*HEADER    HYDROLASE                               08-JUN-10   2KYT              
*TITLE     SOLUTION STRUTURE OF THE H-REV107 N-TERMINAL DOMAIN                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GROUP XVI PHOSPHOLIPASE A2;                                
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: UNP RESIDUES 1-125;                                        
*COMPND   5 SYNONYM: ADIPOSE-SPECIFIC PHOSPHOLIPASE A2, ADPLA, HRAS-LIKE         
*COMPND   6 SUPPRESSOR 3, H-REV 107 PROTEIN HOMOLOG, HREV107-3, RENAL CARCINOMA  
*COMPND   7 ANTIGEN NY-REN-65;                                                   
*COMPND   8 EC: 3.1.1.4;                                                         
*COMPND   9 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   3 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   4 ORGANISM_TAXID: 9606;                                                
*SOURCE   5 GENE: PLA2G16, HRASLS3, HREV107;                                     
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3);                                 
*SOURCE   9 EXPRESSION_SYSTEM_VECTOR_TYPE: VECTOR;                               
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET24A                                     
*KEYWDS    H-REV107, TUMOR SUPPRESSOR, PHOSPHOLIPASE, N-TERMINAL DOMAIN,         
*KEYWDS   2 HYDROLASE                                                            
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    X.REN, B.XIA                                                          
*REVDAT   1   03-NOV-10 2KYT    0                                                


#
#   55 THR  MG2          55 THR  HB          2.80    (#      0:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 0, nxpk= 20, iat=  -1, 825, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1= 827, 828, 829,
 &end
#
#   92 ILE  QG2          92 ILE  HA          3.50    (#      2:20  Unique         2.34, 3.19 A)
 &rst
  ixpk= 2, nxpk= 20, iat=  -1,1414, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1418,1419,1420,
 &end
#
#   92 ILE  HN           92 ILE  HA          3.50    (#      3:20  Unique         2.73, 2.77 A)
 &rst
  ixpk= 3, nxpk= 20, iat=1412,1414, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 ILE  HB           92 ILE  HA          3.50    (#      4:20  Unique         3.00, 3.01 A)
 &rst
  ixpk= 4, nxpk= 20, iat=1416,1414, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 ILE  HG1-         92 ILE  HA          3.50    (#      5:20  Unique         2.17, 2.73 A)
 &rst
  ixpk= 5, nxpk= 20, iat=  -1,1414, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1422,1423,
 &end
#
#  101 GLY  HN          100 VAL  HA          2.80    (#      6:20  Unique         2.18, 2.27 A)
 &rst
  ixpk= 6, nxpk= 20, iat=1566,1552, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 VAL  HB          100 VAL  HA          3.50    (#      7:20  Unique         1.99, 2.24 A)
 &rst
  ixpk= 7, nxpk= 20, iat= 902,1552, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  100 VAL  MGX         100 VAL  HA          3.50    (#      8:20  Unique         2.10, 3.36 A)
 &rst
  ixpk= 8, nxpk= 20, iat=  -1,1552, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1556,1557,1558,1560,1561,1562,
 &end
#
#  100 VAL  MGY         100 VAL  HA          3.50    (#      9:20  Unique         2.10, 3.36 A)
 &rst
  ixpk= 9, nxpk= 20, iat=  -1,1552, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1556,1557,1558,1560,1561,1562,
 &end
#
#   60 VAL  MGX         100 VAL  HA          3.50    (#     10:20  Unique         2.00, 3.63 A)
 &rst
  ixpk= 10, nxpk= 20, iat=  -1,1552, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#   19 PRO  HB-          19 PRO  HA          2.80    (#     11:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 11, nxpk= 20, iat=  -1, 312, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 309, 310,
 &end
#
#   19 PRO  HB+          19 PRO  HA          3.50    (#     12:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 12, nxpk= 20, iat=  -1, 312, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 309, 310,
 &end
#
#   68 VAL  HN           68 VAL  HA          3.50    (#     13:20  Unique         2.79, 2.84 A)
 &rst
  ixpk= 13, nxpk= 20, iat=1044,1046, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 VAL  HB           68 VAL  HA          3.50    (#     14:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 14, nxpk= 20, iat=1048,1046, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  117 VAL  MGY         117 VAL  HA          3.50    (#     15:20  Unique         2.35, 3.47 A)
 &rst
  ixpk= 15, nxpk= 20, iat=  -1,1821, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1825,1826,1827,1829,1830,1831,
 &end
#
#   93 ILE  HN           93 ILE  HA          4.50    (#     16:20  Unique         2.78, 2.82 A)
 &rst
  ixpk= 16, nxpk= 20, iat=1431,1433, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ILE  HB           93 ILE  HA          3.50    (#     17:20  Unique         3.01, 3.02 A)
 &rst
  ixpk= 17, nxpk= 20, iat=1435,1433, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   96 ALA  MB           93 ILE  HA          3.50    (#     18:20  Unique         2.15, 3.32 A)
 &rst
  ixpk= 18, nxpk= 20, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1495,1496,1497,
 &end
#
#   93 ILE  QG2          93 ILE  HA          3.50    (#     19:20  Unique         2.27, 3.06 A)
 &rst
  ixpk= 19, nxpk= 20, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1437,1438,1439,
 &end
#
#    0 AMB  20-2:20      93 ILE  HA          3.50    (#     20:20  Single Ambig)
 &rst
  ixpk= 20, nxpk= 20, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1444,1445,1446, 478, 479, 480, 482, 483, 484,
 &end
#
#   36 LEU  HG          113 CYS  HA          3.50    (#     21:20  Unique         2.59, 3.18 A)
 &rst
  ixpk= 21, nxpk= 20, iat= 591,1758, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   10 PRO  HB-          10 PRO  HA          3.50    (#     22:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 22, nxpk= 20, iat=  -1, 163, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 160, 161,
 &end
#
#   11 GLY  HN           10 PRO  HA          3.50    (#     23:20  Unique         2.16, 2.21 A)
 &rst
  ixpk= 23, nxpk= 20, iat= 167, 163, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 TYR  HD           10 PRO  HA          3.50    (#     24:20  Unique         2.00, 4.43 A)
 &rst
  ixpk= 24, nxpk= 20, iat=  -1, 163, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 459, 468,
 &end
#
#  117 VAL  HB          117 VAL  HA          3.50    (#     25:20  Unique         2.41, 2.47 A)
 &rst
  ixpk= 25, nxpk= 20, iat=1823,1821, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  120 LEU  MDY         117 VAL  HA          3.50    (#     26:20  Unique         1.98, 3.68 A)
 &rst
  ixpk= 26, nxpk= 20, iat=  -1,1821, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
#   85 SER  HN           85 SER  HB+         3.50    (#     27:20  Unique         3.02, 3.77 A)
 &rst
  ixpk= 27, nxpk= 20, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1314,1315,
 &end
#
#   85 SER  HA           85 SER  HB+         3.50    (#     28:20  Unique         2.31, 2.63 A)
 &rst
  ixpk= 28, nxpk= 20, iat=1312,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1314,1315,
 &end
#
#   85 SER  HN           85 SER  HB-         3.50    (#     29:20  Unique         3.02, 3.77 A)
 &rst
  ixpk= 29, nxpk= 20, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1314,1315,
 &end
#
#   85 SER  HA           85 SER  HB-         3.50    (#     30:20  Unique         2.31, 2.63 A)
 &rst
  ixpk= 30, nxpk= 20, iat=1312,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1314,1315,
 &end
#
#    0 AMB  20-2:31       0 AMB  20-1:31     3.50    (#     31:20  Double Ambig)
 &rst
  ixpk= 31, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1911,1912,1372,1373,
 igr2=1314,1315,1370,
 &end
#
#   92 ILE  HB           89 CYS  HA          3.50    (#     32:20  Unique         2.38, 2.64 A)
 &rst
  ixpk= 32, nxpk= 20, iat=1416,1370, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 ILE  QD1          89 CYS  HA          3.50    (#     33:20  Unique         1.96, 3.17 A)
 &rst
  ixpk= 33, nxpk= 20, iat=  -1,1370, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1425,1426,1427,
 &end
#
#    7 GLU  HN            6 PRO  HA          3.50    (#     37:20  Unique         3.38, 3.50 A)
 &rst
  ixpk= 37, nxpk= 20, iat= 102,  98, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 PRO  HB+           6 PRO  HA          2.80    (#     39:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 39, nxpk= 20, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  95,  96,
 &end
#
#   39 PRO  HB+          39 PRO  HA          2.80    (#     40:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 40, nxpk= 20, iat=  -1, 637, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 634, 635,
 &end
#
#    6 PRO  HB-           6 PRO  HA          3.50    (#     41:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 41, nxpk= 20, iat=  -1,  98, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  95,  96,
 &end
#
#   59 ILE  QD1          39 PRO  HA          3.50    (#     42:20  Unique         2.22, 3.50 A)
 &rst
  ixpk= 42, nxpk= 20, iat=  -1, 637, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 892, 893, 894,
 &end
#
#   61 LYS  HN           60 VAL  HA          2.80    (#     43:20  Unique         2.15, 2.18 A)
 &rst
  ixpk= 43, nxpk= 20, iat= 914, 900, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   36 LEU  HA           60 VAL  HA          3.50    (#     44:20  Unique         2.53, 2.73 A)
 &rst
  ixpk= 44, nxpk= 20, iat= 586, 900, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 VAL  MGY          60 VAL  HA          3.50    (#     45:20  Unique         2.25, 3.11 A)
 &rst
  ixpk= 45, nxpk= 20, iat=  -1, 900, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#   50 VAL  HB           50 VAL  HA          3.50    (#     46:20  Unique         2.38, 2.62 A)
 &rst
  ixpk= 46, nxpk= 20, iat= 752, 750, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   50 VAL  MGY          50 VAL  HA          2.80    (#     47:20  Unique         2.25, 3.37 A)
 &rst
  ixpk= 47, nxpk= 20, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 754, 755, 756, 758, 759, 760,
 &end
#
#   36 LEU  MDX          60 VAL  HA          3.50    (#     48:20  Unique         2.65, 4.60 A)
 &rst
  ixpk= 48, nxpk= 20, iat=  -1, 900, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 593, 594, 595, 597, 598, 599,
 &end
#
#    9 LYS  HN            8 PRO  HA          3.50    (#     49:20  Unique         2.15, 2.27 A)
 &rst
  ixpk= 49, nxpk= 20, iat= 131, 127, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    8 PRO  HB+           8 PRO  HA          2.80    (#     50:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 50, nxpk= 20, iat=  -1, 127, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 124, 125,
 &end
#
#   76 VAL  MGX           8 PRO  HA          3.50    (#     51:20  Unique         2.08, 4.61 A)
 &rst
  ixpk= 51, nxpk= 20, iat=  -1, 127, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1166,1167,1168,1170,1171,1172,
 &end
#
#    8 PRO  HB-           8 PRO  HA          3.50    (#     52:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 52, nxpk= 20, iat=  -1, 127, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 124, 125,
 &end
#
#   42 VAL  HB           42 VAL  HA          3.50    (#     54:20  Unique         2.46, 2.63 A)
 &rst
  ixpk= 54, nxpk= 20, iat= 671, 669, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   42 VAL  MGY          42 VAL  HA          3.50    (#     55:20  Unique         2.06, 3.36 A)
 &rst
  ixpk= 55, nxpk= 20, iat=  -1, 669, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 673, 674, 675, 677, 678, 679,
 &end
#
#  116 PHE  HN          116 PHE  HA          3.50    (#     57:20  Unique         2.77, 2.81 A)
 &rst
  ixpk= 57, nxpk= 20, iat=1799,1801, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  116 PHE  HB-         116 PHE  HA          3.50    (#     58:20  Unique         2.24, 2.64 A)
 &rst
  ixpk= 58, nxpk= 20, iat=  -1,1801, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1803,1804,
 &end
#
#  116 PHE  HD          116 PHE  HA          3.50    (#     59:20  Unique         2.31, 3.66 A)
 &rst
  ixpk= 59, nxpk= 20, iat=  -1,1801, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1807,1815,
 &end
#
#   35 HIS  HN           34 VAL  HA          3.50    (#     60:20  Unique         2.16, 2.21 A)
 &rst
  ixpk= 60, nxpk= 20, iat= 567, 553, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   62 LYS  HA           34 VAL  HA          3.50    (#     61:20  Unique         1.99, 2.21 A)
 &rst
  ixpk= 61, nxpk= 20, iat= 938, 553, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 VAL  MGX          34 VAL  HA          3.50    (#     62:20  Unique         2.16, 3.15 A)
 &rst
  ixpk= 62, nxpk= 20, iat=  -1, 553, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 557, 558, 559, 561, 562, 563,
 &end
#
#   34 VAL  MGY          34 VAL  HA          3.50    (#     63:20  Unique         2.16, 3.15 A)
 &rst
  ixpk= 63, nxpk= 20, iat=  -1, 553, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 557, 558, 559, 561, 562, 563,
 &end
#
#   90 SER  HB+          90 SER  HA          2.80    (#     64:20  Unique         2.42, 2.80 A)
 &rst
  ixpk= 64, nxpk= 20, iat=  -1,1381, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1383,1384,
 &end
#
#  119 GLU  HG-         124 VAL  HA          3.50    (#     65:20  Unique         2.00, 3.36 A)
 &rst
  ixpk= 65, nxpk= 20, iat=  -1,1937, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1856,1857,
 &end
#
#   91 LYS  HN           90 SER  HA          3.50    (#     66:20  Unique         3.55, 3.56 A)
 &rst
  ixpk= 66, nxpk= 20, iat=1390,1381, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 ALA  HN          124 VAL  HA          2.80    (#     67:20  Unique         2.14, 2.22 A)
 &rst
  ixpk= 67, nxpk= 20, iat=1951,1937, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  124 VAL  HB          124 VAL  HA          3.50    (#     68:20  Unique         2.42, 2.68 A)
 &rst
  ixpk= 68, nxpk= 20, iat=1939,1937, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 VAL  MGX         124 VAL  HA          3.50    (#     69:20  Unique         2.31, 3.33 A)
 &rst
  ixpk= 69, nxpk= 20, iat=  -1,1937, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1941,1942,1943,1945,1946,1947,
 &end
#
#   17 PHE  HN           16 ILE  HA          3.50    (#     70:20  Unique         2.14, 2.18 A)
 &rst
  ixpk= 70, nxpk= 20, iat= 258, 241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 TYR  HA           16 ILE  HA          3.50    (#     71:20  Unique         2.07, 2.73 A)
 &rst
  ixpk= 71, nxpk= 20, iat=1124, 241, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 TYR  HB+          16 ILE  HA          3.50    (#     72:20  Unique         1.89, 2.40 A)
 &rst
  ixpk= 72, nxpk= 20, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1126,1127,
 &end
#
#   16 ILE  QG2          16 ILE  HA          3.50    (#     73:20  Unique         2.17, 3.05 A)
 &rst
  ixpk= 73, nxpk= 20, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 245, 246, 247,
 &end
#
#   66 TYR  HD           66 TYR  HA          3.50    (#     74:20  Unique         2.20, 3.67 A)
 &rst
  ixpk= 74, nxpk= 20, iat=  -1,1013, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1019,1028,
 &end
#
#   66 TYR  HN           66 TYR  HA          3.50    (#     75:20  Unique         2.73, 2.78 A)
 &rst
  ixpk= 75, nxpk= 20, iat=1011,1013, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 TYR  HB-          66 TYR  HA          3.50    (#     76:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 76, nxpk= 20, iat=  -1,1013, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1015,1016,
 &end
#
#   69 ALA  MB           66 TYR  HA          3.50    (#     77:20  Unique         3.58, 4.68 A)
 &rst
  ixpk= 77, nxpk= 20, iat=  -1,1013, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1064,1065,1066,
 &end
#
#   79 LYS  HN           79 LYS  HA          3.50    (#     78:20  Unique         2.78, 2.87 A)
 &rst
  ixpk= 78, nxpk= 20, iat=1204,1206, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:79      79 LYS  HA          3.50    (#     79:20  Single Ambig)
 &rst
  ixpk= 79, nxpk= 20, iat=  -1,1206, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1214,1215,1208,1209,
 &end
#
#   79 LYS  HB+          79 LYS  HA          3.50    (#     80:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 80, nxpk= 20, iat=  -1,1206, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1208,1209,
 &end
#
#   79 LYS  HG-          79 LYS  HA          3.50    (#     81:20  Unique         2.41, 3.28 A)
 &rst
  ixpk= 81, nxpk= 20, iat=  -1,1206, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1211,1212,
 &end
#
#   79 LYS  HG+          79 LYS  HA          4.50    (#     82:20  Unique         2.41, 3.28 A)
 &rst
  ixpk= 82, nxpk= 20, iat=  -1,1206, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1211,1212,
 &end
#
#  115 HIS  HB+         115 HIS  HA          2.80    (#     83:20  Unique         2.37, 2.80 A)
 &rst
  ixpk= 83, nxpk= 20, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1786,1787,
 &end
#
#    0 AMB  20-2:84     115 HIS  HA          3.50    (#     84:20  Single Ambig)
 &rst
  ixpk= 84, nxpk= 20, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1782,1835,
 &end
#
#  118 ASN  HB-         115 HIS  HA          3.50    (#     85:20  Unique         2.37, 3.19 A)
 &rst
  ixpk= 85, nxpk= 20, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1839,1840,
 &end
#
#    0 AMB  20-2:86     111 GLU  HA          3.50    (#     86:20  Single Ambig)
 &rst
  ixpk= 86, nxpk= 20, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1734,1735,1734,1735,
 &end
#
#  111 GLU  HB-         111 GLU  HA          3.50    (#     87:20  Unique         2.39, 2.79 A)
 &rst
  ixpk= 87, nxpk= 20, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1731,1732,
 &end
#
#  111 GLU  HB+         111 GLU  HA          3.50    (#     88:20  Unique         2.39, 2.79 A)
 &rst
  ixpk= 88, nxpk= 20, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1731,1732,
 &end
#
#  105 LEU  HN          104 VAL  HA          2.80    (#     89:20  Unique         2.68, 2.71 A)
 &rst
  ixpk= 89, nxpk= 20, iat=1621,1607, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  104 VAL  MGX         104 VAL  HA          2.80    (#     90:20  Unique         2.49, 3.50 A)
 &rst
  ixpk= 90, nxpk= 20, iat=  -1,1607, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1611,1612,1613,1615,1616,1617,
 &end
#
#  104 VAL  MGY         104 VAL  HA          3.50    (#     91:20  Unique         2.49, 3.50 A)
 &rst
  ixpk= 91, nxpk= 20, iat=  -1,1607, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1611,1612,1613,1615,1616,1617,
 &end
#
#  104 VAL  HB          104 VAL  HA          3.50    (#     92:20  Unique         2.38, 2.43 A)
 &rst
  ixpk= 92, nxpk= 20, iat=1609,1607, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:93     104 VAL  HA          4.50    (#     93:20  Single Ambig)
 &rst
  ixpk= 93, nxpk= 20, iat=  -1,1607, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1628,1625,1626,
 &end
#
#  123 GLY  HN          119 GLU  HA          3.50    (#     94:20  Unique         2.36, 2.65 A)
 &rst
  ixpk= 94, nxpk= 20, iat=1928,1851, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  119 GLU  HG+         119 GLU  HA          3.50    (#     96:20  Unique         2.04, 3.06 A)
 &rst
  ixpk= 96, nxpk= 20, iat=  -1,1851, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1856,1857,
 &end
#
#    0 AMB  20-2:97     119 GLU  HA          2.80    (#     97:20  Single Ambig)
 &rst
  ixpk= 97, nxpk= 20, iat=  -1,1851, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1856,1857,1853,1854,
 &end
#
#   97 GLU  HN           97 GLU  HA          3.50    (#     98:20  Unique         2.83, 2.87 A)
 &rst
  ixpk= 98, nxpk= 20, iat=1501,1503, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 GLU  HG-          97 GLU  HA          3.50    (#     99:20  Unique         2.46, 3.39 A)
 &rst
  ixpk= 99, nxpk= 20, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1508,1509,
 &end
#
#   97 GLU  HG+          97 GLU  HA          3.50    (#    100:20  Unique         2.46, 3.39 A)
 &rst
  ixpk= 100, nxpk= 20, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1508,1509,
 &end
#
#    0 AMB  20-2:101     97 GLU  HA          2.80    (#    101:20  Single Ambig)
 &rst
  ixpk= 101, nxpk= 20, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1505,1506,1505,1506,
 &end
#
#  100 VAL  MGX          97 GLU  HA          2.80    (#    102:20  Unique         2.03, 3.98 A)
 &rst
  ixpk= 102, nxpk= 20, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1556,1557,1558,1560,1561,1562,
 &end
#
#  114 GLU  HG+         114 GLU  HA          3.50    (#    103:20  Unique         2.11, 2.81 A)
 &rst
  ixpk= 103, nxpk= 20, iat=  -1,1769, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1774,1775,
 &end
#
#  117 VAL  MGX         114 GLU  HA          2.80    (#    104:20  Unique         1.97, 3.56 A)
 &rst
  ixpk= 104, nxpk= 20, iat=  -1,1769, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1825,1826,1827,1829,1830,1831,
 &end
#
#  114 GLU  HG-         114 GLU  HA          3.50    (#    105:20  Unique         2.11, 2.81 A)
 &rst
  ixpk= 105, nxpk= 20, iat=  -1,1769, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1774,1775,
 &end
#
#    0 AMB  20-2:106     94 GLN  HA          3.50    (#    106:20  Single Ambig)
 &rst
  ixpk= 106, nxpk= 20, iat=  -1,1452, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1462,1463,1450,
 &end
#
#   94 GLN  HB-          94 GLN  HA          2.80    (#    107:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 107, nxpk= 20, iat=  -1,1452, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1454,1455,
 &end
#
#   94 GLN  HG-          94 GLN  HA          3.50    (#    108:20  Unique         2.32, 3.29 A)
 &rst
  ixpk= 108, nxpk= 20, iat=  -1,1452, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1457,1458,
 &end
#
#   94 GLN  HB+          94 GLN  HA          2.80    (#    109:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 109, nxpk= 20, iat=  -1,1452, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1454,1455,
 &end
#
#   27 TYR  HN           26 ILE  HA          3.50    (#    110:20  Unique         2.14, 2.18 A)
 &rst
  ixpk= 110, nxpk= 20, iat= 451, 434, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 ILE  HG1+         26 ILE  HA          3.50    (#    111:20  Unique         2.01, 2.85 A)
 &rst
  ixpk= 111, nxpk= 20, iat=  -1, 434, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 442, 443,
 &end
#
#    0 AMB  20-2:112     26 ILE  HA          3.50    (#    112:20  Single Ambig)
 &rst
  ixpk= 112, nxpk= 20, iat=  -1, 434, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 436, 215, 216,
 &end
#
#   26 ILE  HG1-         26 ILE  HA          3.50    (#    113:20  Unique         2.01, 2.85 A)
 &rst
  ixpk= 113, nxpk= 20, iat=  -1, 434, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 442, 443,
 &end
#
#    0 AMB  20-2:117      0 AMB  20-1:117    2.80    (#    117:20  Double Ambig)
 &rst
  ixpk= 117, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 645, 646, 785, 786,
 igr2= 643, 783,
 &end
#
#  121 ARG  HB+         121 ARG  HA          3.50    (#    118:20  Unique         2.35, 2.68 A)
 &rst
  ixpk= 118, nxpk= 20, iat=  -1,1885, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1887,1888,
 &end
#
#   92 ILE  QG2         121 ARG  HA          3.50    (#    119:20  Unique         2.05, 4.26 A)
 &rst
  ixpk= 119, nxpk= 20, iat=  -1,1885, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1418,1419,1420,
 &end
#
#   92 ILE  QD1         121 ARG  HA          3.50    (#    120:20  Unique         2.09, 3.90 A)
 &rst
  ixpk= 120, nxpk= 20, iat=  -1,1885, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1425,1426,1427,
 &end
#
#    4 PRO  HD-           5 ILE  HA          5.50    (#    121:20  Unique         4.79, 5.65 A)
 &rst
  ixpk= 121, nxpk= 20, iat=  -1,  71, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  56,  57,
 &end
#
#    0 AMB  20-2:122     49 SER  HA          2.80    (#    122:20  Single Ambig)
 &rst
  ixpk= 122, nxpk= 20, iat=  -1, 739, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 741, 742, 741, 742,
 &end
#
#   98 GLU  HN           98 GLU  HA          3.50    (#    123:20  Unique         2.90, 2.92 A)
 &rst
  ixpk= 123, nxpk= 20, iat=1516,1518, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 GLU  HB+          98 GLU  HA          2.80    (#    124:20  Unique         2.26, 2.76 A)
 &rst
  ixpk= 124, nxpk= 20, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1520,1521,
 &end
#
#   98 GLU  HG+          98 GLU  HA          3.50    (#    125:20  Unique         2.34, 2.97 A)
 &rst
  ixpk= 125, nxpk= 20, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1523,1524,
 &end
#
#   98 GLU  HB-          98 GLU  HA          3.50    (#    126:20  Unique         2.26, 2.76 A)
 &rst
  ixpk= 126, nxpk= 20, iat=  -1,1518, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1520,1521,
 &end
#
#   95 ARG  HN           95 ARG  HA          3.50    (#    127:20  Unique         2.77, 2.82 A)
 &rst
  ixpk= 127, nxpk= 20, iat=1467,1469, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 LEU  HG           95 ARG  HA          4.50    (#    128:20  Unique         3.41, 3.56 A)
 &rst
  ixpk= 128, nxpk= 20, iat=1538,1469, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   95 ARG  HG+          95 ARG  HA          3.50    (#    129:20  Unique         2.19, 3.10 A)
 &rst
  ixpk= 129, nxpk= 20, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1474,1475,
 &end
#
#   71 SER  HB-          71 SER  HA          3.50    (#    130:20  Unique         2.26, 2.76 A)
 &rst
  ixpk= 130, nxpk= 20, iat=  -1,1079, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1081,1082,
 &end
#
#   71 SER  HB+          71 SER  HA          3.50    (#    131:20  Unique         2.26, 2.76 A)
 &rst
  ixpk= 131, nxpk= 20, iat=  -1,1079, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1081,1082,
 &end
#
#   15 GLU  HN           14 ILE  HA          3.50    (#    132:20  Unique         2.16, 2.21 A)
 &rst
  ixpk= 132, nxpk= 20, iat= 224, 207, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:133     14 ILE  HA          3.50    (#    133:20  Single Ambig)
 &rst
  ixpk= 133, nxpk= 20, iat=  -1, 207, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 218, 219, 220, 211, 212, 213,
 &end
#
#   91 LYS  HN           91 LYS  HA          3.50    (#    134:20  Unique         2.74, 2.79 A)
 &rst
  ixpk= 134, nxpk= 20, iat=1390,1392, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   94 GLN  HB-          91 LYS  HA          3.50    (#    135:20  Unique         2.19, 3.41 A)
 &rst
  ixpk= 135, nxpk= 20, iat=  -1,1392, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1454,1455,
 &end
#
#   94 GLN  HB+          91 LYS  HA          3.50    (#    136:20  Unique         2.19, 3.41 A)
 &rst
  ixpk= 136, nxpk= 20, iat=  -1,1392, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1454,1455,
 &end
#
#   91 LYS  HB+          91 LYS  HA          2.80    (#    137:20  Unique         2.51, 2.81 A)
 &rst
  ixpk= 137, nxpk= 20, iat=  -1,1392, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1394,1395,
 &end
#
#   91 LYS  HG-          91 LYS  HA          3.50    (#    138:20  Unique         2.38, 3.19 A)
 &rst
  ixpk= 138, nxpk= 20, iat=  -1,1392, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1397,1398,
 &end
#
#   65 LEU  HB+          65 LEU  HA          3.50    (#    139:20  Unique         2.60, 2.83 A)
 &rst
  ixpk= 139, nxpk= 20, iat=  -1, 994, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 996, 997,
 &end
#
#   65 LEU  MDX          65 LEU  HA          3.50    (#    140:20  Unique         2.19, 3.92 A)
 &rst
  ixpk= 140, nxpk= 20, iat=  -1, 994, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1001,1002,1003,1005,1006,1007,
 &end
#
#    0 AMB  20-2:141     65 LEU  HA          3.50    (#    141:20  Single Ambig)
 &rst
  ixpk= 141, nxpk= 20, iat=  -1, 994, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 541, 542, 543, 545, 546, 547,1050,1051,1052,1054,
      1055,1056,1050,1051,1052,1054,1055,1056,
 &end
#
#   34 VAL  HN           33 VAL  HA          3.50    (#    142:20  Unique         2.19, 2.24 A)
 &rst
  ixpk= 142, nxpk= 20, iat= 551, 537, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 VAL  HN           33 VAL  HA          3.50    (#    143:20  Unique         2.38, 2.79 A)
 &rst
  ixpk= 143, nxpk= 20, iat= 472, 537, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 TYR  HA           33 VAL  HA          3.50    (#    144:20  Unique         2.51, 2.82 A)
 &rst
  ixpk= 144, nxpk= 20, iat= 453, 537, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 VAL  HB           33 VAL  HA          3.50    (#    145:20  Unique         2.33, 2.46 A)
 &rst
  ixpk= 145, nxpk= 20, iat= 539, 537, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 VAL  MGX          33 VAL  HA          3.50    (#    146:20  Unique         2.24, 3.47 A)
 &rst
  ixpk= 146, nxpk= 20, iat=  -1, 537, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 541, 542, 543, 545, 546, 547,
 &end
#
#  120 LEU  HB+         120 LEU  HA          3.50    (#    147:20  Unique         2.27, 2.62 A)
 &rst
  ixpk= 147, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1868,1869,
 &end
#
#  120 LEU  HG          120 LEU  HA          3.50    (#    148:20  Unique         3.37, 3.50 A)
 &rst
  ixpk= 148, nxpk= 20, iat=1871,1866, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  120 LEU  MDX         120 LEU  HA          3.50    (#    149:20  Unique         2.23, 4.03 A)
 &rst
  ixpk= 149, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
#   18 ARG  HN           17 PHE  HA          3.50    (#    150:20  Unique         2.15, 2.17 A)
 &rst
  ixpk= 150, nxpk= 20, iat= 278, 260, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 PHE  HB-          17 PHE  HA          2.80    (#    151:20  Unique         2.34, 2.79 A)
 &rst
  ixpk= 151, nxpk= 20, iat=  -1, 260, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 262, 263,
 &end
#
#   67 ASP  HN           67 ASP  HA          3.50    (#    152:20  Unique         2.85, 2.91 A)
 &rst
  ixpk= 152, nxpk= 20, iat=1032,1034, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 ASN  HB-         118 ASN  HA          3.50    (#    153:20  Unique         2.56, 2.84 A)
 &rst
  ixpk= 153, nxpk= 20, iat=  -1,1837, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1839,1840,
 &end
#
#    0 AMB  20-2:154     67 ASP  HA          2.80    (#    154:20  Single Ambig)
 &rst
  ixpk= 154, nxpk= 20, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1036,1037,1036,1037,
 &end
#
#   42 VAL  HN           41 GLU  HA          3.50    (#    155:20  Unique         2.14, 2.29 A)
 &rst
  ixpk= 155, nxpk= 20, iat= 667, 654, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   41 GLU  HB-          41 GLU  HA          3.50    (#    157:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 157, nxpk= 20, iat=  -1, 654, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 656, 657,
 &end
#
#   41 GLU  HB+          41 GLU  HA          3.50    (#    158:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 158, nxpk= 20, iat=  -1, 654, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 656, 657,
 &end
#
#   83 LYS  HB+          83 LYS  HA          2.80    (#    159:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 159, nxpk= 20, iat=  -1,1269, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1271,1272,
 &end
#
#   51 MET  HB+          51 MET  HA          3.50    (#    160:20  Unique         2.37, 2.75 A)
 &rst
  ixpk= 160, nxpk= 20, iat=  -1, 766, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 768, 769,
 &end
#
#  102 GLN  HG-         102 GLN  HA          3.50    (#    161:20  Unique         2.18, 3.27 A)
 &rst
  ixpk= 161, nxpk= 20, iat=  -1,1575, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1580,1581,
 &end
#
#  103 GLU  HN          102 GLN  HA          2.80    (#    162:20  Unique         2.38, 2.46 A)
 &rst
  ixpk= 162, nxpk= 20, iat=1590,1575, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  102 GLN  HB+         102 GLN  HA          2.80    (#    163:20  Unique         2.27, 2.63 A)
 &rst
  ixpk= 163, nxpk= 20, iat=  -1,1575, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1577,1578,
 &end
#
#   73 LYS  HB-          73 LYS  HA          2.80    (#    164:20  Unique         2.32, 2.65 A)
 &rst
  ixpk= 164, nxpk= 20, iat=  -1,1102, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1104,1105,
 &end
#
#   73 LYS  HG-          73 LYS  HA          3.50    (#    165:20  Unique         2.06, 3.24 A)
 &rst
  ixpk= 165, nxpk= 20, iat=  -1,1102, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1107,1108,
 &end
#
#   73 LYS  HN           73 LYS  HA          3.50    (#    166:20  Unique         2.28, 2.84 A)
 &rst
  ixpk= 166, nxpk= 20, iat=1100,1102, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 TYR  HN           73 LYS  HA          2.80    (#    167:20  Unique         2.14, 2.35 A)
 &rst
  ixpk= 167, nxpk= 20, iat=1122,1102, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   25 ALA  HN           24 TRP  HA          2.80    (#    168:20  Unique         2.19, 2.22 A)
 &rst
  ixpk= 168, nxpk= 20, iat= 422, 400, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   24 TRP  HB-          24 TRP  HA          3.50    (#    169:20  Unique         2.67, 2.83 A)
 &rst
  ixpk= 169, nxpk= 20, iat=  -1, 400, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 402, 403,
 &end
#
#    0 AMB  20-2:170      0 AMB  20-1:170    2.80    (#    170:20  Double Ambig)
 &rst
  ixpk= 170, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1683,1751,1752,
 igr2=1685,1663,
 &end
#
#  107 LYS  HN          107 LYS  HA          3.50    (#    171:20  Unique         2.80, 2.83 A)
 &rst
  ixpk= 171, nxpk= 20, iat=1661,1663, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  107 LYS  HB+         107 LYS  HA          2.80    (#    172:20  Unique         2.29, 2.77 A)
 &rst
  ixpk= 172, nxpk= 20, iat=  -1,1663, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1665,1666,
 &end
#
#    0 AMB  20-2:173      0 AMB  20-1:173    3.50    (#    173:20  Double Ambig)
 &rst
  ixpk= 173, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1668,1669,1690,
 igr2=1663,1685,
 &end
#
#  108 LEU  HB+         108 LEU  HA          3.50    (#    174:20  Unique         2.32, 2.78 A)
 &rst
  ixpk= 174, nxpk= 20, iat=  -1,1685, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1687,1688,
 &end
#
#  108 LEU  MDX         108 LEU  HA          3.50    (#    175:20  Unique         1.96, 3.68 A)
 &rst
  ixpk= 175, nxpk= 20, iat=  -1,1685, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1692,1693,1694,1696,1697,1698,
 &end
#
#  109 THR  HN          108 LEU  HA          3.50    (#    176:20  Unique         2.14, 2.37 A)
 &rst
  ixpk= 176, nxpk= 20, iat=1702,1685, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   57 LYS  HB-          57 LYS  HA          3.50    (#    177:20  Unique         2.34, 2.68 A)
 &rst
  ixpk= 177, nxpk= 20, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 851, 852,
 &end
#
#   57 LYS  HB+          57 LYS  HA          3.50    (#    178:20  Unique         2.34, 2.68 A)
 &rst
  ixpk= 178, nxpk= 20, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 851, 852,
 &end
#
#    0 AMB  20-2:179     57 LYS  HA          3.50    (#    179:20  Single Ambig)
 &rst
  ixpk= 179, nxpk= 20, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 854, 855, 854, 855,
 &end
#
#  106 TYR  HN          106 TYR  HA          3.50    (#    180:20  Unique         2.82, 2.91 A)
 &rst
  ixpk= 180, nxpk= 20, iat=1640,1642, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  106 TYR  HB+         106 TYR  HA          3.50    (#    181:20  Unique         2.35, 2.48 A)
 &rst
  ixpk= 181, nxpk= 20, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1644,1645,
 &end
#
#   30 ASP  HB+          30 ASP  HA          3.50    (#    182:20  Unique         2.33, 2.78 A)
 &rst
  ixpk= 182, nxpk= 20, iat=  -1, 497, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 499, 500,
 &end
#
#   54 LEU  MDX          54 LEU  HA          3.50    (#    184:20  Unique         2.03, 3.91 A)
 &rst
  ixpk= 184, nxpk= 20, iat=  -1, 804, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 811, 812, 813, 815, 816, 817,
 &end
#
#   99 LEU  HG           99 LEU  HA          3.50    (#    185:20  Unique         2.81, 3.19 A)
 &rst
  ixpk= 185, nxpk= 20, iat=1538,1533, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:186     96 ALA  HA          3.50    (#    186:20  Single Ambig)
 &rst
  ixpk= 186, nxpk= 20, iat=  -1,1493, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1491,1501,
 &end
#
#   96 ALA  MB           96 ALA  HA          2.80    (#    187:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 187, nxpk= 20, iat=  -1,1493, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1495,1496,1497,
 &end
#
#   99 LEU  MDY          96 ALA  HA          3.50    (#    188:20  Unique         1.99, 5.48 A)
 &rst
  ixpk= 188, nxpk= 20, iat=  -1,1493, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1540,1541,1542,1544,1545,1546,
 &end
#
#  120 LEU  MDX          96 ALA  HA          3.50    (#    189:20  Unique         2.02, 3.72 A)
 &rst
  ixpk= 189, nxpk= 20, iat=  -1,1493, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
#  120 LEU  MDY          96 ALA  HA          3.50    (#    190:20  Unique         2.02, 3.72 A)
 &rst
  ixpk= 190, nxpk= 20, iat=  -1,1493, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
#  112 ASN  HN          112 ASN  HA          3.50    (#    191:20  Unique         2.76, 2.82 A)
 &rst
  ixpk= 191, nxpk= 20, iat=1742,1744, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  115 HIS  HB+         112 ASN  HA          3.50    (#    192:20  Unique         2.29, 2.87 A)
 &rst
  ixpk= 192, nxpk= 20, iat=  -1,1744, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1786,1787,
 &end
#
#  112 ASN  HB-         112 ASN  HA          3.50    (#    193:20  Unique         2.49, 2.81 A)
 &rst
  ixpk= 193, nxpk= 20, iat=  -1,1744, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1746,1747,
 &end
#
#  112 ASN  HB+         112 ASN  HA          3.50    (#    194:20  Unique         2.49, 2.81 A)
 &rst
  ixpk= 194, nxpk= 20, iat=  -1,1744, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1746,1747,
 &end
#
#   99 LEU  HB-          99 LEU  HA          3.50    (#    195:20  Unique         2.38, 2.72 A)
 &rst
  ixpk= 195, nxpk= 20, iat=  -1,1533, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1535,1536,
 &end
#
#   99 LEU  MDX          99 LEU  HA          3.50    (#    196:20  Unique         1.99, 3.83 A)
 &rst
  ixpk= 196, nxpk= 20, iat=  -1,1533, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1540,1541,1542,1544,1545,1546,
 &end
#
#   99 LEU  HN           99 LEU  HA          3.50    (#    197:20  Unique         2.92, 2.93 A)
 &rst
  ixpk= 197, nxpk= 20, iat=1531,1533, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:198     99 LEU  HA          3.50    (#    198:20  Single Ambig)
 &rst
  ixpk= 198, nxpk= 20, iat=  -1,1533, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1580,1581,1523,1524,
 &end
#
#   32 TYR  HA           64 LEU  HA          3.50    (#    199:20  Unique         2.21, 2.57 A)
 &rst
  ixpk= 199, nxpk= 20, iat= 516, 975, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 LEU  HN           64 LEU  HA          3.50    (#    200:20  Unique         2.14, 2.14 A)
 &rst
  ixpk= 200, nxpk= 20, iat= 992, 975, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   64 LEU  MDX          64 LEU  HA          3.50    (#    201:20  Unique         1.96, 3.81 A)
 &rst
  ixpk= 201, nxpk= 20, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 982, 983, 984, 986, 987, 988,
 &end
#
#   69 ALA  MB           69 ALA  HA          2.80    (#    202:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 202, nxpk= 20, iat=  -1,1062, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1064,1065,1066,
 &end
#
#   16 ILE  QG2          69 ALA  HA          3.50    (#    203:20  Unique         2.05, 3.91 A)
 &rst
  ixpk= 203, nxpk= 20, iat=  -1,1062, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 245, 246, 247,
 &end
#
#    0 AMB  20-2:204      0 AMB  20-1:204    3.50    (#    204:20  Double Ambig)
 &rst
  ixpk= 204, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 252, 253, 254,1873,1874,1875,1877,1878,1879,
 igr2=1062,1493,
 &end
#
#   69 ALA  HN           69 ALA  HA          3.50    (#    205:20  Unique         2.73, 2.78 A)
 &rst
  ixpk= 205, nxpk= 20, iat=1060,1062, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   75 GLN  HN           74 TYR  HA          3.50    (#    206:20  Unique         2.24, 2.41 A)
 &rst
  ixpk= 206, nxpk= 20, iat=1143,1124, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 ILE  HA           74 TYR  HA          3.50    (#    207:20  Unique         2.07, 2.73 A)
 &rst
  ixpk= 207, nxpk= 20, iat= 241,1124, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 TYR  HB+          74 TYR  HA          2.80    (#    208:20  Unique         2.32, 2.46 A)
 &rst
  ixpk= 208, nxpk= 20, iat=  -1,1124, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1126,1127,
 &end
#
#   63 GLU  HN           62 LYS  HA          2.80    (#    209:20  Unique         2.14, 2.15 A)
 &rst
  ixpk= 209, nxpk= 20, iat= 958, 938, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   62 LYS  HB+          62 LYS  HA          3.50    (#    210:20  Unique         2.37, 2.71 A)
 &rst
  ixpk= 210, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 940, 941,
 &end
#
#   34 VAL  HA           62 LYS  HA          3.50    (#    211:20  Unique         1.99, 2.21 A)
 &rst
  ixpk= 211, nxpk= 20, iat= 553, 938, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 VAL  MGY          62 LYS  HA          3.50    (#    212:20  Unique         2.61, 4.32 A)
 &rst
  ixpk= 212, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 557, 558, 559, 561, 562, 563,
 &end
#
#   24 TRP  HN           23 HIS  HA          3.50    (#    213:20  Unique         2.14, 2.16 A)
 &rst
  ixpk= 213, nxpk= 20, iat= 398, 383, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 HIS  HB+          23 HIS  HA          3.50    (#    214:20  Unique         2.56, 2.84 A)
 &rst
  ixpk= 214, nxpk= 20, iat=  -1, 383, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 385, 386,
 &end
#
#   57 LYS  HN           56 ASP  HA          3.50    (#    215:20  Unique         2.48, 2.68 A)
 &rst
  ixpk= 215, nxpk= 20, iat= 847, 837, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:216     56 ASP  HA          2.80    (#    216:20  Single Ambig)
 &rst
  ixpk= 216, nxpk= 20, iat=  -1, 837, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 839, 840, 839, 840,
 &end
#
#    0 AMB  20-2:217      0 AMB  20-1:217    3.50    (#    217:20  Double Ambig)
 &rst
  ixpk= 217, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 102,1621,
 igr2= 104,1623,
 &end
#
#    0 AMB  20-2:218    105 LEU  HA          2.80    (#    218:20  Single Ambig)
 &rst
  ixpk= 218, nxpk= 20, iat=  -1,1623, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1625,1626,1628,
 &end
#
#  105 LEU  MDY         105 LEU  HA          3.50    (#    219:20  Unique         2.00, 3.17 A)
 &rst
  ixpk= 219, nxpk= 20, iat=  -1,1623, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1630,1631,1632,1634,1635,1636,
 &end
#
#   15 GLU  HG+          15 GLU  HA          3.50    (#    220:20  Unique         2.19, 3.06 A)
 &rst
  ixpk= 220, nxpk= 20, iat=  -1, 226, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 231, 232,
 &end
#
#   16 ILE  HN           15 GLU  HA          2.80    (#    221:20  Unique         2.14, 2.15 A)
 &rst
  ixpk= 221, nxpk= 20, iat= 239, 226, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    6 PRO  HD+           7 GLU  HA          5.50    (#    222:20  Unique         4.74, 5.77 A)
 &rst
  ixpk= 222, nxpk= 20, iat=  -1, 104, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  89,  90,
 &end
#
#    8 PRO  HD+           7 GLU  HA          3.50    (#    223:20  Unique         2.08, 2.81 A)
 &rst
  ixpk= 223, nxpk= 20, iat=  -1, 104, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 118, 119,
 &end
#
#    0 AMB  20-2:225     87 LEU  HA          5.50    (#    225:20  Single Ambig)
 &rst
  ixpk= 225, nxpk= 20, iat=  -1,1337, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1322,1323,1414,
 &end
#
#    0 AMB  20-2:226     87 LEU  HA          3.50    (#    226:20  Single Ambig)
 &rst
  ixpk= 226, nxpk= 20, iat=  -1,1337, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1=1339,1340,1397,1398,1342,
 &end
#
#   87 LEU  MDX          87 LEU  HA          3.50    (#    227:20  Unique         1.96, 3.86 A)
 &rst
  ixpk= 227, nxpk= 20, iat=  -1,1337, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1344,1345,1346,1348,1349,1350,
 &end
#
#    0 AMB  20-2:228     36 LEU  HA          3.50    (#    228:20  Single Ambig)
 &rst
  ixpk= 228, nxpk= 20, iat=  -1, 586, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 588, 589, 904, 905, 906, 908, 909, 910,
 &end
#
#  125 ALA  HN          125 ALA  HA          3.50    (#    229:20  Unique         2.28, 2.81 A)
 &rst
  ixpk= 229, nxpk= 20, iat=1951,1953, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  125 ALA  MB          125 ALA  HA          3.50    (#    230:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 230, nxpk= 20, iat=  -1,1953, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1955,1956,1957,
 &end
#
#    0 AMB  20-2:231      0 AMB  20-1:231    2.80    (#    231:20  Double Ambig)
 &rst
  ixpk= 231, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1= 704, 705, 706, 731, 732, 733, 687, 688, 689,
 igr2= 702, 729, 685,
 &end
#
#   79 LYS  HN           78 ASN  HA          3.50    (#    232:20  Unique         2.14, 2.19 A)
 &rst
  ixpk= 232, nxpk= 20, iat=1204,1192, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:233     78 ASN  HA          3.50    (#    233:20  Single Ambig)
 &rst
  ixpk= 233, nxpk= 20, iat=  -1,1192, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 190, 191,1194,1195,
 &end
#
#   13 LEU  HG           78 ASN  HA          3.50    (#    234:20  Unique         2.92, 3.45 A)
 &rst
  ixpk= 234, nxpk= 20, iat= 193,1192, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:235      0 AMB  20-1:235    3.50    (#    235:20  Double Ambig)
 &rst
  ixpk= 235, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=  65,  71,
 igr2=  56,  57,  56,  57,
 &end
#
#   59 ILE  HN           58 ALA  HA          2.80    (#    237:20  Unique         2.53, 2.65 A)
 &rst
  ixpk= 237, nxpk= 20, iat= 879, 871, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   58 ALA  HN           58 ALA  HA          3.50    (#    238:20  Unique         2.90, 2.93 A)
 &rst
  ixpk= 238, nxpk= 20, iat= 869, 871, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   38 PRO  HA           58 ALA  HA          3.50    (#    239:20  Unique         2.77, 3.01 A)
 &rst
  ixpk= 239, nxpk= 20, iat= 623, 871, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   39 PRO  HD+          58 ALA  HA          3.50    (#    240:20  Unique         1.98, 3.01 A)
 &rst
  ixpk= 240, nxpk= 20, iat=  -1, 871, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 628, 629,
 &end
#
#    0 AMB  20-2:241     58 ALA  HA          2.80    (#    241:20  Single Ambig)
 &rst
  ixpk= 241, nxpk= 20, iat=  -1, 871, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 873, 874, 875,1692,1693,1694,1696,1697,1698,
 &end
#
#   10 PRO  HG+          10 PRO  HD+         3.50    (#    246:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 246, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 157, 158,
 igr2= 154, 155,
 &end
#
#   10 PRO  HG+          10 PRO  HD-         3.50    (#    249:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 249, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 157, 158,
 igr2= 154, 155,
 &end
#
#    4 PRO  HG+           4 PRO  HD+         2.80    (#    250:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 250, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  59,  60,
 igr2=  56,  57,
 &end
#
#    4 PRO  HG+           4 PRO  HD-         2.80    (#    251:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 251, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=  59,  60,
 igr2=  56,  57,
 &end
#
#    3 ALA  MB            3 ALA  HA          3.50    (#    254:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 254, nxpk= 20, iat=  -1,  47, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=  49,  50,  51,
 &end
#
#    5 ILE  HA            6 PRO  HD+         2.80    (#    255:20  Unique         2.16, 2.67 A)
 &rst
  ixpk= 255, nxpk= 20, iat=  71,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=  89,  90,
 &end
#
#    0 AMB  20-2:256      0 AMB  20-1:256    3.50    (#    256:20  Double Ambig)
 &rst
  ixpk= 256, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 104,  71,
 igr2= 118, 119, 118, 119,
 &end
#
#    6 PRO  HD+           8 PRO  HD+         3.50    (#    257:20  Unique         3.40, 4.82 A)
 &rst
  ixpk= 257, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  89,  90,
 igr2= 118, 119,
 &end
#
#    6 PRO  HD+           8 PRO  HD-         3.50    (#    258:20  Unique         3.40, 4.82 A)
 &rst
  ixpk= 258, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  89,  90,
 igr2= 118, 119,
 &end
#
#    5 ILE  HB            6 PRO  HD-         4.50    (#    262:20  Unique         4.45, 4.81 A)
 &rst
  ixpk= 262, nxpk= 20, iat=  73,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=  89,  90,
 &end
#
#   38 PRO  HA           39 PRO  HD+         3.50    (#    263:20  Unique         2.30, 2.39 A)
 &rst
  ixpk= 263, nxpk= 20, iat= 623,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 628, 629,
 &end
#
#    7 GLU  HG-           6 PRO  HD+         4.50    (#    267:20  Unique         4.36, 6.08 A)
 &rst
  ixpk= 267, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 109, 110,
 igr2=  89,  90,
 &end
#
#   37 ALA  MB           38 PRO  HD+         3.50    (#    268:20  Unique         1.99, 3.37 A)
 &rst
  ixpk= 268, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 607, 608, 609,
 igr2= 614, 615,
 &end
#
#    0 AMB  20-2:270      0 AMB  20-1:270    2.80    (#    270:20  Double Ambig)
 &rst
  ixpk= 270, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
 igr1=  59,  60, 631, 632,  92,  93, 617, 618,
 igr2=  89,  90, 628, 629,  89,  90, 614, 615,
 &end
#
#   37 ALA  MB           38 PRO  HD-         3.50    (#    273:20  Unique         1.99, 3.37 A)
 &rst
  ixpk= 273, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 607, 608, 609,
 igr2= 614, 615,
 &end
#
#   38 PRO  HG-          38 PRO  HD-         2.80    (#    275:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 275, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 617, 618,
 igr2= 614, 615,
 &end
#
#    0 AMB  20-2:280      0 AMB  20-1:280    3.50    (#    280:20  Double Ambig)
 &rst
  ixpk= 280, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1293,1294,1325,1326,
 igr2=1322,1323,1322,1323,
 &end
#
#   87 LEU  HA           86 PRO  HD-         5.50    (#    282:20  Unique         5.10, 5.99 A)
 &rst
  ixpk= 282, nxpk= 20, iat=1337,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1322,1323,
 &end
#
#    0 AMB  20-2:284     86 PRO  HD-         3.50    (#    284:20  Single Ambig)
 &rst
  ixpk= 284, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1293,1294,1325,1326,
 igr2=1322,1323,
 &end
#
#   70 GLY  HN           70 GLY  HA-         3.50    (#    285:20  Unique         2.29, 2.66 A)
 &rst
  ixpk= 285, nxpk= 20, iat=1070,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1072,1073,
 &end
#
#   70 GLY  HN           70 GLY  HA+         3.50    (#    288:20  Unique         2.29, 2.66 A)
 &rst
  ixpk= 288, nxpk= 20, iat=1070,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1072,1073,
 &end
#
#  123 GLY  HN          123 GLY  HA+         3.50    (#    289:20  Unique         2.51, 2.79 A)
 &rst
  ixpk= 289, nxpk= 20, iat=1928,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1930,1931,
 &end
#
#   92 ILE  QG2          11 GLY  HA-         3.50    (#    291:20  Unique         1.97, 3.23 A)
 &rst
  ixpk= 291, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1418,1419,1420,
 igr2= 169, 170,
 &end
#
#   31 GLY  HN           31 GLY  HA-         3.50    (#    292:20  Unique         2.30, 2.72 A)
 &rst
  ixpk= 292, nxpk= 20, iat= 507,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 509, 510,
 &end
#
#   31 GLY  HN           31 GLY  HA+         3.50    (#    294:20  Unique         2.30, 2.72 A)
 &rst
  ixpk= 294, nxpk= 20, iat= 507,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 509, 510,
 &end
#
#   92 ILE  QG2          11 GLY  HA+         3.50    (#    296:20  Unique         1.97, 3.23 A)
 &rst
  ixpk= 296, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1418,1419,1420,
 igr2= 169, 170,
 &end
#
#  101 GLY  HN          101 GLY  HA+         3.50    (#    297:20  Unique         2.30, 2.63 A)
 &rst
  ixpk= 297, nxpk= 20, iat=1566,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1568,1569,
 &end
#
#  101 GLY  HN          101 GLY  HA-         3.50    (#    299:20  Unique         2.30, 2.63 A)
 &rst
  ixpk= 299, nxpk= 20, iat=1566,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1568,1569,
 &end
#
#   60 VAL  MGY          99 LEU  HB-         4.50    (#    302:20  Unique         2.65, 4.86 A)
 &rst
  ixpk= 302, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 904, 905, 906, 908, 909, 910,
 igr2=1535,1536,
 &end
#
#   99 LEU  HG           99 LEU  HB-         3.50    (#    303:20  Unique         2.36, 2.73 A)
 &rst
  ixpk= 303, nxpk= 20, iat=1538,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1535,1536,
 &end
#
#   60 VAL  MGX          99 LEU  HB+         3.50    (#    305:20  Unique         2.65, 4.86 A)
 &rst
  ixpk= 305, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 904, 905, 906, 908, 909, 910,
 igr2=1535,1536,
 &end
#
#   95 ARG  HG-          95 ARG  HD+         3.50    (#    310:20  Unique         2.22, 2.71 A)
 &rst
  ixpk= 310, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1474,1475,
 igr2=1477,1478,
 &end
#
#   95 ARG  HA           95 ARG  HD+         3.50    (#    311:20  Unique         2.15, 3.32 A)
 &rst
  ixpk= 311, nxpk= 20, iat=1469,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1477,1478,
 &end
#
#   95 ARG  HG-          95 ARG  HD-         3.50    (#    314:20  Unique         2.22, 2.71 A)
 &rst
  ixpk= 314, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1474,1475,
 igr2=1477,1478,
 &end
#
#   26 ILE  QG2          26 ILE  HB          3.50    (#    316:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 316, nxpk= 20, iat=  -1, 436, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 438, 439, 440,
 &end
#
#   26 ILE  HA           26 ILE  HB          3.50    (#    317:20  Unique         2.40, 2.52 A)
 &rst
  ixpk= 317, nxpk= 20, iat= 434, 436, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  117 VAL  HB           26 ILE  HB          4.50    (#    318:20  Unique         1.97, 2.73 A)
 &rst
  ixpk= 318, nxpk= 20, iat=1823, 436, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  117 VAL  MGY          26 ILE  HB          3.50    (#    319:20  Unique         1.97, 4.06 A)
 &rst
  ixpk= 319, nxpk= 20, iat=  -1, 436, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1825,1826,1827,1829,1830,1831,
 &end
#
#    0 AMB  20-2:320     26 ILE  HB          2.80    (#    320:20  Single Ambig)
 &rst
  ixpk= 320, nxpk= 20, iat=  -1, 436, r1= 0.00, r2= 1.80, r3= 3.66, r4= 4.41,
 igr1= 445, 446, 447, 442, 443,
 &end
#
#    9 LYS  HD+           9 LYS  HE+         2.80    (#    321:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 321, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 141, 142,
 igr2= 144, 145,
 &end
#
#    9 LYS  HG+           9 LYS  HE+         3.50    (#    322:20  Unique         2.07, 3.06 A)
 &rst
  ixpk= 322, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 138, 139,
 igr2= 144, 145,
 &end
#
#    0 AMB  20-2:323      0 AMB  20-1:323    3.50    (#    323:20  Double Ambig)
 &rst
  ixpk= 323, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 211, 212, 213, 124, 125,
 igr2=1126,1127, 178, 179,
 &end
#
#   54 LEU  MDY          54 LEU  HB+         3.50    (#    324:20  Unique         2.00, 3.31 A)
 &rst
  ixpk= 324, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 811, 812, 813, 815, 816, 817,
 igr2= 806, 807,
 &end
#
#    0 AMB  20-2:328      0 AMB  20-1:328    3.50    (#    328:20  Double Ambig)
 &rst
  ixpk= 328, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1397,1398,1668,1669,
 igr2=1403,1404,1674,1675,
 &end
#
#   61 LYS  HD+          61 LYS  HE-         3.50    (#    329:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 329, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 924, 925,
 igr2= 927, 928,
 &end
#
#   54 LEU  HA           54 LEU  HB+         3.50    (#    332:20  Unique         2.30, 2.72 A)
 &rst
  ixpk= 332, nxpk= 20, iat= 804,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 806, 807,
 &end
#
#   54 LEU  HA           54 LEU  HB-         3.50    (#    333:20  Unique         2.30, 2.72 A)
 &rst
  ixpk= 333, nxpk= 20, iat= 804,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 806, 807,
 &end
#
#   73 LYS  HG-          72 ASP  HB-         3.50    (#    337:20  Unique         2.52, 5.47 A)
 &rst
  ixpk= 337, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1107,1108,
 igr2=1092,1093,
 &end
#
#   62 LYS  HD-          62 LYS  HE+         3.50    (#    341:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 341, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 946, 947,
 igr2= 949, 950,
 &end
#
#   28 VAL  MGY          62 LYS  HE+         3.50    (#    342:20  Unique         2.06, 4.80 A)
 &rst
  ixpk= 342, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 478, 479, 480, 482, 483, 484,
 igr2= 949, 950,
 &end
#
#   62 LYS  HD-          62 LYS  HE-         3.50    (#    344:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 344, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 946, 947,
 igr2= 949, 950,
 &end
#
#   59 ILE  HG1+         59 ILE  HB          3.50    (#    345:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 345, nxpk= 20, iat=  -1, 883, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 889, 890,
 &end
#
#   59 ILE  QG2          59 ILE  HB          2.80    (#    346:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 346, nxpk= 20, iat=  -1, 883, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 885, 886, 887,
 &end
#
#   59 ILE  HN           59 ILE  HB          4.50    (#    347:20  Unique         2.67, 3.84 A)
 &rst
  ixpk= 347, nxpk= 20, iat= 879, 883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 ILE  HA           59 ILE  HB          3.50    (#    348:20  Unique         2.35, 2.42 A)
 &rst
  ixpk= 348, nxpk= 20, iat= 881, 883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 ILE  HG1-         59 ILE  HB          2.80    (#    349:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 349, nxpk= 20, iat=  -1, 883, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 889, 890,
 &end
#
#   84 TYR  HA           84 TYR  HB-         3.50    (#    352:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 352, nxpk= 20, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1293,1294,
 &end
#
#   83 LYS  HD+          83 LYS  HE+         3.50    (#    353:20  Unique         2.22, 2.70 A)
 &rst
  ixpk= 353, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1277,1278,
 igr2=1280,1281,
 &end
#
#   83 LYS  HD+          83 LYS  HE-         3.50    (#    354:20  Unique         2.22, 2.70 A)
 &rst
  ixpk= 354, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1277,1278,
 igr2=1280,1281,
 &end
#
#    0 AMB  20-2:355      0 AMB  20-1:355    3.50    (#    355:20  Double Ambig)
 &rst
  ixpk= 355, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 837,1642,
 igr2= 839, 840, 839, 840, 839, 840,
 &end
#
#    0 AMB  20-2:356      0 AMB  20-1:356    3.50    (#    356:20  Double Ambig)
 &rst
  ixpk= 356, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 837,1642,
 igr2= 839, 840, 839, 840, 839, 840,
 &end
#
#   64 LEU  MDY          64 LEU  HB+         3.50    (#    359:20  Unique         2.03, 3.28 A)
 &rst
  ixpk= 359, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 982, 983, 984, 986, 987, 988,
 igr2= 977, 978,
 &end
#
#   64 LEU  HG           64 LEU  HB-         3.50    (#    362:20  Unique         2.30, 2.74 A)
 &rst
  ixpk= 362, nxpk= 20, iat= 980,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 977, 978,
 &end
#
#    0 AMB  20-2:363      0 AMB  20-1:363    3.50    (#    363:20  Double Ambig)
 &rst
  ixpk= 363, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 541, 542, 543, 545, 546, 547, 982, 983, 984, 986,
       987, 988,1344,1345,1346,1348,1349,1350,
 igr2= 996, 997, 977, 978,1339,1340,
 &end
#
#  108 LEU  HA          108 LEU  HB-         3.50    (#    366:20  Unique         2.32, 2.78 A)
 &rst
  ixpk= 366, nxpk= 20, iat=1685,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1687,1688,
 &end
#
#  108 LEU  HG          108 LEU  HB-         3.50    (#    367:20  Unique         2.30, 2.66 A)
 &rst
  ixpk= 367, nxpk= 20, iat=1690,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1687,1688,
 &end
#
#  108 LEU  HN          108 LEU  HB+         3.50    (#    369:20  Unique         2.10, 2.98 A)
 &rst
  ixpk= 369, nxpk= 20, iat=1683,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1687,1688,
 &end
#
#  108 LEU  HG          108 LEU  HB+         3.50    (#    371:20  Unique         2.30, 2.66 A)
 &rst
  ixpk= 371, nxpk= 20, iat=1690,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1687,1688,
 &end
#
#  108 LEU  MDX         108 LEU  HB+         3.50    (#    372:20  Unique         2.00, 3.33 A)
 &rst
  ixpk= 372, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1692,1693,1694,1696,1697,1698,
 igr2=1687,1688,
 &end
#
#  108 LEU  HA          108 LEU  HB+         3.50    (#    373:20  Unique         2.32, 2.78 A)
 &rst
  ixpk= 373, nxpk= 20, iat=1685,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1687,1688,
 &end
#
#  106 TYR  HD          106 TYR  HB-         3.50    (#    374:20  Unique         2.30, 3.05 A)
 &rst
  ixpk= 374, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1648,1657,
 igr2=1644,1645,
 &end
#
#  106 TYR  HA          106 TYR  HB+         3.50    (#    376:20  Unique         2.35, 2.48 A)
 &rst
  ixpk= 376, nxpk= 20, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1644,1645,
 &end
#
#  105 LEU  HN          105 LEU  HB+         3.50    (#    378:20  Unique         2.28, 2.94 A)
 &rst
  ixpk= 378, nxpk= 20, iat=1621,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1625,1626,
 &end
#
#  105 LEU  MDY         105 LEU  HB+         3.50    (#    379:20  Unique         2.27, 3.45 A)
 &rst
  ixpk= 379, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1630,1631,1632,1634,1635,1636,
 igr2=1625,1626,
 &end
#
#  105 LEU  HA          105 LEU  HB+         3.50    (#    380:20  Unique         2.46, 2.82 A)
 &rst
  ixpk= 380, nxpk= 20, iat=1623,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1625,1626,
 &end
#
#  105 LEU  MDX         105 LEU  HB+         2.80    (#    381:20  Unique         2.27, 3.45 A)
 &rst
  ixpk= 381, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1630,1631,1632,1634,1635,1636,
 igr2=1625,1626,
 &end
#
#  106 TYR  HA          106 TYR  HB-         3.50    (#    385:20  Unique         2.35, 2.48 A)
 &rst
  ixpk= 385, nxpk= 20, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1644,1645,
 &end
#
#   81 ASP  HA           81 ASP  HB+         3.50    (#    387:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 387, nxpk= 20, iat=1245,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1247,1248,
 &end
#
#   82 ASP  HA           82 ASP  HB+         2.80    (#    395:20  Unique         2.41, 2.82 A)
 &rst
  ixpk= 395, nxpk= 20, iat=1257,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1259,1260,
 &end
#
#   82 ASP  HN           82 ASP  HB+         3.50    (#    396:20  Unique         2.25, 2.83 A)
 &rst
  ixpk= 396, nxpk= 20, iat=1255,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1259,1260,
 &end
#
#   63 GLU  HA           63 GLU  HG-         3.50    (#    401:20  Unique         2.24, 2.74 A)
 &rst
  ixpk= 401, nxpk= 20, iat= 960,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 965, 966,
 &end
#
#   63 GLU  HB+          63 GLU  HG+         3.50    (#    405:20  Unique         2.26, 2.72 A)
 &rst
  ixpk= 405, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 962, 963,
 igr2= 965, 966,
 &end
#
#    0 AMB  20-2:408      0 AMB  20-1:408    3.50    (#    408:20  Double Ambig)
 &rst
  ixpk= 408, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1185,1186, 459, 468,
 igr2=1180,1181, 455, 456,
 &end
#
#   92 ILE  QG2          92 ILE  HB          3.50    (#    411:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 411, nxpk= 20, iat=  -1,1416, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1418,1419,1420,
 &end
#
#   89 CYS  HA           92 ILE  HB          3.50    (#    412:20  Unique         2.38, 2.64 A)
 &rst
  ixpk= 412, nxpk= 20, iat=1370,1416, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 ILE  QD1          92 ILE  HB          2.80    (#    413:20  Unique         2.11, 2.98 A)
 &rst
  ixpk= 413, nxpk= 20, iat=  -1,1416, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1425,1426,1427,
 &end
#
#    5 ILE  HA            5 ILE  HB          3.50    (#    414:20  Unique         2.52, 2.67 A)
 &rst
  ixpk= 414, nxpk= 20, iat=  71,  73, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   14 ILE  HN           14 ILE  HB          3.50    (#    417:20  Unique         2.55, 2.71 A)
 &rst
  ixpk= 417, nxpk= 20, iat= 205, 209, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   14 ILE  HG1-         14 ILE  HB          3.50    (#    418:20  Unique         2.40, 2.46 A)
 &rst
  ixpk= 418, nxpk= 20, iat=  -1, 209, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 215, 216,
 &end
#
#    0 AMB  20-2:419     14 ILE  HB          3.50    (#    419:20  Single Ambig)
 &rst
  ixpk= 419, nxpk= 20, iat=  -1, 209, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 426, 427, 428, 215, 216,
 &end
#
#   14 ILE  QG2          14 ILE  HB          3.50    (#    420:20  Unique         2.24, 2.63 A)
 &rst
  ixpk= 420, nxpk= 20, iat=  -1, 209, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 211, 212, 213,
 &end
#
#   66 TYR  HN           66 TYR  HB-         3.50    (#    421:20  Unique         2.09, 3.04 A)
 &rst
  ixpk= 421, nxpk= 20, iat=1011,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1015,1016,
 &end
#
#   66 TYR  HA           66 TYR  HB-         3.50    (#    422:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 422, nxpk= 20, iat=1013,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1015,1016,
 &end
#
#   66 TYR  HN           66 TYR  HB+         3.50    (#    424:20  Unique         2.09, 3.04 A)
 &rst
  ixpk= 424, nxpk= 20, iat=1011,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1015,1016,
 &end
#
#   66 TYR  HA           66 TYR  HB+         3.50    (#    425:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 425, nxpk= 20, iat=1013,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1015,1016,
 &end
#
#   63 GLU  HA           63 GLU  HB-         3.50    (#    431:20  Unique         2.51, 2.79 A)
 &rst
  ixpk= 431, nxpk= 20, iat= 960,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 962, 963,
 &end
#
#    0 AMB  20-2:433     63 GLU  HB-         3.50    (#    433:20  Single Ambig)
 &rst
  ixpk= 433, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
      1055,1056,
 igr2= 962, 963,
 &end
#
#   93 ILE  HA           93 ILE  HB          3.50    (#    434:20  Unique         3.01, 3.02 A)
 &rst
  ixpk= 434, nxpk= 20, iat=1433,1435, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   94 GLN  HN           93 ILE  HB          3.50    (#    435:20  Unique         2.19, 2.50 A)
 &rst
  ixpk= 435, nxpk= 20, iat=1450,1435, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:436      0 AMB  20-1:436    2.80    (#    436:20  Double Ambig)
 &rst
  ixpk= 436, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1=1437,1438,1439,1540,1541,1542,1544,1545,1546,
 igr2=1435,1856,1857,
 &end
#
#   93 ILE  QD1          93 ILE  HB          3.50    (#    437:20  Unique         2.17, 3.19 A)
 &rst
  ixpk= 437, nxpk= 20, iat=  -1,1435, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1444,1445,1446,
 &end
#
#   93 ILE  HN           93 ILE  HB          3.50    (#    438:20  Unique         2.52, 2.62 A)
 &rst
  ixpk= 438, nxpk= 20, iat=1431,1435, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 ILE  HG1-         93 ILE  HB          3.50    (#    439:20  Unique         2.32, 2.73 A)
 &rst
  ixpk= 439, nxpk= 20, iat=  -1,1435, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1441,1442,
 &end
#
#   63 GLU  HG-          63 GLU  HB+         3.50    (#    440:20  Unique         2.26, 2.72 A)
 &rst
  ixpk= 440, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 965, 966,
 igr2= 962, 963,
 &end
#
#    0 AMB  20-2:442      0 AMB  20-1:442    3.50    (#    442:20  Double Ambig)
 &rst
  ixpk= 442, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
      1055,1056,
 igr2= 962, 963, 962, 963,
 &end
#
#    0 AMB  20-2:444      0 AMB  20-1:444    2.80    (#    444:20  Double Ambig)
 &rst
  ixpk= 444, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1594,1595,1731,1732,
 igr2=1597,1598,1734,1735,
 &end
#
#  119 GLU  HA          119 GLU  HG-         3.50    (#    448:20  Unique         2.04, 3.06 A)
 &rst
  ixpk= 448, nxpk= 20, iat=1851,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1856,1857,
 &end
#
#   98 GLU  HB-          98 GLU  HG-         3.50    (#    450:20  Unique         2.30, 2.68 A)
 &rst
  ixpk= 450, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1520,1521,
 igr2=1523,1524,
 &end
#
#   97 GLU  HB+          97 GLU  HG-         2.80    (#    452:20  Unique         2.24, 2.72 A)
 &rst
  ixpk= 452, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1505,1506,
 igr2=1508,1509,
 &end
#
#   97 GLU  HN           97 GLU  HG-         3.50    (#    453:20  Unique         2.05, 2.73 A)
 &rst
  ixpk= 453, nxpk= 20, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1508,1509,
 &end
#
#    0 AMB  20-2:454      0 AMB  20-1:454    3.50    (#    454:20  Double Ambig)
 &rst
  ixpk= 454, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1540,1541,1542,1544,1545,1546,1437,1438,1439,
 igr2=1523,1524,1508,1509,
 &end
#
#   97 GLU  HN           97 GLU  HG+         3.50    (#    455:20  Unique         2.05, 2.73 A)
 &rst
  ixpk= 455, nxpk= 20, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1508,1509,
 &end
#
#   97 GLU  HB+          97 GLU  HG+         2.80    (#    456:20  Unique         2.24, 2.72 A)
 &rst
  ixpk= 456, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1505,1506,
 igr2=1508,1509,
 &end
#
#   97 GLU  HA           97 GLU  HG+         3.50    (#    457:20  Unique         2.46, 3.39 A)
 &rst
  ixpk= 457, nxpk= 20, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1508,1509,
 &end
#
#   41 GLU  HB-           0 AMB  20-1:458    3.50    (#    458:20  Single Ambig)
 &rst
  ixpk= 458, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 656, 657,
 igr2= 659, 660, 659, 660,
 &end
#
#   41 GLU  HB-           0 AMB  20-1:459    3.50    (#    459:20  Single Ambig)
 &rst
  ixpk= 459, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 656, 657,
 igr2= 659, 660, 659, 660,
 &end
#
#    7 GLU  HB+           7 GLU  HG+         3.50    (#    464:20  Unique         2.21, 2.67 A)
 &rst
  ixpk= 464, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 106, 107,
 igr2= 109, 110,
 &end
#
#   34 VAL  HN           33 VAL  HB          3.50    (#    465:20  Unique         2.46, 2.88 A)
 &rst
  ixpk= 465, nxpk= 20, iat= 551, 539, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:466     33 VAL  HB          3.50    (#    466:20  Single Ambig)
 &rst
  ixpk= 466, nxpk= 20, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1= 426, 427, 428, 215, 216,
 &end
#
#   33 VAL  MGX          33 VAL  HB          3.50    (#    467:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 467, nxpk= 20, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 541, 542, 543, 545, 546, 547,
 &end
#
#   33 VAL  MGY          33 VAL  HB          3.50    (#    468:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 468, nxpk= 20, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 541, 542, 543, 545, 546, 547,
 &end
#
#    0 AMB  20-2:471     57 LYS  HB-         3.50    (#    471:20  Single Ambig)
 &rst
  ixpk= 471, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 854, 855, 854, 855,
 igr2= 851, 852,
 &end
#
#   57 LYS  HA           57 LYS  HB-         3.50    (#    472:20  Unique         2.34, 2.68 A)
 &rst
  ixpk= 472, nxpk= 20, iat= 849,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 851, 852,
 &end
#
#   57 LYS  HA           57 LYS  HB+         3.50    (#    473:20  Unique         2.34, 2.68 A)
 &rst
  ixpk= 473, nxpk= 20, iat= 849,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 851, 852,
 &end
#
#    0 AMB  20-2:475      0 AMB  20-1:475    3.50    (#    475:20  Double Ambig)
 &rst
  ixpk= 475, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 854, 855, 854, 855,
 igr2= 851, 852, 851, 852,
 &end
#
#   35 HIS  HA           35 HIS  HB+         3.50    (#    479:20  Unique         2.36, 2.45 A)
 &rst
  ixpk= 479, nxpk= 20, iat= 569,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 571, 572,
 &end
#
#   25 ALA  MB           35 HIS  HB+         3.50    (#    480:20  Unique         1.98, 3.42 A)
 &rst
  ixpk= 480, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 426, 427, 428,
 igr2= 571, 572,
 &end
#
#  102 GLN  HN          102 GLN  HG+         3.50    (#    481:20  Unique         2.09, 3.37 A)
 &rst
  ixpk= 481, nxpk= 20, iat=1573,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1580,1581,
 &end
#
#  102 GLN  HB+         102 GLN  HG+         2.80    (#    482:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 482, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1577,1578,
 igr2=1580,1581,
 &end
#
#  102 GLN  HA          102 GLN  HG-         3.50    (#    483:20  Unique         2.18, 3.27 A)
 &rst
  ixpk= 483, nxpk= 20, iat=1575,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1580,1581,
 &end
#
#  102 GLN  HN          102 GLN  HG-         3.50    (#    484:20  Unique         2.09, 3.37 A)
 &rst
  ixpk= 484, nxpk= 20, iat=1573,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1580,1581,
 &end
#
#  102 GLN  HB+         102 GLN  HG-         2.80    (#    485:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 485, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1577,1578,
 igr2=1580,1581,
 &end
#
#   83 LYS  HN           83 LYS  HB+         3.50    (#    486:20  Unique         2.38, 3.22 A)
 &rst
  ixpk= 486, nxpk= 20, iat=1267,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1271,1272,
 &end
#
#  105 LEU  HN          104 VAL  HB          3.50    (#    489:20  Unique         1.84, 1.89 A)
 &rst
  ixpk= 489, nxpk= 20, iat=1621,1609, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  104 VAL  HA          104 VAL  HB          3.50    (#    490:20  Unique         2.38, 2.43 A)
 &rst
  ixpk= 490, nxpk= 20, iat=1607,1609, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  104 VAL  MGX         104 VAL  HB          3.50    (#    491:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 491, nxpk= 20, iat=  -1,1609, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1611,1612,1613,1615,1616,1617,
 &end
#
#  104 VAL  MGY         104 VAL  HB          3.50    (#    492:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 492, nxpk= 20, iat=  -1,1609, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1611,1612,1613,1615,1616,1617,
 &end
#
#   34 VAL  MGX          34 VAL  HB          2.80    (#    493:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 493, nxpk= 20, iat=  -1, 555, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 557, 558, 559, 561, 562, 563,
 &end
#
#   34 VAL  MGY          34 VAL  HB          2.80    (#    494:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 494, nxpk= 20, iat=  -1, 555, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 557, 558, 559, 561, 562, 563,
 &end
#
#   83 LYS  HD+          83 LYS  HB+         3.50    (#    495:20  Unique         2.01, 3.07 A)
 &rst
  ixpk= 495, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1277,1278,
 igr2=1271,1272,
 &end
#
#   83 LYS  HG-          83 LYS  HB+         3.50    (#    496:20  Unique         2.21, 2.71 A)
 &rst
  ixpk= 496, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1274,1275,
 igr2=1271,1272,
 &end
#
#   83 LYS  HG+          83 LYS  HB+         3.50    (#    497:20  Unique         2.21, 2.71 A)
 &rst
  ixpk= 497, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1274,1275,
 igr2=1271,1272,
 &end
#
#   83 LYS  HA           83 LYS  HB+         3.50    (#    498:20  Unique         2.31, 2.57 A)
 &rst
  ixpk= 498, nxpk= 20, iat=1269,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1271,1272,
 &end
#
#  107 LYS  HN          107 LYS  HB+         3.50    (#    502:20  Unique         2.07, 2.73 A)
 &rst
  ixpk= 502, nxpk= 20, iat=1661,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1665,1666,
 &end
#
#  107 LYS  HG+         107 LYS  HB+         2.80    (#    503:20  Unique         2.22, 2.71 A)
 &rst
  ixpk= 503, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1668,1669,
 igr2=1665,1666,
 &end
#
#  107 LYS  HA          107 LYS  HB+         3.50    (#    504:20  Unique         2.29, 2.77 A)
 &rst
  ixpk= 504, nxpk= 20, iat=1663,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1665,1666,
 &end
#
#  109 THR  MG2         107 LYS  HB+         3.50    (#    505:20  Unique         2.58, 4.87 A)
 &rst
  ixpk= 505, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1708,1709,1710,
 igr2=1665,1666,
 &end
#
#    0 AMB  20-2:507     94 GLN  HG-         3.50    (#    507:20  Single Ambig)
 &rst
  ixpk= 507, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1452,1469,
 igr2=1457,1458,
 &end
#
#   94 GLN  HB+          94 GLN  HG-         3.50    (#    509:20  Unique         2.21, 2.66 A)
 &rst
  ixpk= 509, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1454,1455,
 igr2=1457,1458,
 &end
#
#    0 AMB  20-2:510      0 AMB  20-1:510    3.50    (#    510:20  Double Ambig)
 &rst
  ixpk= 510, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1452,1469,
 igr2=1457,1458,1457,1458,
 &end
#
#   94 GLN  HB+          94 GLN  HG+         3.50    (#    512:20  Unique         2.21, 2.66 A)
 &rst
  ixpk= 512, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1454,1455,
 igr2=1457,1458,
 &end
#
#  124 VAL  HA          124 VAL  HB          3.50    (#    516:20  Unique         2.42, 2.68 A)
 &rst
  ixpk= 516, nxpk= 20, iat=1937,1939, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 VAL  MGX         124 VAL  HB          2.80    (#    517:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 517, nxpk= 20, iat=  -1,1939, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1941,1942,1943,1945,1946,1947,
 &end
#
#   73 LYS  HA           73 LYS  HB-         3.50    (#    519:20  Unique         2.32, 2.65 A)
 &rst
  ixpk= 519, nxpk= 20, iat=1102,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1104,1105,
 &end
#
#    0 AMB  20-2:520      0 AMB  20-1:520    3.50    (#    520:20  Double Ambig)
 &rst
  ixpk= 520, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1110,1111,1107,1108,
 igr2=1104,1105,1104,1105,
 &end
#
#   73 LYS  HN           73 LYS  HB+         3.50    (#    521:20  Unique         2.18, 3.22 A)
 &rst
  ixpk= 521, nxpk= 20, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1104,1105,
 &end
#
#   73 LYS  HA           73 LYS  HB+         3.50    (#    522:20  Unique         2.32, 2.65 A)
 &rst
  ixpk= 522, nxpk= 20, iat=1102,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1104,1105,
 &end
#
#   42 VAL  HA           42 VAL  HB          3.50    (#    523:20  Unique         2.46, 2.63 A)
 &rst
  ixpk= 523, nxpk= 20, iat= 669, 671, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:524      0 AMB  20-1:524    2.80    (#    524:20  Double Ambig)
 &rst
  ixpk= 524, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 673, 674, 675, 677, 678, 679, 754, 755, 756, 758,
       759, 760,
 igr2= 671, 768, 769,
 &end
#
#   50 VAL  MGY          50 VAL  HB          2.80    (#    525:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 525, nxpk= 20, iat=  -1, 752, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 754, 755, 756, 758, 759, 760,
 &end
#
#   50 VAL  HA           50 VAL  HB          4.50    (#    526:20  Unique         2.38, 2.62 A)
 &rst
  ixpk= 526, nxpk= 20, iat= 750, 752, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   91 LYS  HN           91 LYS  HB+         3.50    (#    527:20  Unique         2.17, 2.90 A)
 &rst
  ixpk= 527, nxpk= 20, iat=1390,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1394,1395,
 &end
#
#   68 VAL  HN           68 VAL  HB          3.50    (#    528:20  Unique         2.47, 2.56 A)
 &rst
  ixpk= 528, nxpk= 20, iat=1044,1048, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:529     68 VAL  HB          2.80    (#    529:20  Single Ambig)
 &rst
  ixpk= 529, nxpk= 20, iat=  -1,1048, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
      1055,1056,
 &end
#
#   28 VAL  HA           28 VAL  HB          3.50    (#    530:20  Unique         2.23, 2.33 A)
 &rst
  ixpk= 530, nxpk= 20, iat= 474, 476, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 VAL  MGY          28 VAL  HB          3.50    (#    531:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 531, nxpk= 20, iat=  -1, 476, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 478, 479, 480, 482, 483, 484,
 &end
#
#   93 ILE  QG2          28 VAL  HB          3.50    (#    532:20  Unique         1.99, 2.86 A)
 &rst
  ixpk= 532, nxpk= 20, iat=  -1, 476, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1437,1438,1439,
 &end
#
#    0 AMB  20-2:533     28 VAL  HB          2.80    (#    533:20  Single Ambig)
 &rst
  ixpk= 533, nxpk= 20, iat=  -1, 476, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1444,1445,1446, 478, 479, 480, 482, 483, 484,
 &end
#
#    0 AMB  20-2:534      0 AMB  20-1:534    3.50    (#    534:20  Double Ambig)
 &rst
  ixpk= 534, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 106, 107,  59,  60,
 igr2=  95,  96,  95,  96,
 &end
#
#   51 MET  HG-          51 MET  HB-         2.80    (#    536:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 536, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 771, 772,
 igr2= 768, 769,
 &end
#
#   91 LYS  HA           91 LYS  HB+         3.50    (#    537:20  Unique         2.51, 2.81 A)
 &rst
  ixpk= 537, nxpk= 20, iat=1392,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1394,1395,
 &end
#
#    0 AMB  20-2:538      0 AMB  20-1:538    2.80    (#    538:20  Double Ambig)
 &rst
  ixpk= 538, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1339,1340,1397,1398,1342,
 igr2=1394,1395,1394,1395,1394,1395,
 &end
#
#    6 PRO  HA            6 PRO  HB+         3.50    (#    543:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 543, nxpk= 20, iat=  98,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=  95,  96,
 &end
#
#   39 PRO  HA           39 PRO  HB-         3.50    (#    545:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 545, nxpk= 20, iat= 637,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 634, 635,
 &end
#
#    0 AMB  20-2:548     76 VAL  HB          2.80    (#    548:20  Single Ambig)
 &rst
  ixpk= 548, nxpk= 20, iat=  -1,1164, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
      1171,1172,
 &end
#
#   76 VAL  HN           76 VAL  HB          3.50    (#    549:20  Unique         2.57, 2.94 A)
 &rst
  ixpk= 549, nxpk= 20, iat=1160,1164, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    9 LYS  HG+           9 LYS  HB+         2.80    (#    552:20  Unique         2.21, 2.72 A)
 &rst
  ixpk= 552, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 138, 139,
 igr2= 135, 136,
 &end
#
#    0 AMB  20-2:554      0 AMB  20-1:554    3.50    (#    554:20  Double Ambig)
 &rst
  ixpk= 554, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.77, r4= 6.52,
 igr1= 106, 107,  59,  60,1164,
 igr2=  95,  96, 135, 136,
 &end
#
#  100 VAL  HN          100 VAL  HB          3.50    (#    558:20  Unique         2.22, 2.42 A)
 &rst
  ixpk= 558, nxpk= 20, iat=1550,1554, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  100 VAL  MGX         100 VAL  HB          2.80    (#    559:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 559, nxpk= 20, iat=  -1,1554, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1556,1557,1558,1560,1561,1562,
 &end
#
#    0 AMB  20-2:560    100 VAL  HB          2.80    (#    560:20  Single Ambig)
 &rst
  ixpk= 560, nxpk= 20, iat=  -1,1554, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 557, 558, 559, 561, 562, 563,1556,1557,1558,1560,
      1561,1562,
 &end
#
#   75 GLN  HA           75 GLN  HB+         3.50    (#    561:20  Unique         2.31, 2.45 A)
 &rst
  ixpk= 561, nxpk= 20, iat=1145,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1147,1148,
 &end
#
#    0 AMB  20-2:562      0 AMB  20-1:562    3.50    (#    562:20  Double Ambig)
 &rst
  ixpk= 562, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1145, 474,
 igr2=1147,1148, 160, 161,
 &end
#
#    0 AMB  20-2:563      0 AMB  20-1:563    3.50    (#    563:20  Double Ambig)
 &rst
  ixpk= 563, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 163, 312,
 igr2= 160, 161, 309, 310,
 &end
#
#  103 GLU  HN          103 GLU  HB+         3.50    (#    565:20  Unique         2.68, 3.30 A)
 &rst
  ixpk= 565, nxpk= 20, iat=1590,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1594,1595,
 &end
#
#  103 GLU  HA          103 GLU  HB+         3.50    (#    566:20  Unique         2.33, 2.71 A)
 &rst
  ixpk= 566, nxpk= 20, iat=1592,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1594,1595,
 &end
#
#   19 PRO  HG+          19 PRO  HB+         3.50    (#    569:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 569, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 306, 307,
 igr2= 309, 310,
 &end
#
#   60 VAL  MGX          60 VAL  HB          3.50    (#    572:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 572, nxpk= 20, iat=  -1, 902, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:573      0 AMB  20-1:573    2.80    (#    573:20  Double Ambig)
 &rst
  ixpk= 573, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1692,1693,1694,1696,1697,1698, 904, 905, 906, 908,
       909, 910,
 igr2= 620, 621, 902,
 &end
#
#    0 AMB  20-2:574      0 AMB  20-1:574    3.50    (#    574:20  Double Ambig)
 &rst
  ixpk= 574, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 628, 629, 614, 615,
 igr2= 620, 621, 620, 621,
 &end
#
#  100 VAL  HA           60 VAL  HB          3.50    (#    575:20  Unique         1.99, 2.24 A)
 &rst
  ixpk= 575, nxpk= 20, iat=1552, 902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:576      0 AMB  20-1:576    3.50    (#    576:20  Double Ambig)
 &rst
  ixpk= 576, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 631, 632,1535,1536, 656, 657,
 igr2= 620, 621, 902, 620, 621,
 &end
#
#   38 PRO  HA           38 PRO  HB+         3.50    (#    578:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 578, nxpk= 20, iat= 623,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 620, 621,
 &end
#
#    0 AMB  20-2:579     38 PRO  HB-         3.50    (#    579:20  Single Ambig)
 &rst
  ixpk= 579, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 628, 629, 614, 615,
 igr2= 620, 621,
 &end
#
#  117 VAL  MGX         117 VAL  HB          3.50    (#    581:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 581, nxpk= 20, iat=  -1,1823, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1825,1826,1827,1829,1830,1831,
 &end
#
#  117 VAL  MGY         117 VAL  HB          3.50    (#    582:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 582, nxpk= 20, iat=  -1,1823, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1825,1826,1827,1829,1830,1831,
 &end
#
#    0 AMB  20-2:583      0 AMB  20-1:583    3.50    (#    583:20  Double Ambig)
 &rst
  ixpk= 583, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1274,1275, 195, 196, 197, 199, 200, 201,
 igr2=1230,1231,1823,
 &end
#
#  117 VAL  HA          117 VAL  HB          3.50    (#    584:20  Unique         2.41, 2.47 A)
 &rst
  ixpk= 584, nxpk= 20, iat=1821,1823, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   41 GLU  HA           41 GLU  HB-         3.50    (#    588:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 588, nxpk= 20, iat= 654,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 656, 657,
 &end
#
#    0 AMB  20-2:590      0 AMB  20-1:590    2.80    (#    590:20  Double Ambig)
 &rst
  ixpk= 590, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 659, 660, 659, 660,
 igr2= 656, 657, 656, 657,
 &end
#
#   41 GLU  HA           41 GLU  HB+         3.50    (#    591:20  Unique         2.39, 2.74 A)
 &rst
  ixpk= 591, nxpk= 20, iat= 654,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 656, 657,
 &end
#
#  115 HIS  HN          115 HIS  HB+         3.50    (#    592:20  Unique         2.07, 2.59 A)
 &rst
  ixpk= 592, nxpk= 20, iat=1782,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1786,1787,
 &end
#
#  112 ASN  HA          115 HIS  HB+         3.50    (#    593:20  Unique         2.29, 2.87 A)
 &rst
  ixpk= 593, nxpk= 20, iat=1744,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1786,1787,
 &end
#
#  115 HIS  HA          115 HIS  HB+         3.50    (#    594:20  Unique         2.37, 2.80 A)
 &rst
  ixpk= 594, nxpk= 20, iat=1784,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1786,1787,
 &end
#
#   98 GLU  HN           98 GLU  HB-         3.50    (#    596:20  Unique         2.15, 2.75 A)
 &rst
  ixpk= 596, nxpk= 20, iat=1516,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1520,1521,
 &end
#
#   98 GLU  HA           98 GLU  HB-         3.50    (#    597:20  Unique         2.26, 2.76 A)
 &rst
  ixpk= 597, nxpk= 20, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1520,1521,
 &end
#
#   98 GLU  HG+          98 GLU  HB-         2.80    (#    598:20  Unique         2.30, 2.68 A)
 &rst
  ixpk= 598, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1523,1524,
 igr2=1520,1521,
 &end
#
#   98 GLU  HN           98 GLU  HB+         3.50    (#    599:20  Unique         2.15, 2.75 A)
 &rst
  ixpk= 599, nxpk= 20, iat=1516,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1520,1521,
 &end
#
#   98 GLU  HA           98 GLU  HB+         2.80    (#    600:20  Unique         2.26, 2.76 A)
 &rst
  ixpk= 600, nxpk= 20, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1520,1521,
 &end
#
#    0 AMB  20-2:601     62 LYS  HD-         3.50    (#    601:20  Single Ambig)
 &rst
  ixpk= 601, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 940, 941, 949, 950,
 igr2= 946, 947,
 &end
#
#    0 AMB  20-2:602      0 AMB  20-1:602    3.50    (#    602:20  Double Ambig)
 &rst
  ixpk= 602, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 940, 941, 949, 950,
 igr2= 946, 947, 946, 947,
 &end
#
#   98 GLU  HG+          98 GLU  HB+         2.80    (#    604:20  Unique         2.30, 2.68 A)
 &rst
  ixpk= 604, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1523,1524,
 igr2=1520,1521,
 &end
#
#    0 AMB  20-2:605      0 AMB  20-1:605    2.80    (#    605:20  Double Ambig)
 &rst
  ixpk= 605, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 927, 928, 860, 861,1217,1218,
 igr2= 924, 925, 857, 858,1214,1215,
 &end
#
#    0 AMB  20-2:606      0 AMB  20-1:606    2.80    (#    606:20  Double Ambig)
 &rst
  ixpk= 606, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 854, 855, 854, 855, 889, 890,
 igr2= 857, 858, 857, 858, 924, 925,
 &end
#
#  102 GLN  HN          102 GLN  HB+         2.80    (#    607:20  Unique         2.25, 3.13 A)
 &rst
  ixpk= 607, nxpk= 20, iat=1573,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1577,1578,
 &end
#
#  102 GLN  HG-         102 GLN  HB+         2.80    (#    608:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 608, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1580,1581,
 igr2=1577,1578,
 &end
#
#  111 GLU  HA          111 GLU  HB-         3.50    (#    609:20  Unique         2.39, 2.79 A)
 &rst
  ixpk= 609, nxpk= 20, iat=1729,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1731,1732,
 &end
#
#   97 GLU  HA            0 AMB  20-1:610    3.50    (#    610:20  Single Ambig)
 &rst
  ixpk= 610, nxpk= 20, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1505,1506,1505,1506,
 &end
#
#    0 AMB  20-2:611      0 AMB  20-1:611    2.80    (#    611:20  Double Ambig)
 &rst
  ixpk= 611, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1734,1735,1734,1735,
 igr2=1731,1732,1731,1732,
 &end
#
#  107 LYS  HE+         107 LYS  HD+         3.50    (#    613:20  Unique         2.22, 2.68 A)
 &rst
  ixpk= 613, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1674,1675,
 igr2=1671,1672,
 &end
#
#  102 GLN  HA          102 GLN  HB+         3.50    (#    615:20  Unique         2.27, 2.63 A)
 &rst
  ixpk= 615, nxpk= 20, iat=1575,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1577,1578,
 &end
#
#    0 AMB  20-2:616      0 AMB  20-1:616    2.80    (#    616:20  Double Ambig)
 &rst
  ixpk= 616, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1=1734,1735,1508,1509,
 igr2=1731,1732,1505,1506,1505,1506,
 &end
#
#   97 GLU  HN            0 AMB  20-1:618    3.50    (#    618:20  Single Ambig)
 &rst
  ixpk= 618, nxpk= 20, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1505,1506,1505,1506,
 &end
#
#  111 GLU  HA          111 GLU  HB+         3.50    (#    619:20  Unique         2.39, 2.79 A)
 &rst
  ixpk= 619, nxpk= 20, iat=1729,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1731,1732,
 &end
#
#  119 GLU  HN          119 GLU  HB+         3.50    (#    621:20  Unique         2.09, 3.00 A)
 &rst
  ixpk= 621, nxpk= 20, iat=1849,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1853,1854,
 &end
#
#  119 GLU  HA          119 GLU  HB+         3.50    (#    622:20  Unique         2.24, 2.72 A)
 &rst
  ixpk= 622, nxpk= 20, iat=1851,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1853,1854,
 &end
#
#  119 GLU  HN          119 GLU  HB+         3.50    (#    623:20  Unique         2.09, 3.00 A)
 &rst
  ixpk= 623, nxpk= 20, iat=1849,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1853,1854,
 &end
#
#  119 GLU  HA          119 GLU  HB+         3.50    (#    624:20  Unique         2.24, 2.72 A)
 &rst
  ixpk= 624, nxpk= 20, iat=1851,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1853,1854,
 &end
#
#   73 LYS  HG+          73 LYS  HD-         3.50    (#    627:20  Unique         2.22, 2.67 A)
 &rst
  ixpk= 627, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1107,1108,
 igr2=1110,1111,
 &end
#
#   26 ILE  QG2          26 ILE  HG1-        3.50    (#    629:20  Unique         1.95, 3.28 A)
 &rst
  ixpk= 629, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 438, 439, 440,
 igr2= 442, 443,
 &end
#
#    9 LYS  HE+           9 LYS  HD+         3.50    (#    634:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 634, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 144, 145,
 igr2= 141, 142,
 &end
#
#   91 LYS  HE+          91 LYS  HD+         3.50    (#    636:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 636, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1403,1404,
 igr2=1400,1401,
 &end
#
#   83 LYS  HE+          83 LYS  HD+         2.80    (#    637:20  Unique         2.22, 2.70 A)
 &rst
  ixpk= 637, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1280,1281,
 igr2=1277,1278,
 &end
#
#   73 LYS  HG+          73 LYS  HD+         2.80    (#    638:20  Unique         2.22, 2.67 A)
 &rst
  ixpk= 638, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1107,1108,
 igr2=1110,1111,
 &end
#
#   83 LYS  HG-          83 LYS  HD+         3.50    (#    639:20  Unique         2.22, 2.65 A)
 &rst
  ixpk= 639, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1274,1275,
 igr2=1277,1278,
 &end
#
#   83 LYS  HG+          83 LYS  HD+         3.50    (#    640:20  Unique         2.22, 2.65 A)
 &rst
  ixpk= 640, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1274,1275,
 igr2=1277,1278,
 &end
#
#    0 AMB  20-2:642     94 GLN  HB-         3.50    (#    642:20  Single Ambig)
 &rst
  ixpk= 642, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1462,1463,1450,
 igr2=1454,1455,
 &end
#
#   94 GLN  HA           94 GLN  HB-         3.50    (#    643:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 643, nxpk= 20, iat=1452,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1454,1455,
 &end
#
#    9 LYS  HB+          10 PRO  HG+         4.50    (#    644:20  Unique         3.66, 5.09 A)
 &rst
  ixpk= 644, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 135, 136,
 igr2= 157, 158,
 &end
#
#   86 PRO  HD-          86 PRO  HG+         3.50    (#    645:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 645, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1322,1323,
 igr2=1325,1326,
 &end
#
#    0 AMB  20-2:647      0 AMB  20-1:647    3.50    (#    647:20  Double Ambig)
 &rst
  ixpk= 647, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1462,1463,1450,
 igr2=1454,1455,1454,1455,
 &end
#
#   94 GLN  HA           94 GLN  HB+         2.80    (#    648:20  Unique         2.27, 2.67 A)
 &rst
  ixpk= 648, nxpk= 20, iat=1452,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1454,1455,
 &end
#
#   93 ILE  HB           93 ILE  HG1+        3.50    (#    649:20  Unique         2.32, 2.73 A)
 &rst
  ixpk= 649, nxpk= 20, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1441,1442,
 &end
#
#   93 ILE  QG2          93 ILE  HG1+        3.50    (#    650:20  Unique         2.08, 3.42 A)
 &rst
  ixpk= 650, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1437,1438,1439,
 igr2=1441,1442,
 &end
#
#   14 ILE  QG2          16 ILE  HG1+        2.80    (#    651:20  Unique         2.86, 4.58 A)
 &rst
  ixpk= 651, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 211, 212, 213,
 igr2= 249, 250,
 &end
#
#    0 AMB  20-2:653      0 AMB  20-1:653    2.80    (#    653:20  Double Ambig)
 &rst
  ixpk= 653, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 154, 155,1322,1323,
 igr2= 157, 158,1325,1326,
 &end
#
#   93 ILE  HB           93 ILE  HG1-        3.50    (#    654:20  Unique         2.32, 2.73 A)
 &rst
  ixpk= 654, nxpk= 20, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1441,1442,
 &end
#
#    0 AMB  20-2:657      0 AMB  20-1:657    3.50    (#    657:20  Double Ambig)
 &rst
  ixpk= 657, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 883, 924, 925,
 igr2= 889, 890, 889, 890,
 &end
#
#    0 AMB  20-2:659      0 AMB  20-1:659    3.50    (#    659:20  Double Ambig)
 &rst
  ixpk= 659, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=  89,  90, 614, 615,
 igr2=  92,  93, 617, 618,
 &end
#
#   38 PRO  HD-          38 PRO  HG+         3.50    (#    660:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 660, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 614, 615,
 igr2= 617, 618,
 &end
#
#   38 PRO  HB+          38 PRO  HG+         3.50    (#    661:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 661, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 620, 621,
 igr2= 617, 618,
 &end
#
#    0 AMB  20-2:662      0 AMB  20-1:662    3.50    (#    662:20  Double Ambig)
 &rst
  ixpk= 662, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 303, 304,  56,  57,
 igr2= 306, 307,  59,  60,
 &end
#
#    4 PRO  HD+           4 PRO  HG+         3.50    (#    663:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 663, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  56,  57,
 igr2=  59,  60,
 &end
#
#    6 PRO  HB+           4 PRO  HG+         3.50    (#    664:20  Unique         3.68, 5.16 A)
 &rst
  ixpk= 664, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  95,  96,
 igr2=  59,  60,
 &end
#
#    0 AMB  20-2:665      0 AMB  20-1:665    3.50    (#    665:20  Double Ambig)
 &rst
  ixpk= 665, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=  95,  96,  25,  26,
 igr2=  59,  60,  59,  60,
 &end
#
#   39 PRO  HD+          39 PRO  HG-         3.50    (#    666:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 666, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 628, 629,
 igr2= 631, 632,
 &end
#
#   39 PRO  HD-          39 PRO  HG-         3.50    (#    667:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 667, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 628, 629,
 igr2= 631, 632,
 &end
#
#    0 AMB  20-2:669     59 ILE  HG1-        3.50    (#    669:20  Single Ambig)
 &rst
  ixpk= 669, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 883, 924, 925,
 igr2= 889, 890,
 &end
#
#   59 ILE  QD1          59 ILE  HG1-        2.80    (#    671:20  Unique         2.23, 2.62 A)
 &rst
  ixpk= 671, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 892, 893, 894,
 igr2= 889, 890,
 &end
#
#   59 ILE  QD1          59 ILE  HG1+        2.80    (#    672:20  Unique         2.23, 2.62 A)
 &rst
  ixpk= 672, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 892, 893, 894,
 igr2= 889, 890,
 &end
#
#    0 AMB  20-2:673      0 AMB  20-1:673    3.50    (#    673:20  Double Ambig)
 &rst
  ixpk= 673, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.00, r4= 7.75,
 igr1=  89,  90, 628, 629,  89,  90, 614, 615,
 igr2=  59,  60, 631, 632,  92,  93, 617, 618,
 &end
#
#  108 LEU  MDX         108 LEU  HG          2.80    (#    674:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 674, nxpk= 20, iat=  -1,1690, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1692,1693,1694,1696,1697,1698,
 &end
#
#   64 LEU  MDY          64 LEU  HG          2.80    (#    675:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 675, nxpk= 20, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 982, 983, 984, 986, 987, 988,
 &end
#
#   99 LEU  MDY          99 LEU  HG          2.80    (#    678:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 678, nxpk= 20, iat=  -1,1538, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1540,1541,1542,1544,1545,1546,
 &end
#
#  105 LEU  MDX         105 LEU  HG          3.50    (#    679:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 679, nxpk= 20, iat=  -1,1628, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1630,1631,1632,1634,1635,1636,
 &end
#
#    0 AMB  20-2:680    105 LEU  HG          4.50    (#    680:20  Single Ambig)
 &rst
  ixpk= 680, nxpk= 20, iat=  -1,1628, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1623,1607,
 &end
#
#  105 LEU  MDY         105 LEU  HG          3.50    (#    681:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 681, nxpk= 20, iat=  -1,1628, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1630,1631,1632,1634,1635,1636,
 &end
#
#  108 LEU  HB-         108 LEU  HG          2.80    (#    682:20  Unique         2.30, 2.66 A)
 &rst
  ixpk= 682, nxpk= 20, iat=  -1,1690, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1687,1688,
 &end
#
#   64 LEU  MDX          64 LEU  HG          3.50    (#    683:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 683, nxpk= 20, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 982, 983, 984, 986, 987, 988,
 &end
#
#    8 PRO  HB-           8 PRO  HG+         3.50    (#    685:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 685, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 124, 125,
 igr2= 121, 122,
 &end
#
#    0 AMB  20-2:686      0 AMB  20-1:686    3.50    (#    686:20  Double Ambig)
 &rst
  ixpk= 686, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 124, 125, 211, 212, 213,
 igr2= 121, 122, 999,
 &end
#
#  116 PHE  HE           99 LEU  MDY         3.50    (#    687:20  Unique         1.98, 6.39 A)
 &rst
  ixpk= 687, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1809,1813,
 igr2=1540,1541,1542,1544,1545,1546,
 &end
#
#   99 LEU  HB-          99 LEU  MDY         3.50    (#    688:20  Unique         2.02, 3.28 A)
 &rst
  ixpk= 688, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1535,1536,
 igr2=1540,1541,1542,1544,1545,1546,
 &end
#
#  120 LEU  MDX          99 LEU  MDY         3.50    (#    689:20  Unique         1.99, 5.40 A)
 &rst
  ixpk= 689, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2=1540,1541,1542,1544,1545,1546,
 &end
#
#    0 AMB  20-2:690     99 LEU  MDY         3.50    (#    690:20  Single Ambig)
 &rst
  ixpk= 690, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1471,1472,1538,1856,1857,
 igr2=1540,1541,1542,1544,1545,1546,
 &end
#
#   89 CYS  HA           89 CYS  HB+         3.50    (#    692:20  Unique         2.31, 2.59 A)
 &rst
  ixpk= 692, nxpk= 20, iat=1370,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1372,1373,
 &end
#
#   65 LEU  HB-          65 LEU  HG          3.50    (#    693:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 693, nxpk= 20, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 996, 997,
 &end
#
#   68 VAL  HB           65 LEU  HG          3.50    (#    694:20  Unique         3.41, 3.60 A)
 &rst
  ixpk= 694, nxpk= 20, iat=1048, 999, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 LEU  MDX          65 LEU  HG          3.50    (#    695:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 695, nxpk= 20, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1001,1002,1003,1005,1006,1007,
 &end
#
#   65 LEU  MDY          65 LEU  HG          3.50    (#    696:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 696, nxpk= 20, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1001,1002,1003,1005,1006,1007,
 &end
#
#    0 AMB  20-2:697     14 ILE  HG1-        3.50    (#    697:20  Single Ambig)
 &rst
  ixpk= 697, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 218, 219, 220, 211, 212, 213,
 igr2= 215, 216,
 &end
#
#  120 LEU  MDY         120 LEU  HG          3.50    (#    699:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 699, nxpk= 20, iat=  -1,1871, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
#    0 AMB  20-2:701      0 AMB  20-1:701    3.50    (#    701:20  Double Ambig)
 &rst
  ixpk= 701, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 218, 219, 220, 211, 212, 213,
 igr2= 215, 216, 215, 216,
 &end
#
#    0 AMB  20-2:702    120 LEU  MDY         3.50    (#    702:20  Single Ambig)
 &rst
  ixpk= 702, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1821,1493,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
#  120 LEU  HB-         120 LEU  MDY         3.50    (#    703:20  Unique         2.26, 3.28 A)
 &rst
  ixpk= 703, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1868,1869,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
#    0 AMB  20-2:704    120 LEU  MDY         3.50    (#    704:20  Single Ambig)
 &rst
  ixpk= 704, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1825,1826,1827,1829,1830,1831,1495,1496,1497,1871,
      
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
#    0 AMB  20-2:705    120 LEU  MDY         2.80    (#    705:20  Single Ambig)
 &rst
  ixpk= 705, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1540,1541,1542,1544,1545,1546,1868,1869,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
#    0 AMB  20-2:706    120 LEU  MDY         3.50    (#    706:20  Single Ambig)
 &rst
  ixpk= 706, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 445, 446, 447, 442, 443,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
#  120 LEU  MDX         120 LEU  HG          3.50    (#    708:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 708, nxpk= 20, iat=  -1,1871, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
#    0 AMB  20-2:709     13 LEU  HG          3.50    (#    709:20  Single Ambig)
 &rst
  ixpk= 709, nxpk= 20, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1893,1894, 190, 191,
 &end
#
#   13 LEU  MDY          13 LEU  HG          3.50    (#    710:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 710, nxpk= 20, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 195, 196, 197, 199, 200, 201,
 &end
#
#   13 LEU  MDX          13 LEU  HG          3.50    (#    711:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 711, nxpk= 20, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 195, 196, 197, 199, 200, 201,
 &end
#
#    0 AMB  20-2:712      0 AMB  20-1:712    3.50    (#    712:20  Double Ambig)
 &rst
  ixpk= 712, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 924, 925,1887,1888,
 igr2= 921, 922, 193,
 &end
#
#    0 AMB  20-2:713      0 AMB  20-1:713    3.50    (#    713:20  Double Ambig)
 &rst
  ixpk= 713, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.47, r4= 7.22,
 igr1= 946, 947, 796, 797, 798,
 igr2= 943, 944, 811, 812, 813, 815, 816, 817,
 &end
#
#   64 LEU  HB+          64 LEU  MDY         3.50    (#    714:20  Unique         2.03, 3.28 A)
 &rst
  ixpk= 714, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 977, 978,
 igr2= 982, 983, 984, 986, 987, 988,
 &end
#
#   64 LEU  HG           64 LEU  MDY         3.50    (#    715:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 715, nxpk= 20, iat= 980,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 982, 983, 984, 986, 987, 988,
 &end
#
#   64 LEU  HB-          64 LEU  MDY         3.50    (#    716:20  Unique         2.03, 3.28 A)
 &rst
  ixpk= 716, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 977, 978,
 igr2= 982, 983, 984, 986, 987, 988,
 &end
#
#  123 GLY  HA+          87 LEU  MDY         4.50    (#    718:20  Unique         2.01, 4.73 A)
 &rst
  ixpk= 718, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1930,1931,
 igr2=1344,1345,1346,1348,1349,1350,
 &end
#
#    0 AMB  20-2:719     87 LEU  MDY         4.50    (#    719:20  Single Ambig)
 &rst
  ixpk= 719, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1930,1931,1866,
 igr2=1344,1345,1346,1348,1349,1350,
 &end
#
#    0 AMB  20-2:720     87 LEU  MDY         2.80    (#    720:20  Single Ambig)
 &rst
  ixpk= 720, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.94, r4= 5.69,
 igr1=1397,1398,1342,1339,1340,
 igr2=1344,1345,1346,1348,1349,1350,
 &end
#
#   87 LEU  HB-          87 LEU  MDY         3.50    (#    721:20  Unique         2.27, 3.27 A)
 &rst
  ixpk= 721, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1339,1340,
 igr2=1344,1345,1346,1348,1349,1350,
 &end
#
#  113 CYS  HA           36 LEU  HG          4.50    (#    723:20  Unique         2.59, 3.18 A)
 &rst
  ixpk= 723, nxpk= 20, iat=1758, 591, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 LEU  HB-          36 LEU  HG          3.50    (#    724:20  Unique         2.24, 2.48 A)
 &rst
  ixpk= 724, nxpk= 20, iat=  -1, 591, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 588, 589,
 &end
#
#  104 VAL  MGY          36 LEU  HG          3.50    (#    725:20  Unique         3.99, 5.18 A)
 &rst
  ixpk= 725, nxpk= 20, iat=  -1, 591, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1611,1612,1613,1615,1616,1617,
 &end
#
#    0 AMB  20-2:726     36 LEU  HG          3.50    (#    726:20  Single Ambig)
 &rst
  ixpk= 726, nxpk= 20, iat=  -1, 591, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1692,1693,1694,1696,1697,1698, 873, 874, 875,
 &end
#
#   36 LEU  MDX          36 LEU  HG          3.50    (#    727:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 727, nxpk= 20, iat=  -1, 591, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 593, 594, 595, 597, 598, 599,
 &end
#
#   74 TYR  HE           65 LEU  MDY         3.50    (#    728:20  Unique         2.39, 5.51 A)
 &rst
  ixpk= 728, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1132,1137,
 igr2=1001,1002,1003,1005,1006,1007,
 &end
#
#   65 LEU  HB-          65 LEU  MDY         3.50    (#    729:20  Unique         2.05, 3.27 A)
 &rst
  ixpk= 729, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 996, 997,
 igr2=1001,1002,1003,1005,1006,1007,
 &end
#
#    0 AMB  20-2:730     65 LEU  MDY         3.50    (#    730:20  Single Ambig)
 &rst
  ixpk= 730, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 215, 216, 996, 997,
 igr2=1001,1002,1003,1005,1006,1007,
 &end
#
#   65 LEU  HG           65 LEU  MDY         3.50    (#    731:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 731, nxpk= 20, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1001,1002,1003,1005,1006,1007,
 &end
#
#   33 VAL  MGX          65 LEU  MDY         3.50    (#    732:20  Unique         1.96, 4.60 A)
 &rst
  ixpk= 732, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 541, 542, 543, 545, 546, 547,
 igr2=1001,1002,1003,1005,1006,1007,
 &end
#
#   91 LYS  HB+          91 LYS  HG+         3.50    (#    737:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 737, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1394,1395,
 igr2=1397,1398,
 &end
#
#    0 AMB  20-2:738      0 AMB  20-1:738    2.80    (#    738:20  Double Ambig)
 &rst
  ixpk= 738, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1665,1666,1400,1401,
 igr2=1668,1669,1397,1398,
 &end
#
#  108 LEU  MDX         107 LYS  HG+         4.50    (#    739:20  Unique         3.16, 7.08 A)
 &rst
  ixpk= 739, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1692,1693,1694,1696,1697,1698,
 igr2=1668,1669,
 &end
#
#   91 LYS  HB+          91 LYS  HG-         3.50    (#    740:20  Unique         2.26, 2.59 A)
 &rst
  ixpk= 740, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1394,1395,
 igr2=1397,1398,
 &end
#
#    0 AMB  20-2:741      0 AMB  20-1:741    2.80    (#    741:20  Double Ambig)
 &rst
  ixpk= 741, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1104,1105,1671,1672,
 igr2=1107,1108,1668,1669,
 &end
#
#  100 VAL  HN          100 VAL  MGX         3.50    (#    743:20  Unique         2.02, 3.86 A)
 &rst
  ixpk= 743, nxpk= 20, iat=1550,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#   97 GLU  HA          100 VAL  MGX         3.50    (#    744:20  Unique         2.03, 3.98 A)
 &rst
  ixpk= 744, nxpk= 20, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#  100 VAL  HA          100 VAL  MGX         3.50    (#    745:20  Unique         2.10, 3.36 A)
 &rst
  ixpk= 745, nxpk= 20, iat=1552,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#  100 VAL  HB          100 VAL  MGX         2.80    (#    746:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 746, nxpk= 20, iat=1554,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#   62 LYS  HB-         100 VAL  MGX         3.50    (#    747:20  Unique         1.98, 3.72 A)
 &rst
  ixpk= 747, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 940, 941,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#   73 LYS  HB+          73 LYS  HG+         3.50    (#    748:20  Unique         2.21, 2.68 A)
 &rst
  ixpk= 748, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1104,1105,
 igr2=1107,1108,
 &end
#
#   62 LYS  HB+         100 VAL  MGX         3.50    (#    749:20  Unique         1.98, 3.72 A)
 &rst
  ixpk= 749, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 940, 941,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#    0 AMB  20-2:751    100 VAL  MGX         3.50    (#    751:20  Single Ambig)
 &rst
  ixpk= 751, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 557, 558, 559, 561, 562, 563, 904, 905, 906, 908,
       909, 910,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#    0 AMB  20-2:752      0 AMB  20-1:752    2.80    (#    752:20  Double Ambig)
 &rst
  ixpk= 752, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 809, 851, 852,
 igr2= 811, 812, 813, 815, 816, 817,1630,1631,1632,1634,
      1635,1636,
 &end
#
#    0 AMB  20-2:754      0 AMB  20-1:754    2.80    (#    754:20  Double Ambig)
 &rst
  ixpk= 754, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.54, r4= 6.29,
 igr1= 806, 807,1628,1625,1626,
 igr2= 811, 812, 813, 815, 816, 817,1630,1631,1632,1634,
      1635,1636,
 &end
#
#   38 PRO  HD+         108 LEU  MDX         3.50    (#    756:20  Unique         2.08, 4.52 A)
 &rst
  ixpk= 756, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 614, 615,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#   38 PRO  HG-         108 LEU  MDX         4.50    (#    757:20  Unique         3.56, 5.84 A)
 &rst
  ixpk= 757, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 617, 618,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#  108 LEU  HB-         108 LEU  MDX         3.50    (#    758:20  Unique         2.00, 3.33 A)
 &rst
  ixpk= 758, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1687,1688,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#   36 LEU  MDY         108 LEU  MDX         4.50    (#    759:20  Unique         1.99, 5.64 A)
 &rst
  ixpk= 759, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 593, 594, 595, 597, 598, 599,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#   36 LEU  HG          108 LEU  MDX         4.50    (#    760:20  Unique         3.50, 5.68 A)
 &rst
  ixpk= 760, nxpk= 20, iat= 591,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#    0 AMB  20-2:761    108 LEU  MDX         4.50    (#    761:20  Single Ambig)
 &rst
  ixpk= 761, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 871, 586,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#  108 LEU  HA          108 LEU  MDX         3.50    (#    762:20  Unique         1.96, 3.68 A)
 &rst
  ixpk= 762, nxpk= 20, iat=1685,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#    0 AMB  20-2:763    108 LEU  MDX         3.50    (#    763:20  Single Ambig)
 &rst
  ixpk= 763, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1690,1668,1669,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#  108 LEU  HB+         108 LEU  MDX         3.50    (#    764:20  Unique         2.00, 3.33 A)
 &rst
  ixpk= 764, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1687,1688,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#    9 LYS  HD+           9 LYS  HG+         2.80    (#    769:20  Unique         2.22, 2.68 A)
 &rst
  ixpk= 769, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 141, 142,
 igr2= 138, 139,
 &end
#
#    0 AMB  20-2:771      0 AMB  20-1:771    3.50    (#    771:20  Double Ambig)
 &rst
  ixpk= 771, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 857, 858, 857, 858,
 igr2= 854, 855, 854, 855,
 &end
#
#    0 AMB  20-2:772     79 LYS  HG-         3.50    (#    772:20  Single Ambig)
 &rst
  ixpk= 772, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1214,1215,1208,1209,
 igr2=1211,1212,
 &end
#
#   27 TYR  HD           33 VAL  MGX         3.50    (#    774:20  Unique         2.42, 5.61 A)
 &rst
  ixpk= 774, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 459, 468,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#   27 TYR  HA           33 VAL  MGX         3.50    (#    775:20  Unique         1.87, 3.83 A)
 &rst
  ixpk= 775, nxpk= 20, iat= 453,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#   65 LEU  HA           33 VAL  MGX         4.50    (#    776:20  Unique         1.94, 3.40 A)
 &rst
  ixpk= 776, nxpk= 20, iat= 994,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#   33 VAL  HB           33 VAL  MGX         3.50    (#    777:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 777, nxpk= 20, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#    0 AMB  20-2:778     33 VAL  MGX         3.50    (#    778:20  Single Ambig)
 &rst
  ixpk= 778, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 218, 219, 220, 211, 212, 213, 478, 479, 480, 482,
       483, 484,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#   65 LEU  MDX          33 VAL  MGX         3.50    (#    779:20  Unique         1.96, 4.60 A)
 &rst
  ixpk= 779, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1001,1002,1003,1005,1006,1007,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#   33 VAL  HA           33 VAL  MGX         3.50    (#    780:20  Unique         2.24, 3.47 A)
 &rst
  ixpk= 780, nxpk= 20, iat= 537,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#    0 AMB  20-2:781      0 AMB  20-1:781    3.50    (#    781:20  Double Ambig)
 &rst
  ixpk= 781, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1214,1215,1208,1209,
 igr2=1211,1212,1211,1212,
 &end
#
#  104 VAL  MGY          36 LEU  MDX         3.50    (#    784:20  Unique         1.99, 4.81 A)
 &rst
  ixpk= 784, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1611,1612,1613,1615,1616,1617,
 igr2= 593, 594, 595, 597, 598, 599,
 &end
#
#   36 LEU  HA           36 LEU  MDX         3.50    (#    785:20  Unique         1.94, 3.15 A)
 &rst
  ixpk= 785, nxpk= 20, iat= 586,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 593, 594, 595, 597, 598, 599,
 &end
#
#   60 VAL  HA           36 LEU  MDX         4.50    (#    786:20  Unique         2.65, 4.60 A)
 &rst
  ixpk= 786, nxpk= 20, iat= 900,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 593, 594, 595, 597, 598, 599,
 &end
#
#    0 AMB  20-2:788     36 LEU  MDX         4.50    (#    788:20  Single Ambig)
 &rst
  ixpk= 788, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 904, 905, 906, 908, 909, 910, 588, 589,
 igr2= 593, 594, 595, 597, 598, 599,
 &end
#
#   36 LEU  HG           36 LEU  MDX         3.50    (#    789:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 789, nxpk= 20, iat= 591,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 593, 594, 595, 597, 598, 599,
 &end
#
#   26 ILE  HN           25 ALA  MB          3.50    (#    790:20  Unique         2.08, 3.03 A)
 &rst
  ixpk= 790, nxpk= 20, iat= 432,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 426, 427, 428,
 &end
#
#   25 ALA  HA           25 ALA  MB          2.80    (#    791:20  Unique         2.29, 2.63 A)
 &rst
  ixpk= 791, nxpk= 20, iat= 424,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 426, 427, 428,
 &end
#
#   35 HIS  HB+          25 ALA  MB          3.50    (#    792:20  Unique         1.98, 3.42 A)
 &rst
  ixpk= 792, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 571, 572,
 igr2= 426, 427, 428,
 &end
#
#   33 VAL  HB           25 ALA  MB          3.50    (#    793:20  Unique         2.36, 3.72 A)
 &rst
  ixpk= 793, nxpk= 20, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 426, 427, 428,
 &end
#
#   61 LYS  HN           60 VAL  MGX         3.50    (#    795:20  Unique         2.15, 4.11 A)
 &rst
  ixpk= 795, nxpk= 20, iat= 914,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#  100 VAL  HA           60 VAL  MGX         3.50    (#    796:20  Unique         2.00, 3.63 A)
 &rst
  ixpk= 796, nxpk= 20, iat=1552,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:797      0 AMB  20-1:797    2.80    (#    797:20  Double Ambig)
 &rst
  ixpk= 797, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.11, r4= 6.86,
 igr1= 442, 443, 806, 807, 809, 555,
 igr2= 195, 196, 197, 199, 200, 201, 811, 812, 813, 815,
       816, 817, 557, 558, 559, 561, 562, 563,
 &end
#
#    0 AMB  20-2:798      0 AMB  20-1:798    4.50    (#    798:20  Double Ambig)
 &rst
  ixpk= 798, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 588, 589, 438, 439, 440,
 igr2=1692,1693,1694,1696,1697,1698,1825,1826,1827,1829,
      1830,1831,
 &end
#
#    0 AMB  20-2:799     25 ALA  MB          2.80    (#    799:20  Single Ambig)
 &rst
  ixpk= 799, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
      1055,1056,
 igr2= 426, 427, 428,
 &end
#
#  116 PHE  HE           60 VAL  MGX         3.50    (#    800:20  Unique         2.00, 4.26 A)
 &rst
  ixpk= 800, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1809,1813,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:801     60 VAL  MGX         3.50    (#    801:20  Single Ambig)
 &rst
  ixpk= 801, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1580,1581, 902,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   87 LEU  HA           87 LEU  MDX         3.50    (#    802:20  Unique         1.96, 3.86 A)
 &rst
  ixpk= 802, nxpk= 20, iat=1337,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1344,1345,1346,1348,1349,1350,
 &end
#
#    0 AMB  20-2:803      0 AMB  20-1:803    3.50    (#    803:20  Double Ambig)
 &rst
  ixpk= 803, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1866,1322,1323,1885,
 igr2=1344,1345,1346,1348,1349,1350, 195, 196, 197, 199,
       200, 201,
 &end
#
#   13 LEU  HA           13 LEU  MDY         3.50    (#    804:20  Unique         1.95, 3.42 A)
 &rst
  ixpk= 804, nxpk= 20, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 195, 196, 197, 199, 200, 201,
 &end
#
#    0 AMB  20-2:805      0 AMB  20-1:805    4.50    (#    805:20  Double Ambig)
 &rst
  ixpk= 805, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1893,1894,1194,1195,1259,1260,
 igr2= 195, 196, 197, 199, 200, 201,1274,1275,
 &end
#
#    0 AMB  20-2:806      0 AMB  20-1:806    3.50    (#    806:20  Double Ambig)
 &rst
  ixpk= 806, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1230,1231,1823,
 igr2=1274,1275, 195, 196, 197, 199, 200, 201,
 &end
#
#  105 LEU  HA          105 LEU  MDY         3.50    (#    808:20  Unique         2.00, 3.17 A)
 &rst
  ixpk= 808, nxpk= 20, iat=1623,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1630,1631,1632,1634,1635,1636,
 &end
#
#   57 LYS  HB-         105 LEU  MDY         4.50    (#    809:20  Unique         2.77, 5.65 A)
 &rst
  ixpk= 809, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 851, 852,
 igr2=1630,1631,1632,1634,1635,1636,
 &end
#
#    0 AMB  20-2:810    105 LEU  MDY         2.80    (#    810:20  Single Ambig)
 &rst
  ixpk= 810, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1628,1625,1626,
 igr2=1630,1631,1632,1634,1635,1636,
 &end
#
#    0 AMB  20-2:811      0 AMB  20-1:811    3.50    (#    811:20  Double Ambig)
 &rst
  ixpk= 811, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1= 854, 855, 854, 855,1277,1278,
 igr2=1630,1631,1632,1634,1635,1636,1274,1275,
 &end
#
#    0 AMB  20-2:814    120 LEU  MDX         3.50    (#    814:20  Single Ambig)
 &rst
  ixpk= 814, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1825,1826,1827,1829,1830,1831,1495,1496,1497,1871,
      
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
#   68 VAL  HN           68 VAL  MGX         4.50    (#    815:20  Unique         1.95, 3.77 A)
 &rst
  ixpk= 815, nxpk= 20, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#   65 LEU  HA           68 VAL  MGX         4.50    (#    816:20  Unique         2.31, 3.97 A)
 &rst
  ixpk= 816, nxpk= 20, iat= 994,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#   63 GLU  HB+          68 VAL  MGX         3.50    (#    817:20  Unique         2.04, 4.65 A)
 &rst
  ixpk= 817, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 962, 963,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#  117 VAL  HN          117 VAL  MGY         3.50    (#    818:20  Unique         1.93, 3.09 A)
 &rst
  ixpk= 818, nxpk= 20, iat=1819,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1825,1826,1827,1829,1830,1831,
 &end
#
#  116 PHE  HD          117 VAL  MGY         3.50    (#    819:20  Unique         2.01, 5.68 A)
 &rst
  ixpk= 819, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1807,1815,
 igr2=1825,1826,1827,1829,1830,1831,
 &end
#
#  117 VAL  HA          117 VAL  MGY         3.50    (#    820:20  Unique         2.35, 3.47 A)
 &rst
  ixpk= 820, nxpk= 20, iat=1821,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1825,1826,1827,1829,1830,1831,
 &end
#
#   86 PRO  HD-          87 LEU  MDX         4.50    (#    823:20  Unique         3.01, 6.53 A)
 &rst
  ixpk= 823, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1322,1323,
 igr2=1344,1345,1346,1348,1349,1350,
 &end
#
#  120 LEU  HA          120 LEU  MDX         3.50    (#    824:20  Unique         2.23, 4.03 A)
 &rst
  ixpk= 824, nxpk= 20, iat=1866,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
#    0 AMB  20-2:825    120 LEU  MDX         3.50    (#    825:20  Single Ambig)
 &rst
  ixpk= 825, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1856,1857,1853,1854,1471,1472,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
#    0 AMB  20-2:826    120 LEU  MDX         3.50    (#    826:20  Single Ambig)
 &rst
  ixpk= 826, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1474,1475, 442, 443, 555,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
#    0 AMB  20-2:827    120 LEU  MDX         2.80    (#    827:20  Single Ambig)
 &rst
  ixpk= 827, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.34, r4= 6.09,
 igr1=1540,1541,1542,1544,1545,1546,1868,1869,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
#   63 GLU  HB-          68 VAL  MGX         3.50    (#    830:20  Unique         2.04, 4.65 A)
 &rst
  ixpk= 830, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 962, 963,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#   68 VAL  HB           68 VAL  MGX         3.50    (#    831:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 831, nxpk= 20, iat=1048,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#   59 ILE  HN            0 AMB  20-1:833    3.50    (#    833:20  Single Ambig)
 &rst
  ixpk= 833, nxpk= 20, iat= 879,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 873, 874, 875,1692,1693,1694,1696,1697,1698,
 &end
#
#   58 ALA  HN           58 ALA  MB          3.50    (#    834:20  Unique         2.49, 3.32 A)
 &rst
  ixpk= 834, nxpk= 20, iat= 869,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 873, 874, 875,
 &end
#
#   58 ALA  HA            0 AMB  20-1:835    2.80    (#    835:20  Single Ambig)
 &rst
  ixpk= 835, nxpk= 20, iat= 871,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr2= 873, 874, 875,1692,1693,1694,1696,1697,1698,
 &end
#
#   36 LEU  HB+         108 LEU  MDY         4.50    (#    836:20  Unique         1.97, 4.60 A)
 &rst
  ixpk= 836, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 588, 589,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#   36 LEU  MDX           0 AMB  20-1:838    3.50    (#    838:20  Single Ambig)
 &rst
  ixpk= 838, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.80, r4= 7.55,
 igr1= 593, 594, 595, 597, 598, 599,
 igr2= 873, 874, 875,1692,1693,1694,1696,1697,1698,
 &end
#
#   83 LYS  HA           83 LYS  HG-         3.50    (#    839:20  Unique         2.30, 3.43 A)
 &rst
  ixpk= 839, nxpk= 20, iat=1269,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1274,1275,
 &end
#
#    0 AMB  20-2:840     34 VAL  MGY         3.50    (#    840:20  Single Ambig)
 &rst
  ixpk= 840, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1535,1536,1505,1506,1505,1506,
 igr2= 557, 558, 559, 561, 562, 563,
 &end
#
#    0 AMB  20-2:843    109 THR  MG2         2.80    (#    843:20  Single Ambig)
 &rst
  ixpk= 843, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1704,1706,
 igr2=1708,1709,1710,
 &end
#
#  107 LYS  HB+         109 THR  MG2         3.50    (#    844:20  Unique         2.58, 4.87 A)
 &rst
  ixpk= 844, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1665,1666,
 igr2=1708,1709,1710,
 &end
#
#  101 GLY  HN          100 VAL  MGY         3.50    (#    846:20  Unique         1.92, 3.70 A)
 &rst
  ixpk= 846, nxpk= 20, iat=1566,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#   62 LYS  HN          100 VAL  MGY         4.50    (#    847:20  Unique         2.55, 4.32 A)
 &rst
  ixpk= 847, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#   61 LYS  HA          100 VAL  MGY         4.50    (#    848:20  Unique         2.07, 4.26 A)
 &rst
  ixpk= 848, nxpk= 20, iat= 916,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#  100 VAL  HA          100 VAL  MGY         3.50    (#    849:20  Unique         2.10, 3.36 A)
 &rst
  ixpk= 849, nxpk= 20, iat=1552,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#  100 VAL  HB          100 VAL  MGY         3.50    (#    850:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 850, nxpk= 20, iat=1554,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#   62 LYS  HB-         100 VAL  MGY         4.50    (#    851:20  Unique         1.98, 3.72 A)
 &rst
  ixpk= 851, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 940, 941,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#   62 LYS  HB+         100 VAL  MGY         3.50    (#    852:20  Unique         1.98, 3.72 A)
 &rst
  ixpk= 852, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 940, 941,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#    0 AMB  20-2:854     64 LEU  MDX         4.50    (#    854:20  Single Ambig)
 &rst
  ixpk= 854, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 522, 531,1021,1026,
 igr2= 982, 983, 984, 986, 987, 988,
 &end
#
#   64 LEU  HB-          64 LEU  MDX         4.50    (#    855:20  Unique         2.03, 3.28 A)
 &rst
  ixpk= 855, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 977, 978,
 igr2= 982, 983, 984, 986, 987, 988,
 &end
#
#   64 LEU  HB+          64 LEU  MDX         4.50    (#    857:20  Unique         2.03, 3.28 A)
 &rst
  ixpk= 857, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 977, 978,
 igr2= 982, 983, 984, 986, 987, 988,
 &end
#
#    0 AMB  20-2:858     76 VAL  MGX         3.50    (#    858:20  Single Ambig)
 &rst
  ixpk= 858, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 218, 219, 220, 124, 125,
 igr2=1166,1167,1168,1170,1171,1172,
 &end
#
#   65 LEU  HA           65 LEU  MDX         3.50    (#    859:20  Unique         2.19, 3.92 A)
 &rst
  ixpk= 859, nxpk= 20, iat= 994,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1001,1002,1003,1005,1006,1007,
 &end
#
#   65 LEU  HB-          65 LEU  MDX         4.50    (#    860:20  Unique         2.05, 3.27 A)
 &rst
  ixpk= 860, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 996, 997,
 igr2=1001,1002,1003,1005,1006,1007,
 &end
#
#    0 AMB  20-2:861     65 LEU  MDX         3.50    (#    861:20  Single Ambig)
 &rst
  ixpk= 861, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 215, 216,1064,1065,1066,
 igr2=1001,1002,1003,1005,1006,1007,
 &end
#
#   65 LEU  HG           65 LEU  MDX         3.50    (#    862:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 862, nxpk= 20, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1001,1002,1003,1005,1006,1007,
 &end
#
#   33 VAL  MGX          65 LEU  MDX         3.50    (#    863:20  Unique         1.96, 4.60 A)
 &rst
  ixpk= 863, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 541, 542, 543, 545, 546, 547,
 igr2=1001,1002,1003,1005,1006,1007,
 &end
#
#   64 LEU  HG           64 LEU  MDX         3.50    (#    865:20  Unique         2.21, 2.63 A)
 &rst
  ixpk= 865, nxpk= 20, iat= 980,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 982, 983, 984, 986, 987, 988,
 &end
#
#   55 THR  HA           55 THR  MG2         3.50    (#    867:20  Unique         2.23, 2.99 A)
 &rst
  ixpk= 867, nxpk= 20, iat= 823,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 827, 828, 829,
 &end
#
#   55 THR  HB           55 THR  MG2         3.50    (#    868:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 868, nxpk= 20, iat= 825,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 827, 828, 829,
 &end
#
#   76 VAL  HN           76 VAL  MGX         3.50    (#    872:20  Unique         1.92, 3.66 A)
 &rst
  ixpk= 872, nxpk= 20, iat=1160,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1166,1167,1168,1170,1171,1172,
 &end
#
#   76 VAL  HA           76 VAL  MGX         3.50    (#    873:20  Unique         2.46, 3.51 A)
 &rst
  ixpk= 873, nxpk= 20, iat=1162,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1166,1167,1168,1170,1171,1172,
 &end
#
#    8 PRO  HA           76 VAL  MGX         3.50    (#    874:20  Unique         2.08, 4.61 A)
 &rst
  ixpk= 874, nxpk= 20, iat= 127,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1166,1167,1168,1170,1171,1172,
 &end
#
#   76 VAL  HB           76 VAL  MGX         2.80    (#    875:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 875, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2=1166,1167,1168,1170,1171,1172,
 &end
#
#  104 VAL  MGY          60 VAL  MGY         4.50    (#    876:20  Unique         2.43, 6.52 A)
 &rst
  ixpk= 876, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1611,1612,1613,1615,1616,1617,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   37 ALA  HN           37 ALA  MB          3.50    (#    877:20  Unique         2.33, 3.10 A)
 &rst
  ixpk= 877, nxpk= 20, iat= 603,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 607, 608, 609,
 &end
#
#   38 PRO  HD+          37 ALA  MB          3.50    (#    879:20  Unique         1.99, 3.37 A)
 &rst
  ixpk= 879, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 614, 615,
 igr2= 607, 608, 609,
 &end
#
#   38 PRO  HD-          37 ALA  MB          3.50    (#    880:20  Unique         1.99, 3.37 A)
 &rst
  ixpk= 880, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 614, 615,
 igr2= 607, 608, 609,
 &end
#
#   61 LYS  HE-          37 ALA  MB          4.50    (#    881:20  Unique         3.21, 4.79 A)
 &rst
  ixpk= 881, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 927, 928,
 igr2= 607, 608, 609,
 &end
#
#    0 AMB  20-2:882     37 ALA  MB          2.80    (#    882:20  Single Ambig)
 &rst
  ixpk= 882, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 918, 919, 924, 925,
 igr2= 607, 608, 609,
 &end
#
#   61 LYS  HG+          37 ALA  MB          3.50    (#    883:20  Unique         2.01, 4.52 A)
 &rst
  ixpk= 883, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 921, 922,
 igr2= 607, 608, 609,
 &end
#
#    0 AMB  20-2:885     37 ALA  MB          4.50    (#    885:20  Single Ambig)
 &rst
  ixpk= 885, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.79, r4= 8.54,
 igr1= 885, 886, 887,1692,1693,1694,1696,1697,1698,
 igr2= 607, 608, 609,
 &end
#
#   28 VAL  HA           28 VAL  MGX         3.50    (#    886:20  Unique         2.30, 3.56 A)
 &rst
  ixpk= 886, nxpk= 20, iat= 474,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#   28 VAL  HB           28 VAL  MGX         3.50    (#    887:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 887, nxpk= 20, iat= 476,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#   34 VAL  HB           28 VAL  MGX         4.50    (#    888:20  Unique         4.13, 6.24 A)
 &rst
  ixpk= 888, nxpk= 20, iat= 555,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#   96 ALA  MB           28 VAL  MGX         2.80    (#    889:20  Unique         2.27, 4.88 A)
 &rst
  ixpk= 889, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1=1495,1496,1497,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#   60 VAL  HN           60 VAL  MGY         3.50    (#    891:20  Unique         2.34, 4.04 A)
 &rst
  ixpk= 891, nxpk= 20, iat= 898,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#  116 PHE  HE           60 VAL  MGY         3.50    (#    892:20  Unique         2.00, 4.26 A)
 &rst
  ixpk= 892, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1809,1813,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   59 ILE  HA           60 VAL  MGY         4.50    (#    893:20  Unique         3.27, 5.47 A)
 &rst
  ixpk= 893, nxpk= 20, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   36 LEU  MDX          60 VAL  MGY         3.50    (#    894:20  Unique         1.91, 5.46 A)
 &rst
  ixpk= 894, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 593, 594, 595, 597, 598, 599,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   60 VAL  HA           60 VAL  MGY         3.50    (#    895:20  Unique         2.25, 3.11 A)
 &rst
  ixpk= 895, nxpk= 20, iat= 900,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:896     60 VAL  MGY         3.50    (#    896:20  Single Ambig)
 &rst
  ixpk= 896, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1580,1581, 902,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#  102 GLN  HB+          60 VAL  MGY         4.50    (#    897:20  Unique         2.45, 6.00 A)
 &rst
  ixpk= 897, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1577,1578,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:898     60 VAL  MGY         3.50    (#    898:20  Single Ambig)
 &rst
  ixpk= 898, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1535,1536, 555,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:899    104 VAL  MGX         3.50    (#    899:20  Single Ambig)
 &rst
  ixpk= 899, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 869,1605,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#  104 VAL  HA          104 VAL  MGX         3.50    (#    900:20  Unique         2.49, 3.50 A)
 &rst
  ixpk= 900, nxpk= 20, iat=1607,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#  104 VAL  HB          104 VAL  MGX         3.50    (#    901:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 901, nxpk= 20, iat=1609,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#   36 LEU  MDX         104 VAL  MGX         4.50    (#    904:20  Unique         1.99, 4.81 A)
 &rst
  ixpk= 904, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 593, 594, 595, 597, 598, 599,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#   35 HIS  HN           34 VAL  MGX         3.50    (#    906:20  Unique         1.94, 4.18 A)
 &rst
  ixpk= 906, nxpk= 20, iat= 567,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 557, 558, 559, 561, 562, 563,
 &end
#
#   34 VAL  HA           34 VAL  MGX         4.50    (#    907:20  Unique         2.16, 3.15 A)
 &rst
  ixpk= 907, nxpk= 20, iat= 553,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 557, 558, 559, 561, 562, 563,
 &end
#
#   34 VAL  HB           34 VAL  MGX         3.50    (#    908:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 908, nxpk= 20, iat= 555,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 557, 558, 559, 561, 562, 563,
 &end
#
#   96 ALA  MB           34 VAL  MGX         3.50    (#    909:20  Unique         1.99, 4.24 A)
 &rst
  ixpk= 909, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1495,1496,1497,
 igr2= 557, 558, 559, 561, 562, 563,
 &end
#
#   50 VAL  HB           50 VAL  MGY         2.80    (#    911:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 911, nxpk= 20, iat= 752,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 754, 755, 756, 758, 759, 760,
 &end
#
#    0 AMB  20-2:912      0 AMB  20-1:912    3.50    (#    912:20  Double Ambig)
 &rst
  ixpk= 912, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 669, 750,
 igr2= 673, 674, 675, 677, 678, 679, 754, 755, 756, 758,
       759, 760,
 &end
#
#   68 VAL  HA           68 VAL  MGY         3.50    (#    913:20  Unique         2.27, 3.11 A)
 &rst
  ixpk= 913, nxpk= 20, iat=1046,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#  118 ASN  HN          117 VAL  MGX         4.50    (#    914:20  Unique         1.90, 3.84 A)
 &rst
  ixpk= 914, nxpk= 20, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1825,1826,1827,1829,1830,1831,
 &end
#
#  117 VAL  HN          117 VAL  MGX         3.50    (#    915:20  Unique         1.93, 3.09 A)
 &rst
  ixpk= 915, nxpk= 20, iat=1819,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1825,1826,1827,1829,1830,1831,
 &end
#
#   24 TRP  HB-         117 VAL  MGX         3.50    (#    916:20  Unique         2.30, 4.51 A)
 &rst
  ixpk= 916, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 402, 403,
 igr2=1825,1826,1827,1829,1830,1831,
 &end
#
#  114 GLU  HA          117 VAL  MGX         3.50    (#    917:20  Unique         1.97, 3.56 A)
 &rst
  ixpk= 917, nxpk= 20, iat=1769,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1825,1826,1827,1829,1830,1831,
 &end
#
#  117 VAL  HB          117 VAL  MGX         3.50    (#    918:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 918, nxpk= 20, iat=1823,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1825,1826,1827,1829,1830,1831,
 &end
#
#   13 LEU  MDY         117 VAL  MGX         4.50    (#    919:20  Unique         1.98, 5.24 A)
 &rst
  ixpk= 919, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1= 195, 196, 197, 199, 200, 201,
 igr2=1825,1826,1827,1829,1830,1831,
 &end
#
#    0 AMB  20-2:920     42 VAL  MGY         4.50    (#    920:20  Single Ambig)
 &rst
  ixpk= 920, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 659, 660, 659, 660,
 igr2= 673, 674, 675, 677, 678, 679,
 &end
#
#   42 VAL  HB           42 VAL  MGY         2.80    (#    921:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 921, nxpk= 20, iat= 671,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr2= 673, 674, 675, 677, 678, 679,
 &end
#
#    0 AMB  20-2:922    124 VAL  MGX         4.50    (#    922:20  Single Ambig)
 &rst
  ixpk= 922, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1937,1930,1931,
 igr2=1941,1942,1943,1945,1946,1947,
 &end
#
#  124 VAL  HB          124 VAL  MGX         3.50    (#    923:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 923, nxpk= 20, iat=1939,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1941,1942,1943,1945,1946,1947,
 &end
#
#   68 VAL  HB           68 VAL  MGY         3.50    (#    924:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 924, nxpk= 20, iat=1048,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#   25 ALA  MB           68 VAL  MGY         4.50    (#    925:20  Unique         2.53, 5.59 A)
 &rst
  ixpk= 925, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 426, 427, 428,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#  125 ALA  HA          125 ALA  MB          3.50    (#    928:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 928, nxpk= 20, iat=1953,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1955,1956,1957,
 &end
#
#   77 ASN  HN           76 VAL  MGY         3.50    (#    929:20  Unique         2.91, 4.58 A)
 &rst
  ixpk= 929, nxpk= 20, iat=1176,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1166,1167,1168,1170,1171,1172,
 &end
#
#   76 VAL  HA           76 VAL  MGY         3.50    (#    930:20  Unique         2.46, 3.51 A)
 &rst
  ixpk= 930, nxpk= 20, iat=1162,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1166,1167,1168,1170,1171,1172,
 &end
#
#   12 ASP  HB+          76 VAL  MGY         3.50    (#    931:20  Unique         1.95, 4.20 A)
 &rst
  ixpk= 931, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 178, 179,
 igr2=1166,1167,1168,1170,1171,1172,
 &end
#
#   76 VAL  HB           76 VAL  MGY         3.50    (#    932:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 932, nxpk= 20, iat=1164,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1166,1167,1168,1170,1171,1172,
 &end
#
#    0 AMB  20-2:935    104 VAL  MGY         3.50    (#    935:20  Single Ambig)
 &rst
  ixpk= 935, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 869,1605,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#  104 VAL  HB          104 VAL  MGY         3.50    (#    936:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 936, nxpk= 20, iat=1609,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#   58 ALA  MB          104 VAL  MGY         3.50    (#    937:20  Unique         1.98, 4.64 A)
 &rst
  ixpk= 937, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 873, 874, 875,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#   36 LEU  MDX         104 VAL  MGY         3.50    (#    939:20  Unique         1.99, 4.81 A)
 &rst
  ixpk= 939, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 593, 594, 595, 597, 598, 599,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#  124 VAL  HA          124 VAL  MGY         4.50    (#    941:20  Unique         2.31, 3.33 A)
 &rst
  ixpk= 941, nxpk= 20, iat=1937,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1941,1942,1943,1945,1946,1947,
 &end
#
#  124 VAL  HB          124 VAL  MGY         3.50    (#    942:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 942, nxpk= 20, iat=1939,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1941,1942,1943,1945,1946,1947,
 &end
#
#    0 AMB  20-2:945      0 AMB  20-1:945    2.80    (#    945:20  Double Ambig)
 &rst
  ixpk= 945, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.85, r4= 5.60,
 igr1= 729, 685, 794,
 igr2= 731, 732, 733, 687, 688, 689, 796, 797, 798,
 &end
#
#    0 AMB  20-2:946      0 AMB  20-1:946    4.50    (#    946:20  Double Ambig)
 &rst
  ixpk= 946, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
 igr1= 785, 786, 695, 696, 741, 742,
 igr2= 796, 797, 798, 687, 688, 689, 731, 732, 733,
 &end
#
#   42 VAL  HB           43 ALA  MB          3.50    (#    947:20  Unique         3.18, 4.48 A)
 &rst
  ixpk= 947, nxpk= 20, iat= 671,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 687, 688, 689,
 &end
#
#   28 VAL  HN           28 VAL  MGY         3.50    (#    948:20  Unique         2.34, 3.29 A)
 &rst
  ixpk= 948, nxpk= 20, iat= 472,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#   33 VAL  HA           28 VAL  MGY         4.50    (#    949:20  Unique         2.10, 3.90 A)
 &rst
  ixpk= 949, nxpk= 20, iat= 537,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#    0 AMB  20-2:950     28 VAL  MGY         3.50    (#    950:20  Single Ambig)
 &rst
  ixpk= 950, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 453, 516,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#   32 TYR  HB-          28 VAL  MGY         3.50    (#    951:20  Unique         2.16, 4.36 A)
 &rst
  ixpk= 951, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 518, 519,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#   28 VAL  HB           28 VAL  MGY         3.50    (#    952:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 952, nxpk= 20, iat= 476,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#   62 LYS  HE+          28 VAL  MGY         4.50    (#    953:20  Unique         2.06, 4.80 A)
 &rst
  ixpk= 953, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 949, 950,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#   69 ALA  HN           69 ALA  MB          3.50    (#    957:20  Unique         2.08, 2.90 A)
 &rst
  ixpk= 957, nxpk= 20, iat=1060,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1064,1065,1066,
 &end
#
#   93 ILE  HG1+         93 ILE  QG2         3.50    (#    958:20  Unique         2.08, 3.42 A)
 &rst
  ixpk= 958, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1441,1442,
 igr2=1437,1438,1439,
 &end
#
#   97 GLU  HG+          93 ILE  QG2         4.50    (#    959:20  Unique         2.23, 4.77 A)
 &rst
  ixpk= 959, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1508,1509,
 igr2=1437,1438,1439,
 &end
#
#    0 AMB  20-2:960     96 ALA  MB          2.80    (#    960:20  Single Ambig)
 &rst
  ixpk= 960, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1491,1501,
 igr2=1495,1496,1497,
 &end
#
#   96 ALA  HA           96 ALA  MB          3.50    (#    961:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 961, nxpk= 20, iat=1493,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1495,1496,1497,
 &end
#
#   93 ILE  HA           96 ALA  MB          3.50    (#    962:20  Unique         2.15, 3.32 A)
 &rst
  ixpk= 962, nxpk= 20, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1495,1496,1497,
 &end
#
#   34 VAL  HB           96 ALA  MB          3.50    (#    963:20  Unique         2.84, 4.20 A)
 &rst
  ixpk= 963, nxpk= 20, iat= 555,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1495,1496,1497,
 &end
#
#    0 AMB  20-2:964     96 ALA  MB          3.50    (#    964:20  Single Ambig)
 &rst
  ixpk= 964, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.53, r4= 7.28,
 igr1=1868,1869,1556,1557,1558,1560,1561,1562,1540,1541,
      1542,1544,1545,1546,
 igr2=1495,1496,1497,
 &end
#
#    0 AMB  20-2:965     96 ALA  MB          2.80    (#    965:20  Single Ambig)
 &rst
  ixpk= 965, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.09, r4= 5.84,
 igr1= 557, 558, 559, 561, 562, 563, 478, 479, 480, 482,
       483, 484,
 igr2=1495,1496,1497,
 &end
#
#  120 LEU  MDX          96 ALA  MB          4.50    (#    966:20  Unique         2.14, 5.07 A)
 &rst
  ixpk= 966, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2=1495,1496,1497,
 &end
#
#  120 LEU  MDY          96 ALA  MB          3.50    (#    967:20  Unique         2.14, 5.07 A)
 &rst
  ixpk= 967, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2=1495,1496,1497,
 &end
#
#   69 ALA  HA           69 ALA  MB          3.50    (#    968:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 968, nxpk= 20, iat=1062,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1064,1065,1066,
 &end
#
#   93 ILE  HA           93 ILE  QG2         3.50    (#    969:20  Unique         2.27, 3.06 A)
 &rst
  ixpk= 969, nxpk= 20, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1437,1438,1439,
 &end
#
#   28 VAL  HB           93 ILE  QG2         4.50    (#    970:20  Unique         1.99, 2.86 A)
 &rst
  ixpk= 970, nxpk= 20, iat= 476,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1437,1438,1439,
 &end
#
#   97 GLU  HG-          93 ILE  QG2         4.50    (#    971:20  Unique         2.23, 4.77 A)
 &rst
  ixpk= 971, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1508,1509,
 igr2=1437,1438,1439,
 &end
#
#   93 ILE  HB           93 ILE  QG2         2.80    (#    972:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 972, nxpk= 20, iat=1435,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2=1437,1438,1439,
 &end
#
#   93 ILE  HG1-         93 ILE  QG2         3.50    (#    973:20  Unique         2.08, 3.42 A)
 &rst
  ixpk= 973, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1441,1442,
 igr2=1437,1438,1439,
 &end
#
#   16 ILE  HA           16 ILE  QG2         3.50    (#    974:20  Unique         2.17, 3.05 A)
 &rst
  ixpk= 974, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 245, 246, 247,
 &end
#
#    0 AMB  20-2:975     16 ILE  QG2         4.50    (#    975:20  Single Ambig)
 &rst
  ixpk= 975, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1081,1082,1062,
 igr2= 245, 246, 247,
 &end
#
#   74 TYR  HB+          16 ILE  QG2         3.50    (#    976:20  Unique         1.98, 4.23 A)
 &rst
  ixpk= 976, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1126,1127,
 igr2= 245, 246, 247,
 &end
#
#    0 AMB  20-2:977     16 ILE  QG2         3.50    (#    977:20  Single Ambig)
 &rst
  ixpk= 977, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 285, 286, 243,
 igr2= 245, 246, 247,
 &end
#
#    0 AMB  20-2:978     16 ILE  QG2         3.50    (#    978:20  Single Ambig)
 &rst
  ixpk= 978, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 285, 286, 249, 250,
 igr2= 245, 246, 247,
 &end
#
#   69 ALA  MB           16 ILE  QG2         4.50    (#    979:20  Unique         1.99, 5.03 A)
 &rst
  ixpk= 979, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1064,1065,1066,
 igr2= 245, 246, 247,
 &end
#
#   16 ILE  QD1          16 ILE  QG2         3.50    (#    980:20  Unique         1.99, 3.53 A)
 &rst
  ixpk= 980, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 252, 253, 254,
 igr2= 245, 246, 247,
 &end
#
#   33 VAL  HN           33 VAL  MGY         3.50    (#    981:20  Unique         2.10, 3.48 A)
 &rst
  ixpk= 981, nxpk= 20, iat= 535,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#   63 GLU  HN           33 VAL  MGY         4.50    (#    982:20  Unique         2.94, 5.14 A)
 &rst
  ixpk= 982, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#   65 LEU  HA           33 VAL  MGY         3.50    (#    983:20  Unique         1.94, 3.40 A)
 &rst
  ixpk= 983, nxpk= 20, iat= 994,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#   33 VAL  HB           33 VAL  MGY         3.50    (#    984:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 984, nxpk= 20, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#    0 AMB  20-2:985     33 VAL  MGY         3.50    (#    985:20  Single Ambig)
 &rst
  ixpk= 985, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 215, 216, 426, 427, 428,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#   92 ILE  HA           92 ILE  QG2         3.50    (#    987:20  Unique         2.34, 3.19 A)
 &rst
  ixpk= 987, nxpk= 20, iat=1414,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1418,1419,1420,
 &end
#
#   74 TYR  HD           14 ILE  QG2         3.50    (#    988:20  Unique         3.00, 5.15 A)
 &rst
  ixpk= 988, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1130,1139,
 igr2= 211, 212, 213,
 &end
#
#   14 ILE  HB           14 ILE  QG2         3.50    (#    989:20  Unique         2.24, 2.63 A)
 &rst
  ixpk= 989, nxpk= 20, iat= 209,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 211, 212, 213,
 &end
#
#   14 ILE  HG1-         14 ILE  QG2         4.50    (#    990:20  Unique         2.26, 3.50 A)
 &rst
  ixpk= 990, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 215, 216,
 igr2= 211, 212, 213,
 &end
#
#    0 AMB  20-2:991     14 ILE  QG2         3.50    (#    991:20  Single Ambig)
 &rst
  ixpk= 991, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 215, 216, 426, 427, 428,
 igr2= 211, 212, 213,
 &end
#
#   14 ILE  HA           14 ILE  QG2         3.50    (#    992:20  Unique         2.28, 3.07 A)
 &rst
  ixpk= 992, nxpk= 20, iat= 207,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 211, 212, 213,
 &end
#
#   74 TYR  HB+          14 ILE  QG2         3.50    (#    993:20  Unique         2.93, 4.16 A)
 &rst
  ixpk= 993, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1126,1127,
 igr2= 211, 212, 213,
 &end
#
#   16 ILE  HG1+         14 ILE  QG2         3.50    (#    994:20  Unique         2.86, 4.58 A)
 &rst
  ixpk= 994, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 249, 250,
 igr2= 211, 212, 213,
 &end
#
#   65 LEU  MDX          14 ILE  QG2         3.50    (#    995:20  Unique         1.97, 4.03 A)
 &rst
  ixpk= 995, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1001,1002,1003,1005,1006,1007,
 igr2= 211, 212, 213,
 &end
#
#  121 ARG  HA           92 ILE  QG2         3.50    (#    996:20  Unique         2.05, 4.26 A)
 &rst
  ixpk= 996, nxpk= 20, iat=1885,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1418,1419,1420,
 &end
#
#   11 GLY  HA+          92 ILE  QG2         3.50    (#    997:20  Unique         1.97, 3.23 A)
 &rst
  ixpk= 997, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 169, 170,
 igr2=1418,1419,1420,
 &end
#
#   92 ILE  HB           92 ILE  QG2         3.50    (#    998:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 998, nxpk= 20, iat=1416,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1418,1419,1420,
 &end
#
#    0 AMB  20-2:999     92 ILE  QG2         3.50    (#    999:20  Single Ambig)
 &rst
  ixpk= 999, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1422,1423, 442, 443,
 igr2=1418,1419,1420,
 &end
#
#    0 AMB  20-2:1000    92 ILE  QG2         4.50    (#   1000:20  Single Ambig)
 &rst
  ixpk= 1000, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1441,1442,1887,1888,
 igr2=1418,1419,1420,
 &end
#
#   92 ILE  HG1-         92 ILE  QG2         3.50    (#   1001:20  Unique         1.98, 3.35 A)
 &rst
  ixpk= 1001, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1422,1423,
 igr2=1418,1419,1420,
 &end
#
#    0 AMB  20-2:1002    92 ILE  QG2         2.80    (#   1002:20  Single Ambig)
 &rst
  ixpk= 1002, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1=1425,1426,1427,1868,1869,
 igr2=1418,1419,1420,
 &end
#
#    0 AMB  20-2:1005     5 ILE  QG2         4.50    (#   1005:20  Single Ambig)
 &rst
  ixpk= 1005, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=  73, 124, 125,
 igr2=  75,  76,  77,
 &end
#
#    0 AMB  20-2:1006    59 ILE  QG2         2.80    (#   1006:20  Single Ambig)
 &rst
  ixpk= 1006, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.40, r4= 5.15,
 igr1= 889, 890, 607, 608, 609,
 igr2= 885, 886, 887,
 &end
#
#   60 VAL  HN           59 ILE  QG2         4.50    (#   1007:20  Unique         2.10, 4.43 A)
 &rst
  ixpk= 1007, nxpk= 20, iat= 898,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 885, 886, 887,
 &end
#
#   59 ILE  HA           59 ILE  QG2         3.50    (#   1008:20  Unique         2.53, 3.23 A)
 &rst
  ixpk= 1008, nxpk= 20, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 885, 886, 887,
 &end
#
#   59 ILE  HB           59 ILE  QG2         2.80    (#   1009:20  Unique         2.36, 2.63 A)
 &rst
  ixpk= 1009, nxpk= 20, iat= 883,  -1, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr2= 885, 886, 887,
 &end
#
#   59 ILE  HG1-         59 ILE  QG2         3.50    (#   1010:20  Unique         2.45, 3.51 A)
 &rst
  ixpk= 1010, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 889, 890,
 igr2= 885, 886, 887,
 &end
#
#    0 AMB  20-2:1011    26 ILE  QD1         2.80    (#   1011:20  Single Ambig)
 &rst
  ixpk= 1011, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 442, 443,1422,1423,
 igr2= 445, 446, 447,
 &end
#
#   26 ILE  QG2          26 ILE  QD1         2.80    (#   1012:20  Unique         2.57, 4.25 A)
 &rst
  ixpk= 1012, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 438, 439, 440,
 igr2= 445, 446, 447,
 &end
#
#   26 ILE  HN           26 ILE  QG2         3.50    (#   1013:20  Unique         2.03, 3.17 A)
 &rst
  ixpk= 1013, nxpk= 20, iat= 432,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 438, 439, 440,
 &end
#
#   34 VAL  HB           26 ILE  QG2         3.50    (#   1014:20  Unique         1.94, 2.54 A)
 &rst
  ixpk= 1014, nxpk= 20, iat= 555,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 438, 439, 440,
 &end
#
#   26 ILE  HB           26 ILE  QG2         3.50    (#   1015:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1015, nxpk= 20, iat= 436,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 438, 439, 440,
 &end
#
#  120 LEU  MDY          26 ILE  QG2         3.50    (#   1016:20  Unique         1.98, 5.15 A)
 &rst
  ixpk= 1016, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2= 438, 439, 440,
 &end
#
#    0 AMB  20-2:1017    26 ILE  QG2         3.50    (#   1017:20  Single Ambig)
 &rst
  ixpk= 1017, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
 igr1=1825,1826,1827,1829,1830,1831,1495,1496,1497,
 igr2= 438, 439, 440,
 &end
#
#   28 VAL  MGX          26 ILE  QG2         2.80    (#   1018:20  Unique         2.28, 5.45 A)
 &rst
  ixpk= 1018, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 478, 479, 480, 482, 483, 484,
 igr2= 438, 439, 440,
 &end
#
#    0 AMB  20-2:1019    92 ILE  QD1         3.50    (#   1019:20  Single Ambig)
 &rst
  ixpk= 1019, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1370,1885,
 igr2=1425,1426,1427,
 &end
#
#   92 ILE  HB           92 ILE  QD1         3.50    (#   1020:20  Unique         2.11, 2.98 A)
 &rst
  ixpk= 1020, nxpk= 20, iat=1416,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1425,1426,1427,
 &end
#
#   92 ILE  HG1+         92 ILE  QD1         3.50    (#   1021:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1021, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1422,1423,
 igr2=1425,1426,1427,
 &end
#
#    0 AMB  20-2:1022    92 ILE  QD1         3.50    (#   1022:20  Single Ambig)
 &rst
  ixpk= 1022, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1339,1340,1887,1888,
 igr2=1425,1426,1427,
 &end
#
#   92 ILE  HG1-         92 ILE  QD1         3.50    (#   1023:20  Unique         2.20, 2.62 A)
 &rst
  ixpk= 1023, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1422,1423,
 igr2=1425,1426,1427,
 &end
#
#   92 ILE  QG2          92 ILE  QD1         3.50    (#   1024:20  Unique         2.04, 4.05 A)
 &rst
  ixpk= 1024, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1418,1419,1420,
 igr2=1425,1426,1427,
 &end
#
#   16 ILE  HG1+         16 ILE  QD1         3.50    (#   1025:20  Unique         2.21, 2.62 A)
 &rst
  ixpk= 1025, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 249, 250,
 igr2= 252, 253, 254,
 &end
#
#   69 ALA  MB           16 ILE  QD1         3.50    (#   1026:20  Unique         1.98, 3.45 A)
 &rst
  ixpk= 1026, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1064,1065,1066,
 igr2= 252, 253, 254,
 &end
#
#   16 ILE  QG2          16 ILE  QD1         3.50    (#   1027:20  Unique         1.99, 3.53 A)
 &rst
  ixpk= 1027, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 245, 246, 247,
 igr2= 252, 253, 254,
 &end
#
#   59 ILE  HG1-         59 ILE  QD1         3.50    (#   1028:20  Unique         2.23, 2.62 A)
 &rst
  ixpk= 1028, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 889, 890,
 igr2= 892, 893, 894,
 &end
#
#    0 AMB  20-2:1029     0 AMB  20-1:1029   2.80    (#   1029:20  Double Ambig)
 &rst
  ixpk= 1029, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.22, r4= 5.97,
 igr1=  79,  80, 889, 890, 607, 608, 609,
 igr2=  82,  83,  84, 892, 893, 894,
 &end
#
#   28 VAL  HA           93 ILE  QD1         4.50    (#   1030:20  Unique         1.98, 3.78 A)
 &rst
  ixpk= 1030, nxpk= 20, iat= 474,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1444,1445,1446,
 &end
#
#   93 ILE  HA           93 ILE  QD1         4.50    (#   1031:20  Unique         2.00, 4.32 A)
 &rst
  ixpk= 1031, nxpk= 20, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1444,1445,1446,
 &end
#
#   10 PRO  HB-          93 ILE  QD1         3.50    (#   1032:20  Unique         1.99, 3.72 A)
 &rst
  ixpk= 1032, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 160, 161,
 igr2=1444,1445,1446,
 &end
#
#    0 AMB  20-2:1033     0 AMB  20-1:1033   3.50    (#   1033:20  Double Ambig)
 &rst
  ixpk= 1033, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1435,  59,  60,
 igr2=1444,1445,1446,  82,  83,  84,
 &end
#
#    0 AMB  20-2:1034     0 AMB  20-1:1034   3.50    (#   1034:20  Double Ambig)
 &rst
  ixpk= 1034, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1441,1442, 883, 924, 925,
 igr2=1444,1445,1446, 892, 893, 894,
 &end
#
#    0 AMB  20-2:1035     0 AMB  20-1:1035   3.50    (#   1035:20  Double Ambig)
 &rst
  ixpk= 1035, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=  79,  80,1441,1442,
 igr2=  82,  83,  84,1444,1445,1446,
 &end
#
#   14 ILE  HG1-         14 ILE  QD1         3.50    (#   1036:20  Unique         2.24, 2.62 A)
 &rst
  ixpk= 1036, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 215, 216,
 igr2= 218, 219, 220,
 &end
#
#   76 VAL  MGX          14 ILE  QD1         3.50    (#   1037:20  Unique         1.99, 4.56 A)
 &rst
  ixpk= 1037, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1166,1167,1168,1170,1171,1172,
 igr2= 218, 219, 220,
 &end
#
#    0 AMB  20-2:1038    14 ILE  QD1         3.50    (#   1038:20  Single Ambig)
 &rst
  ixpk= 1038, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1162, 207,
 igr2= 218, 219, 220,
 &end
#
#   14 ILE  HG1+         14 ILE  QD1         3.50    (#   1039:20  Unique         2.24, 2.62 A)
 &rst
  ixpk= 1039, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 215, 216,
 igr2= 218, 219, 220,
 &end
#
#  100 VAL  HB          100 VAL  HA          4.50    (#   1040:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 1040, nxpk= 20, iat=1554,1552, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  102 GLN  HN          100 VAL  HA          4.50    (#   1041:20  Unique         3.09, 3.25 A)
 &rst
  ixpk= 1041, nxpk= 20, iat=1573,1552, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  100 VAL  HN          100 VAL  HA          4.50    (#   1042:20  Unique         2.69, 2.76 A)
 &rst
  ixpk= 1042, nxpk= 20, iat=1550,1552, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 VAL  MGY         100 VAL  HA          4.50    (#   1043:20  Unique         2.00, 3.63 A)
 &rst
  ixpk= 1043, nxpk= 20, iat=  -1,1552, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#   92 ILE  HG1+         92 ILE  HA          3.50    (#   1044:20  Unique         2.17, 2.73 A)
 &rst
  ixpk= 1044, nxpk= 20, iat=  -1,1414, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1422,1423,
 &end
#
#    0 AMB  20-2:1045    92 ILE  HA          4.50    (#   1045:20  Single Ambig)
 &rst
  ixpk= 1045, nxpk= 20, iat=  -1,1414, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1425,1426,1427,1868,1869,
 &end
#
#   19 PRO  HG+          19 PRO  HA          4.50    (#   1046:20  Unique         3.85, 3.94 A)
 &rst
  ixpk= 1046, nxpk= 20, iat=  -1, 312, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 306, 307,
 &end
#
#   20 PHE  HN           19 PRO  HA          4.50    (#   1047:20  Unique         3.39, 3.42 A)
 &rst
  ixpk= 1047, nxpk= 20, iat= 316, 312, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1049    93 ILE  HA          4.50    (#   1049:20  Single Ambig)
 &rst
  ixpk= 1049, nxpk= 20, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1491,1501,
 &end
#
#  120 LEU  HB-         117 VAL  HA          3.50    (#   1050:20  Unique         3.46, 4.17 A)
 &rst
  ixpk= 1050, nxpk= 20, iat=  -1,1821, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1868,1869,
 &end
#
#  120 LEU  HN          117 VAL  HA          4.50    (#   1051:20  Unique         3.34, 3.47 A)
 &rst
  ixpk= 1051, nxpk= 20, iat=1864,1821, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  117 VAL  HN          117 VAL  HA          4.50    (#   1052:20  Unique         2.75, 2.77 A)
 &rst
  ixpk= 1052, nxpk= 20, iat=1819,1821, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  116 PHE  HB+         113 CYS  HA          4.50    (#   1053:20  Unique         2.77, 3.61 A)
 &rst
  ixpk= 1053, nxpk= 20, iat=  -1,1758, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1803,1804,
 &end
#
#  113 CYS  HB+         113 CYS  HA          3.50    (#   1054:20  Unique         2.31, 2.73 A)
 &rst
  ixpk= 1054, nxpk= 20, iat=  -1,1758, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1760,1761,
 &end
#
#  116 PHE  HB-         113 CYS  HA          4.50    (#   1055:20  Unique         2.77, 3.61 A)
 &rst
  ixpk= 1055, nxpk= 20, iat=  -1,1758, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1803,1804,
 &end
#
#  113 CYS  HB-         113 CYS  HA          4.50    (#   1056:20  Unique         2.31, 2.73 A)
 &rst
  ixpk= 1056, nxpk= 20, iat=  -1,1758, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1760,1761,
 &end
#
#  114 GLU  HN          113 CYS  HA          4.50    (#   1058:20  Unique         3.56, 3.57 A)
 &rst
  ixpk= 1058, nxpk= 20, iat=1767,1758, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   28 VAL  HA           10 PRO  HA          4.50    (#   1059:20  Unique         2.71, 3.56 A)
 &rst
  ixpk= 1059, nxpk= 20, iat= 474, 163, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 ILE  HG1+         89 CYS  HA          4.50    (#   1060:20  Unique         2.49, 4.35 A)
 &rst
  ixpk= 1060, nxpk= 20, iat=  -1,1370, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1422,1423,
 &end
#
#    0 AMB  20-2:1061     0 AMB  20-1:1061   4.50    (#   1061:20  Double Ambig)
 &rst
  ixpk= 1061, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1412,1243,
 igr2=1370,1314,1315,
 &end
#
#   93 ILE  HN           89 CYS  HA          5.50    (#   1062:20  Unique         3.50, 3.89 A)
 &rst
  ixpk= 1062, nxpk= 20, iat=1431,1370, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:1063     0 AMB  20-1:1063   4.50    (#   1063:20  Double Ambig)
 &rst
  ixpk= 1063, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 889, 890,  79,  80,
 igr2= 637,  98,
 &end
#
#    0 AMB  20-2:1064    39 PRO  HA          4.50    (#   1064:20  Single Ambig)
 &rst
  ixpk= 1064, nxpk= 20, iat=  -1, 637, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 889, 890, 854, 855,
 &end
#
#   59 ILE  HB           39 PRO  HA          5.50    (#   1065:20  Unique         2.86, 4.45 A)
 &rst
  ixpk= 1065, nxpk= 20, iat= 883, 637, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    8 PRO  HG+           8 PRO  HA          4.50    (#   1066:20  Unique         3.85, 3.94 A)
 &rst
  ixpk= 1066, nxpk= 20, iat=  -1, 127, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 121, 122,
 &end
#
#    9 LYS  HG+           8 PRO  HA          5.50    (#   1067:20  Unique         3.32, 4.99 A)
 &rst
  ixpk= 1067, nxpk= 20, iat=  -1, 127, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 138, 139,
 &end
#
#  116 PHE  HB+         116 PHE  HA          3.50    (#   1068:20  Unique         2.24, 2.64 A)
 &rst
  ixpk= 1068, nxpk= 20, iat=  -1,1801, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1803,1804,
 &end
#
#   43 ALA  MB           42 VAL  HA          4.50    (#   1069:20  Unique         4.43, 5.31 A)
 &rst
  ixpk= 1069, nxpk= 20, iat=  -1, 669, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 687, 688, 689,
 &end
#
#   42 VAL  HN           42 VAL  HA          4.50    (#   1070:20  Unique         2.28, 2.89 A)
 &rst
  ixpk= 1070, nxpk= 20, iat= 667, 669, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   43 ALA  HN           42 VAL  HA          4.50    (#   1071:20  Unique         2.42, 2.87 A)
 &rst
  ixpk= 1071, nxpk= 20, iat= 683, 669, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 ASP  HN           55 THR  HA          4.50    (#   1072:20  Unique         2.14, 2.36 A)
 &rst
  ixpk= 1072, nxpk= 20, iat= 835, 823, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 VAL  HB           34 VAL  HA          4.50    (#   1073:20  Unique         2.30, 2.96 A)
 &rst
  ixpk= 1073, nxpk= 20, iat= 555, 553, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1074    34 VAL  HA          4.50    (#   1074:20  Single Ambig)
 &rst
  ixpk= 1074, nxpk= 20, iat=  -1, 553, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 580,1809,1813,
 &end
#
#   63 GLU  HN           34 VAL  HA          4.50    (#   1075:20  Unique         3.40, 3.74 A)
 &rst
  ixpk= 1075, nxpk= 20, iat= 958, 553, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  125 ALA  MB          124 VAL  HA          5.50    (#   1077:20  Unique         4.12, 5.00 A)
 &rst
  ixpk= 1077, nxpk= 20, iat=  -1,1937, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1955,1956,1957,
 &end
#
#   16 ILE  HG1+         16 ILE  HA          5.50    (#   1078:20  Unique         2.36, 3.37 A)
 &rst
  ixpk= 1078, nxpk= 20, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 249, 250,
 &end
#
#   66 TYR  HB+          66 TYR  HA          3.50    (#   1079:20  Unique         2.25, 2.66 A)
 &rst
  ixpk= 1079, nxpk= 20, iat=  -1,1013, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1015,1016,
 &end
#
#  118 ASN  HB+         115 HIS  HA          4.50    (#   1080:20  Unique         2.37, 3.19 A)
 &rst
  ixpk= 1080, nxpk= 20, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1839,1840,
 &end
#
#  114 GLU  HB-         111 GLU  HA          4.50    (#   1081:20  Unique         2.88, 3.72 A)
 &rst
  ixpk= 1081, nxpk= 20, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1771,1772,
 &end
#
#  118 ASN  HD2+        115 HIS  HA          4.50    (#   1082:20  Unique         4.15, 4.88 A)
 &rst
  ixpk= 1082, nxpk= 20, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1844,1845,
 &end
#
#  112 ASN  HN          111 GLU  HA          4.50    (#   1083:20  Unique         3.37, 3.48 A)
 &rst
  ixpk= 1083, nxpk= 20, iat=1742,1729, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  111 GLU  HN          111 GLU  HA          4.50    (#   1084:20  Unique         2.83, 2.88 A)
 &rst
  ixpk= 1084, nxpk= 20, iat=1727,1729, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1085   119 GLU  HA          4.50    (#   1085:20  Single Ambig)
 &rst
  ixpk= 1085, nxpk= 20, iat=  -1,1851, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1864,1915,1924,
 &end
#
#    0 AMB  20-2:1086   119 GLU  HA          4.50    (#   1086:20  Single Ambig)
 &rst
  ixpk= 1086, nxpk= 20, iat=  -1,1851, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1907,1835,
 &end
#
#  100 VAL  HN           97 GLU  HA          4.50    (#   1087:20  Unique         3.34, 3.52 A)
 &rst
  ixpk= 1087, nxpk= 20, iat=1550,1503, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   98 GLU  HN           97 GLU  HA          4.50    (#   1088:20  Unique         3.32, 3.34 A)
 &rst
  ixpk= 1088, nxpk= 20, iat=1516,1503, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  114 GLU  HB-         114 GLU  HA          4.50    (#   1089:20  Unique         2.29, 2.78 A)
 &rst
  ixpk= 1089, nxpk= 20, iat=  -1,1769, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1771,1772,
 &end
#
#   24 TRP  HB+         114 GLU  HA          4.50    (#   1090:20  Unique         2.16, 2.82 A)
 &rst
  ixpk= 1090, nxpk= 20, iat=  -1,1769, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 402, 403,
 &end
#
#  114 GLU  HN          114 GLU  HA          4.50    (#   1091:20  Unique         2.76, 2.78 A)
 &rst
  ixpk= 1091, nxpk= 20, iat=1767,1769, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1092    94 GLN  HA          4.50    (#   1092:20  Single Ambig)
 &rst
  ixpk= 1092, nxpk= 20, iat=  -1,1452, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1501,1491,
 &end
#
#    0 AMB  20-2:1093    26 ILE  HA          4.50    (#   1093:20  Single Ambig)
 &rst
  ixpk= 1093, nxpk= 20, iat=  -1, 434, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 215, 216,1825,1826,1827,1829,1830,1831,
 &end
#
#   26 ILE  QG2          26 ILE  HA          4.50    (#   1094:20  Unique         3.40, 3.88 A)
 &rst
  ixpk= 1094, nxpk= 20, iat=  -1, 434, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 438, 439, 440,
 &end
#
#   13 LEU  HA           26 ILE  HA          4.50    (#   1095:20  Unique         2.12, 2.44 A)
 &rst
  ixpk= 1095, nxpk= 20, iat= 188, 434, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 ILE  HN           26 ILE  HA          4.50    (#   1096:20  Unique         2.94, 2.95 A)
 &rst
  ixpk= 1096, nxpk= 20, iat= 432, 434, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  121 ARG  HN          121 ARG  HA          3.50    (#   1097:20  Unique         2.78, 2.82 A)
 &rst
  ixpk= 1097, nxpk= 20, iat=1883,1885, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 ARG  HD-          95 ARG  HA          4.50    (#   1098:20  Unique         2.15, 3.32 A)
 &rst
  ixpk= 1098, nxpk= 20, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1477,1478,
 &end
#
#   95 ARG  HD+          95 ARG  HA          4.50    (#   1099:20  Unique         2.15, 3.32 A)
 &rst
  ixpk= 1099, nxpk= 20, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1477,1478,
 &end
#
#   99 LEU  HN           98 GLU  HA          4.50    (#   1100:20  Unique         3.38, 3.45 A)
 &rst
  ixpk= 1100, nxpk= 20, iat=1531,1518, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   98 GLU  HN           95 ARG  HA          4.50    (#   1101:20  Unique         3.11, 3.27 A)
 &rst
  ixpk= 1101, nxpk= 20, iat=1516,1469, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   72 ASP  HN           71 SER  HA          4.50    (#   1102:20  Unique         3.10, 3.27 A)
 &rst
  ixpk= 1102, nxpk= 20, iat=1088,1079, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1103    14 ILE  HA          4.50    (#   1103:20  Single Ambig)
 &rst
  ixpk= 1103, nxpk= 20, iat=  -1, 207, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 215, 216, 228, 229,
 &end
#
#   91 LYS  HD+          91 LYS  HA          3.50    (#   1104:20  Unique         2.01, 2.93 A)
 &rst
  ixpk= 1104, nxpk= 20, iat=  -1,1392, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1400,1401,
 &end
#
#    0 AMB  20-2:1105    91 LYS  HA          4.50    (#   1105:20  Single Ambig)
 &rst
  ixpk= 1105, nxpk= 20, iat=  -1,1392, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1462,1463,1450,
 &end
#
#   33 VAL  MGX          65 LEU  HA          4.50    (#   1106:20  Unique         1.94, 3.40 A)
 &rst
  ixpk= 1106, nxpk= 20, iat=  -1, 994, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 541, 542, 543, 545, 546, 547,
 &end
#
#   65 LEU  HG           65 LEU  HA          4.50    (#   1107:20  Unique         2.27, 2.45 A)
 &rst
  ixpk= 1107, nxpk= 20, iat= 999, 994, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   65 LEU  HB-          65 LEU  HA          3.50    (#   1108:20  Unique         2.60, 2.83 A)
 &rst
  ixpk= 1108, nxpk= 20, iat=  -1, 994, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 996, 997,
 &end
#
#   65 LEU  HN           65 LEU  HA          4.50    (#   1109:20  Unique         2.73, 2.74 A)
 &rst
  ixpk= 1109, nxpk= 20, iat= 992, 994, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 VAL  MGY          33 VAL  HA          4.50    (#   1110:20  Unique         2.24, 3.47 A)
 &rst
  ixpk= 1110, nxpk= 20, iat=  -1, 537, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 541, 542, 543, 545, 546, 547,
 &end
#
#   28 VAL  MGY          33 VAL  HA          4.50    (#   1111:20  Unique         2.10, 3.90 A)
 &rst
  ixpk= 1111, nxpk= 20, iat=  -1, 537, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 478, 479, 480, 482, 483, 484,
 &end
#
#    0 AMB  20-2:1112    33 VAL  HA          5.50    (#   1112:20  Single Ambig)
 &rst
  ixpk= 1112, nxpk= 20, iat=  -1, 537, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 426, 427, 428, 215, 216,
 &end
#
#    0 AMB  20-2:1113    33 VAL  HA          4.50    (#   1113:20  Single Ambig)
 &rst
  ixpk= 1113, nxpk= 20, iat=  -1, 537, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 535, 432,
 &end
#
#  120 LEU  MDY         120 LEU  HA          4.50    (#   1114:20  Unique         2.23, 4.03 A)
 &rst
  ixpk= 1114, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
#   87 LEU  MDY         120 LEU  HA          4.50    (#   1115:20  Unique         2.75, 5.54 A)
 &rst
  ixpk= 1115, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1344,1345,1346,1348,1349,1350,
 &end
#
#  120 LEU  HB-         120 LEU  HA          3.50    (#   1116:20  Unique         2.27, 2.62 A)
 &rst
  ixpk= 1116, nxpk= 20, iat=  -1,1866, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1868,1869,
 &end
#
#  120 LEU  HN          120 LEU  HA          4.50    (#   1117:20  Unique         2.88, 2.92 A)
 &rst
  ixpk= 1117, nxpk= 20, iat=1864,1866, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 PHE  HN           17 PHE  HA          4.50    (#   1118:20  Unique         2.82, 2.91 A)
 &rst
  ixpk= 1118, nxpk= 20, iat= 258, 260, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1119     0 AMB  20-1:1119   4.50    (#   1119:20  Double Ambig)
 &rst
  ixpk= 1119, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 193, 977, 978,
 igr2=1837,1034,
 &end
#
#    0 AMB  20-2:1120   118 ASN  HA          3.50    (#   1120:20  Single Ambig)
 &rst
  ixpk= 1120, nxpk= 20, iat=  -1,1837, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1835,1907,
 &end
#
#   83 LYS  HN           83 LYS  HA          3.50    (#   1121:20  Unique         2.88, 2.92 A)
 &rst
  ixpk= 1121, nxpk= 20, iat=1267,1269, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   73 LYS  HG+          73 LYS  HA          3.50    (#   1122:20  Unique         2.06, 3.24 A)
 &rst
  ixpk= 1122, nxpk= 20, iat=  -1,1102, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1107,1108,
 &end
#
#   50 VAL  MGY          51 MET  HA          4.50    (#   1123:20  Unique         3.32, 5.60 A)
 &rst
  ixpk= 1123, nxpk= 20, iat=  -1, 766, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 754, 755, 756, 758, 759, 760,
 &end
#
#   24 TRP  HB+          24 TRP  HA          4.50    (#   1124:20  Unique         2.67, 2.83 A)
 &rst
  ixpk= 1124, nxpk= 20, iat=  -1, 400, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 402, 403,
 &end
#
#    0 AMB  20-2:1125    24 TRP  HA          4.50    (#   1125:20  Single Ambig)
 &rst
  ixpk= 1125, nxpk= 20, iat=  -1, 400, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 426, 427, 428,1825,1826,1827,1829,1830,1831,
 &end
#
#    0 AMB  20-2:1126    24 TRP  HA          4.50    (#   1126:20  Single Ambig)
 &rst
  ixpk= 1126, nxpk= 20, iat=  -1, 400, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1= 228, 229, 211, 212, 213,1774,1775,
 &end
#
#   24 TRP  HN           24 TRP  HA          4.50    (#   1127:20  Unique         2.91, 2.92 A)
 &rst
  ixpk= 1127, nxpk= 20, iat= 398, 400, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   24 TRP  HZ3          24 TRP  HA          5.50    (#   1128:20  Unique         4.90, 5.07 A)
 &rst
  ixpk= 1128, nxpk= 20, iat= 415, 400, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   31 GLY  HN           30 ASP  HA          4.50    (#   1129:20  Unique         2.45, 3.27 A)
 &rst
  ixpk= 1129, nxpk= 20, iat= 507, 497, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  106 TYR  HB-         106 TYR  HA          3.50    (#   1130:20  Unique         2.35, 2.48 A)
 &rst
  ixpk= 1130, nxpk= 20, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1644,1645,
 &end
#
#  106 TYR  HN           57 LYS  HA          4.50    (#   1131:20  Unique         3.00, 3.63 A)
 &rst
  ixpk= 1131, nxpk= 20, iat=1640, 849, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   57 LYS  HN           57 LYS  HA          4.50    (#   1132:20  Unique         2.81, 2.92 A)
 &rst
  ixpk= 1132, nxpk= 20, iat= 847, 849, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  106 TYR  HD          106 TYR  HA          4.50    (#   1133:20  Unique         1.94, 4.14 A)
 &rst
  ixpk= 1133, nxpk= 20, iat=  -1,1642, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1648,1657,
 &end
#
#  107 LYS  HN          106 TYR  HA          2.80    (#   1134:20  Unique         2.21, 2.30 A)
 &rst
  ixpk= 1134, nxpk= 20, iat=1661,1642, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   58 ALA  HN           57 LYS  HA          2.80    (#   1135:20  Unique         2.14, 2.33 A)
 &rst
  ixpk= 1135, nxpk= 20, iat= 869, 849, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   19 PRO  HD-          18 ARG  HA          3.50    (#   1136:20  Unique         2.34, 2.45 A)
 &rst
  ixpk= 1136, nxpk= 20, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 303, 304,
 &end
#
#    0 AMB  20-2:1137    96 ALA  HA          4.50    (#   1137:20  Single Ambig)
 &rst
  ixpk= 1137, nxpk= 20, iat=  -1,1493, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1535,1536, 555,
 &end
#
#    0 AMB  20-2:1138    96 ALA  HA          4.50    (#   1138:20  Single Ambig)
 &rst
  ixpk= 1138, nxpk= 20, iat=  -1,1493, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1538, 940, 941,
 &end
#
#   99 LEU  HB-          96 ALA  HA          4.50    (#   1139:20  Unique         2.97, 4.23 A)
 &rst
  ixpk= 1139, nxpk= 20, iat=  -1,1493, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1535,1536,
 &end
#
#   99 LEU  HN           96 ALA  HA          4.50    (#   1140:20  Unique         3.25, 3.59 A)
 &rst
  ixpk= 1140, nxpk= 20, iat=1531,1493, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  115 HIS  HD2         112 ASN  HA          4.50    (#   1141:20  Unique         3.56, 4.38 A)
 &rst
  ixpk= 1141, nxpk= 20, iat=1795,1744, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  115 HIS  HN          112 ASN  HA          4.50    (#   1142:20  Unique         3.40, 3.51 A)
 &rst
  ixpk= 1142, nxpk= 20, iat=1782,1744, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   64 LEU  HB-          64 LEU  HA          4.50    (#   1143:20  Unique         2.44, 2.81 A)
 &rst
  ixpk= 1143, nxpk= 20, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 977, 978,
 &end
#
#   64 LEU  HG           64 LEU  HA          4.50    (#   1144:20  Unique         2.13, 2.72 A)
 &rst
  ixpk= 1144, nxpk= 20, iat= 980, 975, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   64 LEU  HB+          64 LEU  HA          3.50    (#   1145:20  Unique         2.44, 2.81 A)
 &rst
  ixpk= 1145, nxpk= 20, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 977, 978,
 &end
#
#   32 TYR  HD           64 LEU  HA          5.50    (#   1146:20  Unique         2.44, 4.35 A)
 &rst
  ixpk= 1146, nxpk= 20, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 522, 531,
 &end
#
#    0 AMB  20-2:1147    64 LEU  HA          3.50    (#   1147:20  Single Ambig)
 &rst
  ixpk= 1147, nxpk= 20, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 973, 535,
 &end
#
#   14 ILE  QG2          74 TYR  HA          4.50    (#   1149:20  Unique         4.79, 5.63 A)
 &rst
  ixpk= 1149, nxpk= 20, iat=  -1,1124, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 211, 212, 213,
 &end
#
#   62 LYS  HB-          62 LYS  HA          4.50    (#   1150:20  Unique         2.37, 2.71 A)
 &rst
  ixpk= 1150, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 940, 941,
 &end
#
#   62 LYS  HG+          62 LYS  HA          3.50    (#   1151:20  Unique         2.47, 2.94 A)
 &rst
  ixpk= 1151, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 943, 944,
 &end
#
#   62 LYS  HN           62 LYS  HA          4.50    (#   1153:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 1153, nxpk= 20, iat= 936, 938, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1154    62 LYS  HA          4.50    (#   1154:20  Single Ambig)
 &rst
  ixpk= 1154, nxpk= 20, iat=  -1, 938, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 567, 914,
 &end
#
#   23 HIS  HN           23 HIS  HA          4.50    (#   1155:20  Unique         2.88, 2.94 A)
 &rst
  ixpk= 1155, nxpk= 20, iat= 381, 383, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  107 LYS  HB+          56 ASP  HA          4.50    (#   1156:20  Unique         2.43, 3.94 A)
 &rst
  ixpk= 1156, nxpk= 20, iat=  -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1665,1666,
 &end
#
#  106 TYR  HN          105 LEU  HA          3.50    (#   1157:20  Unique         3.00, 3.26 A)
 &rst
  ixpk= 1157, nxpk= 20, iat=1640,1623, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   56 ASP  HN           56 ASP  HA          4.50    (#   1158:20  Unique         2.27, 2.83 A)
 &rst
  ixpk= 1158, nxpk= 20, iat= 835, 837, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 GLU  HG-          15 GLU  HA          4.50    (#   1159:20  Unique         2.19, 3.06 A)
 &rst
  ixpk= 1159, nxpk= 20, iat=  -1, 226, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 231, 232,
 &end
#
#   15 GLU  HB-          15 GLU  HA          3.50    (#   1160:20  Unique         2.30, 2.72 A)
 &rst
  ixpk= 1160, nxpk= 20, iat=  -1, 226, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 228, 229,
 &end
#
#   24 TRP  HA           15 GLU  HA          4.50    (#   1161:20  Unique         2.42, 2.82 A)
 &rst
  ixpk= 1161, nxpk= 20, iat= 400, 226, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 GLU  HB+           7 GLU  HA          3.50    (#   1162:20  Unique         2.29, 2.63 A)
 &rst
  ixpk= 1162, nxpk= 20, iat=  -1, 104, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 106, 107,
 &end
#
#    7 GLU  HG-           7 GLU  HA          4.50    (#   1163:20  Unique         2.20, 3.39 A)
 &rst
  ixpk= 1163, nxpk= 20, iat=  -1, 104, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 109, 110,
 &end
#
#   86 PRO  HG+          87 LEU  HA          5.50    (#   1164:20  Unique         4.15, 5.42 A)
 &rst
  ixpk= 1164, nxpk= 20, iat=  -1,1337, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1325,1326,
 &end
#
#   87 LEU  HN           87 LEU  HA          4.50    (#   1165:20  Unique         2.74, 2.91 A)
 &rst
  ixpk= 1165, nxpk= 20, iat=1335,1337, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 LEU  MDX          36 LEU  HA          3.50    (#   1166:20  Unique         1.94, 3.15 A)
 &rst
  ixpk= 1166, nxpk= 20, iat=  -1, 586, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 593, 594, 595, 597, 598, 599,
 &end
#
#    0 AMB  20-2:1167    36 LEU  HA          5.50    (#   1167:20  Single Ambig)
 &rst
  ixpk= 1167, nxpk= 20, iat=  -1, 586, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 904, 905, 906, 908, 909, 910,1692,1693,1694,1696,
      1697,1698,
 &end
#
#   36 LEU  HB+          36 LEU  HA          3.50    (#   1168:20  Unique         2.67, 2.84 A)
 &rst
  ixpk= 1168, nxpk= 20, iat=  -1, 586, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 588, 589,
 &end
#
#  118 ASN  HB+         125 ALA  HA          4.50    (#   1169:20  Unique         2.00, 3.45 A)
 &rst
  ixpk= 1169, nxpk= 20, iat=  -1,1953, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1839,1840,
 &end
#
#  118 ASN  HB-         125 ALA  HA          4.50    (#   1170:20  Unique         2.00, 3.45 A)
 &rst
  ixpk= 1170, nxpk= 20, iat=  -1,1953, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1839,1840,
 &end
#
#   60 VAL  HA           36 LEU  HA          3.50    (#   1171:20  Unique         2.53, 2.73 A)
 &rst
  ixpk= 1171, nxpk= 20, iat= 900, 586, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 LEU  HN           36 LEU  HA          4.50    (#   1172:20  Unique         2.88, 2.89 A)
 &rst
  ixpk= 1172, nxpk= 20, iat= 584, 586, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   37 ALA  HN           36 LEU  HA          2.80    (#   1173:20  Unique         2.14, 2.15 A)
 &rst
  ixpk= 1173, nxpk= 20, iat= 603, 586, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  20-2:1174     0 AMB  20-1:1174   4.50    (#   1174:20  Double Ambig)
 &rst
  ixpk= 1174, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 673, 674, 675, 677, 678, 679, 754, 755, 756, 758,
       759, 760,
 igr2= 685, 729,
 &end
#
#   78 ASN  HB-          78 ASN  HA          3.50    (#   1175:20  Unique         2.30, 2.72 A)
 &rst
  ixpk= 1175, nxpk= 20, iat=  -1,1192, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1194,1195,
 &end
#
#   13 LEU  HB-          78 ASN  HA          4.50    (#   1176:20  Unique         1.85, 2.96 A)
 &rst
  ixpk= 1176, nxpk= 20, iat=  -1,1192, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 190, 191,
 &end
#
#   78 ASN  HN           78 ASN  HA          4.50    (#   1177:20  Unique         2.75, 2.85 A)
 &rst
  ixpk= 1177, nxpk= 20, iat=1190,1192, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1178    58 ALA  HA          4.50    (#   1178:20  Single Ambig)
 &rst
  ixpk= 1178, nxpk= 20, iat=  -1, 871, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1692,1693,1694,1696,1697,1698, 885, 886, 887,
 &end
#
#   39 PRO  HD-          58 ALA  HA          4.50    (#   1179:20  Unique         1.98, 3.01 A)
 &rst
  ixpk= 1179, nxpk= 20, iat=  -1, 871, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 628, 629,
 &end
#
#    8 PRO  HG-           8 PRO  HD+         4.50    (#   1182:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1182, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 121, 122,
 igr2= 118, 119,
 &end
#
#   18 ARG  HD-          19 PRO  HD+         2.80    (#   1183:20  Unique         2.07, 4.05 A)
 &rst
  ixpk= 1183, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 288, 289,
 igr2= 303, 304,
 &end
#
#    7 GLU  HG-           6 PRO  HD-         4.50    (#   1184:20  Unique         4.36, 6.08 A)
 &rst
  ixpk= 1184, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 109, 110,
 igr2=  89,  90,
 &end
#
#   87 LEU  MDX          86 PRO  HD+         4.50    (#   1185:20  Unique         3.01, 6.53 A)
 &rst
  ixpk= 1185, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1344,1345,1346,1348,1349,1350,
 igr2=1322,1323,
 &end
#
#   87 LEU  HB-          86 PRO  HD+         4.50    (#   1186:20  Unique         4.40, 6.03 A)
 &rst
  ixpk= 1186, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1339,1340,
 igr2=1322,1323,
 &end
#
#   87 LEU  HB-          86 PRO  HD-         4.50    (#   1187:20  Unique         4.40, 6.03 A)
 &rst
  ixpk= 1187, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1339,1340,
 igr2=1322,1323,
 &end
#
#    0 AMB  20-2:1188    86 PRO  HD-         4.50    (#   1188:20  Single Ambig)
 &rst
  ixpk= 1188, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1342,1339,1340,
 igr2=1322,1323,
 &end
#
#   86 PRO  HB-          86 PRO  HD-         4.50    (#   1189:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1189, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1328,1329,
 igr2=1322,1323,
 &end
#
#  120 LEU  HB+         117 VAL  HA          4.50    (#   1192:20  Unique         3.46, 4.17 A)
 &rst
  ixpk= 1192, nxpk= 20, iat=  -1,1821, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1868,1869,
 &end
#
#   76 VAL  MGY          76 VAL  HA          3.50    (#   1193:20  Unique         2.46, 3.51 A)
 &rst
  ixpk= 1193, nxpk= 20, iat=  -1,1162, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1166,1167,1168,1170,1171,1172,
 &end
#
#   14 ILE  QD1          76 VAL  HA          4.50    (#   1194:20  Unique         1.96, 3.15 A)
 &rst
  ixpk= 1194, nxpk= 20, iat=  -1,1162, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 218, 219, 220,
 &end
#
#   76 VAL  HB           76 VAL  HA          4.50    (#   1195:20  Unique         2.35, 2.42 A)
 &rst
  ixpk= 1195, nxpk= 20, iat=1164,1162, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   77 ASN  HN           76 VAL  HA          3.50    (#   1196:20  Unique         2.14, 2.17 A)
 &rst
  ixpk= 1196, nxpk= 20, iat=1176,1162, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:1197    76 VAL  HA          4.50    (#   1197:20  Single Ambig)
 &rst
  ixpk= 1197, nxpk= 20, iat=  -1,1162, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 224,1160,
 &end
#
#    0 AMB  20-2:1200    86 PRO  HA          4.50    (#   1200:20  Single Ambig)
 &rst
  ixpk= 1200, nxpk= 20, iat=  -1,1331, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1342,1339,1340,1397,1398,
 &end
#
#   86 PRO  HB+          86 PRO  HA          3.50    (#   1201:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1201, nxpk= 20, iat=  -1,1331, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1328,1329,
 &end
#
#    0 AMB  20-2:1202    86 PRO  HA          4.50    (#   1202:20  Single Ambig)
 &rst
  ixpk= 1202, nxpk= 20, iat=  -1,1331, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1325,1326,1293,1294,
 &end
#
#   87 LEU  HN           86 PRO  HA          3.50    (#   1204:20  Unique         3.33, 3.38 A)
 &rst
  ixpk= 1204, nxpk= 20, iat=1335,1331, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 ALA  HN           68 VAL  HA          4.50    (#   1206:20  Unique         3.45, 3.56 A)
 &rst
  ixpk= 1206, nxpk= 20, iat=1060,1046, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1207    68 VAL  HA          2.80    (#   1207:20  Single Ambig)
 &rst
  ixpk= 1207, nxpk= 20, iat=  -1,1046, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
      1055,1056,
 &end
#
#   93 ILE  HG1-         93 ILE  HA          4.50    (#   1208:20  Unique         2.64, 2.96 A)
 &rst
  ixpk= 1208, nxpk= 20, iat=  -1,1433, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1441,1442,
 &end
#
#   94 GLN  HN           93 ILE  HA          4.50    (#   1209:20  Unique         3.52, 3.55 A)
 &rst
  ixpk= 1209, nxpk= 20, iat=1450,1433, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 ILE  HB          117 VAL  HA          5.50    (#   1210:20  Unique         2.89, 3.40 A)
 &rst
  ixpk= 1210, nxpk= 20, iat= 436,1821, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  113 CYS  HN          113 CYS  HA          5.50    (#   1211:20  Unique         2.73, 2.75 A)
 &rst
  ixpk= 1211, nxpk= 20, iat=1756,1758, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   93 ILE  QD1          10 PRO  HA          4.50    (#   1212:20  Unique         3.37, 4.82 A)
 &rst
  ixpk= 1212, nxpk= 20, iat=  -1, 163, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1444,1445,1446,
 &end
#
#    0 AMB  20-2:1213    10 PRO  HA          4.50    (#   1213:20  Single Ambig)
 &rst
  ixpk= 1213, nxpk= 20, iat=  -1, 163, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 135, 136, 124, 125,
 &end
#
#   11 GLY  HA+          10 PRO  HA          4.50    (#   1215:20  Unique         4.40, 4.46 A)
 &rst
  ixpk= 1215, nxpk= 20, iat=  -1, 163, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 169, 170,
 &end
#
#   12 ASP  HN           10 PRO  HA          4.50    (#   1216:20  Unique         3.23, 3.55 A)
 &rst
  ixpk= 1216, nxpk= 20, iat= 174, 163, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 ILE  QG2          89 CYS  HA          4.50    (#   1217:20  Unique         3.96, 4.83 A)
 &rst
  ixpk= 1217, nxpk= 20, iat=  -1,1370, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1418,1419,1420,
 &end
#
#   92 ILE  HG1-         89 CYS  HA          5.50    (#   1218:20  Unique         2.49, 4.35 A)
 &rst
  ixpk= 1218, nxpk= 20, iat=  -1,1370, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1422,1423,
 &end
#
#    5 ILE  HN            4 PRO  HA          3.50    (#   1221:20  Unique         3.29, 3.41 A)
 &rst
  ixpk= 1221, nxpk= 20, iat=  69,  65, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:1222    39 PRO  HA          5.50    (#   1222:20  Single Ambig)
 &rst
  ixpk= 1222, nxpk= 20, iat=  -1, 637, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 628, 629, 645, 646,
 &end
#
#   60 VAL  HB           60 VAL  HA          4.50    (#   1225:20  Unique         3.01, 3.02 A)
 &rst
  ixpk= 1225, nxpk= 20, iat= 902, 900, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 VAL  HN           60 VAL  HA          4.50    (#   1226:20  Unique         2.90, 2.94 A)
 &rst
  ixpk= 1226, nxpk= 20, iat= 898, 900, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1228     8 PRO  HA          5.50    (#   1228:20  Single Ambig)
 &rst
  ixpk= 1228, nxpk= 20, iat=  -1, 127, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 118, 119, 178, 179,
 &end
#
#   55 THR  MG2          55 THR  HA          3.50    (#   1229:20  Unique         2.23, 2.99 A)
 &rst
  ixpk= 1229, nxpk= 20, iat=  -1, 823, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 827, 828, 829,
 &end
#
#    0 AMB  20-2:1230    55 THR  HA          5.50    (#   1230:20  Single Ambig)
 &rst
  ixpk= 1230, nxpk= 20, iat=  -1, 823, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 806, 807, 809,
 &end
#
#   93 ILE  QD1          90 SER  HA          4.50    (#   1231:20  Unique         2.66, 4.36 A)
 &rst
  ixpk= 1231, nxpk= 20, iat=  -1,1381, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1444,1445,1446,
 &end
#
#   93 ILE  HG1+         90 SER  HA          4.50    (#   1232:20  Unique         2.98, 4.62 A)
 &rst
  ixpk= 1232, nxpk= 20, iat=  -1,1381, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1441,1442,
 &end
#
#  119 GLU  HG+         124 VAL  HA          5.50    (#   1233:20  Unique         2.00, 3.36 A)
 &rst
  ixpk= 1233, nxpk= 20, iat=  -1,1937, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1856,1857,
 &end
#
#   14 ILE  QG2          16 ILE  HA          4.50    (#   1234:20  Unique         4.15, 5.14 A)
 &rst
  ixpk= 1234, nxpk= 20, iat=  -1, 241, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 211, 212, 213,
 &end
#
#   78 ASN  HA           79 LYS  HA          5.50    (#   1235:20  Unique         4.32, 4.36 A)
 &rst
  ixpk= 1235, nxpk= 20, iat=1192,1206, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   80 HIS  HN           79 LYS  HA          5.50    (#   1236:20  Unique         2.15, 2.79 A)
 &rst
  ixpk= 1236, nxpk= 20, iat=1226,1206, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  114 GLU  HB+         111 GLU  HA          4.50    (#   1237:20  Unique         2.88, 3.72 A)
 &rst
  ixpk= 1237, nxpk= 20, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1771,1772,
 &end
#
#  115 HIS  HB+         111 GLU  HA          4.50    (#   1238:20  Unique         4.58, 5.38 A)
 &rst
  ixpk= 1238, nxpk= 20, iat=  -1,1729, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1786,1787,
 &end
#
#  125 ALA  MB          115 HIS  HA          5.50    (#   1241:20  Unique         2.05, 3.58 A)
 &rst
  ixpk= 1241, nxpk= 20, iat=  -1,1784, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1955,1956,1957,
 &end
#
#  116 PHE  HN          115 HIS  HA          4.50    (#   1242:20  Unique         3.51, 3.54 A)
 &rst
  ixpk= 1242, nxpk= 20, iat=1799,1784, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1243   114 GLU  HA          5.50    (#   1243:20  Single Ambig)
 &rst
  ixpk= 1243, nxpk= 20, iat=  -1,1769, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1782,1835,
 &end
#
#   93 ILE  QG2          94 GLN  HA          4.50    (#   1244:20  Unique         3.69, 4.71 A)
 &rst
  ixpk= 1244, nxpk= 20, iat=  -1,1452, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1437,1438,1439,
 &end
#
#   53 ALA  MB           52 SER  HA          5.50    (#   1246:20  Unique         3.81, 4.98 A)
 &rst
  ixpk= 1246, nxpk= 20, iat=  -1, 783, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 796, 797, 798,
 &end
#
#   41 GLU  HN           40 SER  HA          4.50    (#   1248:20  Unique         2.17, 2.73 A)
 &rst
  ixpk= 1248, nxpk= 20, iat= 652, 643, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  121 ARG  HG+         121 ARG  HA          4.50    (#   1249:20  Unique         2.14, 3.24 A)
 &rst
  ixpk= 1249, nxpk= 20, iat=  -1,1885, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1890,1891,
 &end
#
#    0 AMB  20-2:1250     5 ILE  HA          4.50    (#   1250:20  Single Ambig)
 &rst
  ixpk= 1250, nxpk= 20, iat=  -1,  71, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  73, 124, 125,
 &end
#
#    0 AMB  20-2:1252     0 AMB  20-1:1252   4.50    (#   1252:20  Double Ambig)
 &rst
  ixpk= 1252, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  69, 748,
 igr2=  71, 739,
 &end
#
#  120 LEU  MDX          95 ARG  HA          5.50    (#   1253:20  Unique         4.34, 6.59 A)
 &rst
  ixpk= 1253, nxpk= 20, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
#  100 VAL  HN           98 GLU  HA          5.50    (#   1254:20  Unique         3.97, 4.57 A)
 &rst
  ixpk= 1254, nxpk= 20, iat=1550,1518, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  109 THR  MG2         109 THR  HA          3.50    (#   1256:20  Unique         2.21, 2.96 A)
 &rst
  ixpk= 1256, nxpk= 20, iat=  -1,1704, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1708,1709,1710,
 &end
#
#  109 THR  HN          109 THR  HA          4.50    (#   1257:20  Unique         2.82, 2.92 A)
 &rst
  ixpk= 1257, nxpk= 20, iat=1702,1704, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 ILE  HN           91 LYS  HA          4.50    (#   1258:20  Unique         3.49, 3.55 A)
 &rst
  ixpk= 1258, nxpk= 20, iat=1412,1392, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   77 ASN  HN           14 ILE  HA          4.50    (#   1259:20  Unique         2.34, 3.02 A)
 &rst
  ixpk= 1259, nxpk= 20, iat=1176, 207, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1260    14 ILE  HA          4.50    (#   1260:20  Single Ambig)
 &rst
  ixpk= 1260, nxpk= 20, iat=  -1, 207, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1166,1167,1168,1170,1171,1172, 231, 232,
 &end
#
#   14 ILE  HN           14 ILE  HA          4.50    (#   1261:20  Unique         2.90, 2.94 A)
 &rst
  ixpk= 1261, nxpk= 20, iat= 205, 207, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 TYR  HD           33 VAL  HA          5.50    (#   1262:20  Unique         4.99, 5.66 A)
 &rst
  ixpk= 1262, nxpk= 20, iat=  -1, 537, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 459, 468,
 &end
#
#    0 AMB  20-2:1263    67 ASP  HA          4.50    (#   1263:20  Single Ambig)
 &rst
  ixpk= 1263, nxpk= 20, iat=  -1,1034, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1019,1028,1070,
 &end
#
#   83 LYS  HE-          83 LYS  HA          5.50    (#   1264:20  Unique         3.42, 5.10 A)
 &rst
  ixpk= 1264, nxpk= 20, iat=  -1,1269, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1280,1281,
 &end
#
#  105 LEU  MDY          57 LYS  HA          4.50    (#   1265:20  Unique         3.55, 5.57 A)
 &rst
  ixpk= 1265, nxpk= 20, iat=  -1, 849, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1630,1631,1632,1634,1635,1636,
 &end
#
#  100 VAL  HN           99 LEU  HA          4.50    (#   1266:20  Unique         3.33, 3.49 A)
 &rst
  ixpk= 1266, nxpk= 20, iat=1550,1533, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   98 GLU  HN           96 ALA  HA          4.50    (#   1267:20  Unique         3.78, 3.89 A)
 &rst
  ixpk= 1267, nxpk= 20, iat=1516,1493, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   64 LEU  MDY          64 LEU  HA          4.50    (#   1268:20  Unique         1.96, 3.81 A)
 &rst
  ixpk= 1268, nxpk= 20, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 982, 983, 984, 986, 987, 988,
 &end
#
#   17 PHE  HD           74 TYR  HA          4.50    (#   1269:20  Unique         2.56, 5.01 A)
 &rst
  ixpk= 1269, nxpk= 20, iat=  -1,1124, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 266, 274,
 &end
#
#   74 TYR  HN           74 TYR  HA          4.50    (#   1270:20  Unique         2.87, 2.92 A)
 &rst
  ixpk= 1270, nxpk= 20, iat=1122,1124, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  113 CYS  HB+          23 HIS  HA          4.50    (#   1271:20  Unique         3.80, 4.35 A)
 &rst
  ixpk= 1271, nxpk= 20, iat=  -1, 383, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1760,1761,
 &end
#
#   21 TYR  HE           23 HIS  HA          4.50    (#   1272:20  Unique         5.02, 7.73 A)
 &rst
  ixpk= 1272, nxpk= 20, iat=  -1, 383, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 346, 351,
 &end
#
#   24 TRP  HD1          23 HIS  HA          4.50    (#   1273:20  Unique         4.19, 4.56 A)
 &rst
  ixpk= 1273, nxpk= 20, iat= 406, 383, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1274    35 HIS  HA          3.50    (#   1274:20  Single Ambig)
 &rst
  ixpk= 1274, nxpk= 20, iat=  -1, 569, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1825,1826,1827,1829,1830,1831, 426, 427, 428,
 &end
#
#    0 AMB  20-2:1275    35 HIS  HA          4.50    (#   1275:20  Single Ambig)
 &rst
  ixpk= 1275, nxpk= 20, iat=  -1, 569, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 438, 439, 440, 588, 589,
 &end
#
#   35 HIS  HB+          35 HIS  HA          2.80    (#   1276:20  Unique         2.36, 2.45 A)
 &rst
  ixpk= 1276, nxpk= 20, iat=  -1, 569, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 571, 572,
 &end
#
#  116 PHE  HE           35 HIS  HA          3.50    (#   1278:20  Unique         1.96, 4.64 A)
 &rst
  ixpk= 1278, nxpk= 20, iat=  -1, 569, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1809,1813,
 &end
#
#   36 LEU  HN           35 HIS  HA          3.50    (#   1279:20  Unique         2.30, 2.44 A)
 &rst
  ixpk= 1279, nxpk= 20, iat= 584, 569, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 HIS  HN           35 HIS  HA          4.50    (#   1280:20  Unique         2.85, 2.90 A)
 &rst
  ixpk= 1280, nxpk= 20, iat= 567, 569, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   82 ASP  HN           80 HIS  HA          4.50    (#   1281:20  Unique         2.90, 2.93 A)
 &rst
  ixpk= 1281, nxpk= 20, iat=1255,1228, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 HIS  HB-          80 HIS  HA          3.50    (#   1282:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 1282, nxpk= 20, iat=  -1,1228, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1230,1231,
 &end
#
#   80 HIS  HB+          80 HIS  HA          3.50    (#   1283:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 1283, nxpk= 20, iat=  -1,1228, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1230,1231,
 &end
#
#   82 ASP  HB+          82 ASP  HA          2.80    (#   1284:20  Unique         2.41, 2.82 A)
 &rst
  ixpk= 1284, nxpk= 20, iat=  -1,1257, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1259,1260,
 &end
#
#   36 LEU  MDY          36 LEU  HA          4.50    (#   1286:20  Unique         1.94, 3.15 A)
 &rst
  ixpk= 1286, nxpk= 20, iat=  -1, 586, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 593, 594, 595, 597, 598, 599,
 &end
#
#   75 GLN  HB-          75 GLN  HA          2.80    (#   1287:20  Unique         2.31, 2.45 A)
 &rst
  ixpk= 1287, nxpk= 20, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1147,1148,
 &end
#
#   15 GLU  HG-          75 GLN  HA          4.50    (#   1288:20  Unique         1.99, 7.77 A)
 &rst
  ixpk= 1288, nxpk= 20, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 231, 232,
 &end
#
#   76 VAL  HN           75 GLN  HA          2.80    (#   1290:20  Unique         2.34, 2.43 A)
 &rst
  ixpk= 1290, nxpk= 20, iat=1160,1145, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   75 GLN  HN           75 GLN  HA          3.50    (#   1291:20  Unique         2.87, 2.88 A)
 &rst
  ixpk= 1291, nxpk= 20, iat=1143,1145, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  20-2:1292     0 AMB  20-1:1292   4.50    (#   1292:20  Double Ambig)
 &rst
  ixpk= 1292, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 710, 683,
 igr2= 702, 685,
 &end
#
#   13 LEU  MDX          78 ASN  HA          4.50    (#   1293:20  Unique         1.95, 4.93 A)
 &rst
  ixpk= 1293, nxpk= 20, iat=  -1,1192, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 195, 196, 197, 199, 200, 201,
 &end
#
#   78 ASN  HD2+         78 ASN  HA          5.50    (#   1294:20  Unique         2.20, 3.46 A)
 &rst
  ixpk= 1294, nxpk= 20, iat=  -1,1192, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1199,1200,
 &end
#
#   13 LEU  HN           78 ASN  HA          5.50    (#   1296:20  Unique         2.75, 3.48 A)
 &rst
  ixpk= 1296, nxpk= 20, iat= 186,1192, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  108 LEU  MDX          38 PRO  HD+         4.50    (#   1298:20  Unique         2.08, 4.52 A)
 &rst
  ixpk= 1298, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1692,1693,1694,1696,1697,1698,
 igr2= 614, 615,
 &end
#
#  108 LEU  MDX          38 PRO  HD-         4.50    (#   1299:20  Unique         2.08, 4.52 A)
 &rst
  ixpk= 1299, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1692,1693,1694,1696,1697,1698,
 igr2= 614, 615,
 &end
#
#    0 AMB  20-2:1300    19 PRO  HD-         4.50    (#   1300:20  Single Ambig)
 &rst
  ixpk= 1300, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 309, 310,1110,1111,
 igr2= 303, 304,
 &end
#
#   87 LEU  MDX          86 PRO  HD-         4.50    (#   1301:20  Unique         3.01, 6.53 A)
 &rst
  ixpk= 1301, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1344,1345,1346,1348,1349,1350,
 igr2=1322,1323,
 &end
#
#  102 GLN  HN          101 GLY  HA+         4.50    (#   1303:20  Unique         2.91, 3.27 A)
 &rst
  ixpk= 1303, nxpk= 20, iat=1573,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1568,1569,
 &end
#
#  102 GLN  HN          101 GLY  HA-         4.50    (#   1304:20  Unique         2.91, 3.27 A)
 &rst
  ixpk= 1304, nxpk= 20, iat=1573,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1568,1569,
 &end
#
#  100 VAL  MGY         101 GLY  HA+         5.50    (#   1305:20  Unique         3.12, 4.93 A)
 &rst
  ixpk= 1305, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1556,1557,1558,1560,1561,1562,
 igr2=1568,1569,
 &end
#
#    0 AMB  20-2:1306   101 GLY  HA-         4.50    (#   1306:20  Single Ambig)
 &rst
  ixpk= 1306, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 892, 893, 894, 904, 905, 906, 908, 909, 910,
 igr2=1568,1569,
 &end
#
#  100 VAL  MGY         101 GLY  HA-         4.50    (#   1307:20  Unique         3.12, 4.93 A)
 &rst
  ixpk= 1307, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1556,1557,1558,1560,1561,1562,
 igr2=1568,1569,
 &end
#
#  100 VAL  HA          101 GLY  HA-         5.50    (#   1308:20  Unique         4.42, 4.49 A)
 &rst
  ixpk= 1308, nxpk= 20, iat=1552,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1568,1569,
 &end
#
#   87 LEU  MDY         123 GLY  HA+         3.50    (#   1309:20  Unique         2.01, 4.73 A)
 &rst
  ixpk= 1309, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1344,1345,1346,1348,1349,1350,
 igr2=1930,1931,
 &end
#
#   87 LEU  MDX         123 GLY  HA+         4.50    (#   1310:20  Unique         2.01, 4.73 A)
 &rst
  ixpk= 1310, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1344,1345,1346,1348,1349,1350,
 igr2=1930,1931,
 &end
#
#    0 AMB  20-2:1311     0 AMB  20-1:1311   4.50    (#   1311:20  Double Ambig)
 &rst
  ixpk= 1311, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 687, 688, 689, 731, 732, 733,
 igr2= 695, 696, 712, 713,
 &end
#
#   64 LEU  MDX          31 GLY  HA-         4.50    (#   1313:20  Unique         1.99, 5.92 A)
 &rst
  ixpk= 1313, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 982, 983, 984, 986, 987, 988,
 igr2= 509, 510,
 &end
#
#   92 ILE  QD1          11 GLY  HA+         4.50    (#   1314:20  Unique         1.98, 3.85 A)
 &rst
  ixpk= 1314, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1425,1426,1427,
 igr2= 169, 170,
 &end
#
#   92 ILE  QD1          11 GLY  HA-         3.50    (#   1315:20  Unique         1.98, 3.85 A)
 &rst
  ixpk= 1315, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1425,1426,1427,
 igr2= 169, 170,
 &end
#
#   11 GLY  HN           11 GLY  HA-         3.50    (#   1316:20  Unique         2.29, 2.58 A)
 &rst
  ixpk= 1316, nxpk= 20, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 169, 170,
 &end
#
#   11 GLY  HN           11 GLY  HA+         3.50    (#   1317:20  Unique         2.29, 2.58 A)
 &rst
  ixpk= 1317, nxpk= 20, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 169, 170,
 &end
#
#   99 LEU  HA           99 LEU  HB+         4.50    (#   1318:20  Unique         2.38, 2.72 A)
 &rst
  ixpk= 1318, nxpk= 20, iat=1533,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1535,1536,
 &end
#
#   99 LEU  HA           99 LEU  HB-         4.50    (#   1319:20  Unique         2.38, 2.72 A)
 &rst
  ixpk= 1319, nxpk= 20, iat=1533,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1535,1536,
 &end
#
#   99 LEU  HN           99 LEU  HB+         4.50    (#   1320:20  Unique         2.46, 3.10 A)
 &rst
  ixpk= 1320, nxpk= 20, iat=1531,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1535,1536,
 &end
#
#   99 LEU  HN           99 LEU  HB-         3.50    (#   1321:20  Unique         2.46, 3.10 A)
 &rst
  ixpk= 1321, nxpk= 20, iat=1531,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1535,1536,
 &end
#
#   23 HIS  HA           22 ARG  HD+         4.50    (#   1322:20  Unique         3.28, 4.11 A)
 &rst
  ixpk= 1322, nxpk= 20, iat= 383,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 367, 368,
 &end
#
#   23 HIS  HA           22 ARG  HD-         3.50    (#   1325:20  Unique         3.28, 4.11 A)
 &rst
  ixpk= 1325, nxpk= 20, iat= 383,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 367, 368,
 &end
#
#   18 ARG  HB+          18 ARG  HD+         4.50    (#   1328:20  Unique         2.02, 2.89 A)
 &rst
  ixpk= 1328, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 282, 283,
 igr2= 288, 289,
 &end
#
#   18 ARG  HG-          18 ARG  HD-         4.50    (#   1330:20  Unique         2.22, 2.70 A)
 &rst
  ixpk= 1330, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 285, 286,
 igr2= 288, 289,
 &end
#
#   18 ARG  HB+          18 ARG  HD-         4.50    (#   1332:20  Unique         2.02, 2.89 A)
 &rst
  ixpk= 1332, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 282, 283,
 igr2= 288, 289,
 &end
#
#   87 LEU  MDY          95 ARG  HD+         5.50    (#   1333:20  Unique         2.70, 5.50 A)
 &rst
  ixpk= 1333, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1344,1345,1346,1348,1349,1350,
 igr2=1477,1478,
 &end
#
#   87 LEU  MDY          95 ARG  HD-         5.50    (#   1334:20  Unique         2.70, 5.50 A)
 &rst
  ixpk= 1334, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1344,1345,1346,1348,1349,1350,
 igr2=1477,1478,
 &end
#
#   95 ARG  HB+          95 ARG  HD+         4.50    (#   1335:20  Unique         2.00, 3.15 A)
 &rst
  ixpk= 1335, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1471,1472,
 igr2=1477,1478,
 &end
#
#   95 ARG  HB+          95 ARG  HD-         4.50    (#   1336:20  Unique         2.00, 3.15 A)
 &rst
  ixpk= 1336, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1471,1472,
 igr2=1477,1478,
 &end
#
#   95 ARG  HA           95 ARG  HD-         4.50    (#   1337:20  Unique         2.15, 3.32 A)
 &rst
  ixpk= 1337, nxpk= 20, iat=1469,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1477,1478,
 &end
#
#   36 LEU  MDX          36 LEU  HB-         4.50    (#   1340:20  Unique         2.03, 3.45 A)
 &rst
  ixpk= 1340, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 593, 594, 595, 597, 598, 599,
 igr2= 588, 589,
 &end
#
#   36 LEU  HA           36 LEU  HB-         4.50    (#   1341:20  Unique         2.67, 2.84 A)
 &rst
  ixpk= 1341, nxpk= 20, iat= 586,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 588, 589,
 &end
#
#   36 LEU  HN           36 LEU  HB+         4.50    (#   1342:20  Unique         2.10, 2.66 A)
 &rst
  ixpk= 1342, nxpk= 20, iat= 584,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 588, 589,
 &end
#
#  117 VAL  HA           26 ILE  HB          4.50    (#   1343:20  Unique         2.89, 3.40 A)
 &rst
  ixpk= 1343, nxpk= 20, iat=1821, 436, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   26 ILE  HN           26 ILE  HB          4.50    (#   1344:20  Unique         2.62, 3.02 A)
 &rst
  ixpk= 1344, nxpk= 20, iat= 432, 436, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   27 TYR  HN           26 ILE  HB          4.50    (#   1345:20  Unique         4.18, 4.25 A)
 &rst
  ixpk= 1345, nxpk= 20, iat= 451, 436, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   12 ASP  HN           12 ASP  HB-         3.50    (#   1346:20  Unique         2.33, 3.10 A)
 &rst
  ixpk= 1346, nxpk= 20, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 178, 179,
 &end
#
#   13 LEU  HN           12 ASP  HB-         5.50    (#   1347:20  Unique         2.06, 3.46 A)
 &rst
  ixpk= 1347, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 178, 179,
 &end
#
#   12 ASP  HA           12 ASP  HB-         4.50    (#   1348:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 1348, nxpk= 20, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 178, 179,
 &end
#
#   16 ILE  HA           74 TYR  HB+         3.50    (#   1350:20  Unique         1.89, 2.40 A)
 &rst
  ixpk= 1350, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1126,1127,
 &end
#
#   74 TYR  HA           74 TYR  HB+         3.50    (#   1351:20  Unique         2.32, 2.46 A)
 &rst
  ixpk= 1351, nxpk= 20, iat=1124,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1126,1127,
 &end
#
#   74 TYR  HD           74 TYR  HB+         3.50    (#   1352:20  Unique         2.34, 3.05 A)
 &rst
  ixpk= 1352, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1130,1139,
 igr2=1126,1127,
 &end
#
#   75 GLN  HN           74 TYR  HB+         4.50    (#   1354:20  Unique         2.07, 3.04 A)
 &rst
  ixpk= 1354, nxpk= 20, iat=1143,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1126,1127,
 &end
#
#  109 THR  MG2         107 LYS  HE+         4.50    (#   1355:20  Unique         2.09, 5.44 A)
 &rst
  ixpk= 1355, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1708,1709,1710,
 igr2=1674,1675,
 &end
#
#   90 SER  HB+          91 LYS  HE+         4.50    (#   1356:20  Unique         3.32, 5.33 A)
 &rst
  ixpk= 1356, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1383,1384,
 igr2=1403,1404,
 &end
#
#   91 LYS  HA           91 LYS  HE+         4.50    (#   1357:20  Unique         2.02, 3.33 A)
 &rst
  ixpk= 1357, nxpk= 20, iat=1392,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1403,1404,
 &end
#
#   37 ALA  MB           61 LYS  HE-         3.50    (#   1359:20  Unique         3.21, 4.79 A)
 &rst
  ixpk= 1359, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 607, 608, 609,
 igr2= 927, 928,
 &end
#
#   61 LYS  HG-          61 LYS  HE-         3.50    (#   1360:20  Unique         2.19, 3.22 A)
 &rst
  ixpk= 1360, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 921, 922,
 igr2= 927, 928,
 &end
#
#  120 LEU  MDY         120 LEU  HB-         3.50    (#   1361:20  Unique         2.26, 3.28 A)
 &rst
  ixpk= 1361, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2=1868,1869,
 &end
#
#  120 LEU  MDX         120 LEU  HB-         4.50    (#   1362:20  Unique         2.26, 3.28 A)
 &rst
  ixpk= 1362, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2=1868,1869,
 &end
#
#   26 ILE  QD1         120 LEU  HB-         4.50    (#   1363:20  Unique         1.97, 3.24 A)
 &rst
  ixpk= 1363, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 445, 446, 447,
 igr2=1868,1869,
 &end
#
#    0 AMB  20-2:1364   120 LEU  HB-         4.50    (#   1364:20  Single Ambig)
 &rst
  ixpk= 1364, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1871,1825,1826,1827,1829,1830,1831,1495,1496,1497,
      
 igr2=1868,1869,
 &end
#
#    0 AMB  20-2:1365   120 LEU  HB-         3.50    (#   1365:20  Single Ambig)
 &rst
  ixpk= 1365, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1866,1493,
 igr2=1868,1869,
 &end
#
#  120 LEU  HN          120 LEU  HB-         4.50    (#   1366:20  Unique         2.81, 3.25 A)
 &rst
  ixpk= 1366, nxpk= 20, iat=1864,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1868,1869,
 &end
#
#  121 ARG  HN          120 LEU  HB-         5.50    (#   1367:20  Unique         2.34, 3.26 A)
 &rst
  ixpk= 1367, nxpk= 20, iat=1883,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1868,1869,
 &end
#
#  120 LEU  MDY         120 LEU  HB+         3.50    (#   1369:20  Unique         2.26, 3.28 A)
 &rst
  ixpk= 1369, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2=1868,1869,
 &end
#
#  120 LEU  MDX         120 LEU  HB+         4.50    (#   1370:20  Unique         2.26, 3.28 A)
 &rst
  ixpk= 1370, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2=1868,1869,
 &end
#
#    0 AMB  20-2:1371     0 AMB  20-1:1371   3.50    (#   1371:20  Double Ambig)
 &rst
  ixpk= 1371, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 445, 446, 447,1418,1419,1420,
 igr2=1868,1869,1868,1869,
 &end
#
#    0 AMB  20-2:1372     0 AMB  20-1:1372   4.50    (#   1372:20  Double Ambig)
 &rst
  ixpk= 1372, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1871,1825,1826,1827,1829,1830,1831,1495,1496,1497,
      
 igr2=1868,1869,1868,1869,1868,1869,
 &end
#
#  120 LEU  HA          120 LEU  HB+         3.50    (#   1373:20  Unique         2.27, 2.62 A)
 &rst
  ixpk= 1373, nxpk= 20, iat=1866,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1868,1869,
 &end
#
#  120 LEU  HN          120 LEU  HB+         4.50    (#   1374:20  Unique         2.81, 3.25 A)
 &rst
  ixpk= 1374, nxpk= 20, iat=1864,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1868,1869,
 &end
#
#   16 ILE  QG2          74 TYR  HB+         3.50    (#   1375:20  Unique         1.98, 4.23 A)
 &rst
  ixpk= 1375, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 245, 246, 247,
 igr2=1126,1127,
 &end
#
#   72 ASP  HN           72 ASP  HB-         4.50    (#   1376:20  Unique         2.17, 3.21 A)
 &rst
  ixpk= 1376, nxpk= 20, iat=1088,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1092,1093,
 &end
#
#   73 LYS  HN           72 ASP  HB-         4.50    (#   1377:20  Unique         1.92, 2.91 A)
 &rst
  ixpk= 1377, nxpk= 20, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1092,1093,
 &end
#
#   32 TYR  HN           32 TYR  HB-         4.50    (#   1378:20  Unique         2.31, 3.05 A)
 &rst
  ixpk= 1378, nxpk= 20, iat= 514,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 518, 519,
 &end
#
#   32 TYR  HD           32 TYR  HB-         4.50    (#   1379:20  Unique         2.30, 3.07 A)
 &rst
  ixpk= 1379, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 522, 531,
 igr2= 518, 519,
 &end
#
#   28 VAL  MGY          32 TYR  HB+         4.50    (#   1380:20  Unique         2.16, 4.36 A)
 &rst
  ixpk= 1380, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 478, 479, 480, 482, 483, 484,
 igr2= 518, 519,
 &end
#
#   32 TYR  HA           32 TYR  HB+         4.50    (#   1381:20  Unique         2.27, 2.77 A)
 &rst
  ixpk= 1381, nxpk= 20, iat= 516,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 518, 519,
 &end
#
#   32 TYR  HD           32 TYR  HB+         3.50    (#   1382:20  Unique         2.30, 3.07 A)
 &rst
  ixpk= 1382, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 522, 531,
 igr2= 518, 519,
 &end
#
#   32 TYR  HN           32 TYR  HB+         4.50    (#   1383:20  Unique         2.31, 3.05 A)
 &rst
  ixpk= 1383, nxpk= 20, iat= 514,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 518, 519,
 &end
#
#   33 VAL  HN           32 TYR  HB+         4.50    (#   1384:20  Unique         1.80, 3.48 A)
 &rst
  ixpk= 1384, nxpk= 20, iat= 535,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 518, 519,
 &end
#
#   13 LEU  HG           13 LEU  HB+         3.50    (#   1385:20  Unique         2.25, 2.58 A)
 &rst
  ixpk= 1385, nxpk= 20, iat= 193,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 190, 191,
 &end
#
#   62 LYS  HG-          62 LYS  HE+         4.50    (#   1386:20  Unique         2.00, 3.10 A)
 &rst
  ixpk= 1386, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 943, 944,
 igr2= 949, 950,
 &end
#
#   62 LYS  HG+          62 LYS  HE+         5.50    (#   1387:20  Unique         2.00, 3.10 A)
 &rst
  ixpk= 1387, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 943, 944,
 igr2= 949, 950,
 &end
#
#   28 VAL  MGY          62 LYS  HE-         4.50    (#   1388:20  Unique         2.06, 4.80 A)
 &rst
  ixpk= 1388, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 478, 479, 480, 482, 483, 484,
 igr2= 949, 950,
 &end
#
#   62 LYS  HG-          62 LYS  HE-         4.50    (#   1389:20  Unique         2.00, 3.10 A)
 &rst
  ixpk= 1389, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 943, 944,
 igr2= 949, 950,
 &end
#
#   62 LYS  HG+          62 LYS  HE-         4.50    (#   1390:20  Unique         2.00, 3.10 A)
 &rst
  ixpk= 1390, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 943, 944,
 igr2= 949, 950,
 &end
#
#   32 TYR  HD           62 LYS  HE-         4.50    (#   1393:20  Unique         2.57, 4.33 A)
 &rst
  ixpk= 1393, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 522, 531,
 igr2= 949, 950,
 &end
#
#   39 PRO  HA           59 ILE  HB          4.50    (#   1394:20  Unique         2.86, 4.45 A)
 &rst
  ixpk= 1394, nxpk= 20, iat= 637, 883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   58 ALA  HA           59 ILE  HB          5.50    (#   1395:20  Unique         3.97, 5.46 A)
 &rst
  ixpk= 1395, nxpk= 20, iat= 871, 883, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   13 LEU  HA           13 LEU  HB-         4.50    (#   1396:20  Unique         2.45, 2.79 A)
 &rst
  ixpk= 1396, nxpk= 20, iat= 188,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 190, 191,
 &end
#
#   24 TRP  HZ3          13 LEU  HB-         4.50    (#   1397:20  Unique         1.98, 2.65 A)
 &rst
  ixpk= 1397, nxpk= 20, iat= 415,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 190, 191,
 &end
#
#   84 TYR  HD           84 TYR  HB-         4.50    (#   1398:20  Unique         2.31, 3.07 A)
 &rst
  ixpk= 1398, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1297,1306,
 igr2=1293,1294,
 &end
#
#   85 SER  HN           84 TYR  HB-         4.50    (#   1399:20  Unique         1.83, 2.85 A)
 &rst
  ixpk= 1399, nxpk= 20, iat=1310,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1293,1294,
 &end
#
#   83 LYS  HB+          83 LYS  HE+         3.50    (#   1400:20  Unique         2.14, 3.76 A)
 &rst
  ixpk= 1400, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1271,1272,
 igr2=1280,1281,
 &end
#
#   84 TYR  HA           84 TYR  HB+         4.50    (#   1403:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 1403, nxpk= 20, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1293,1294,
 &end
#
#   84 TYR  HD           84 TYR  HB+         3.50    (#   1404:20  Unique         2.31, 3.07 A)
 &rst
  ixpk= 1404, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1297,1306,
 igr2=1293,1294,
 &end
#
#   64 LEU  MDX          64 LEU  HB+         4.50    (#   1405:20  Unique         2.03, 3.28 A)
 &rst
  ixpk= 1405, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 982, 983, 984, 986, 987, 988,
 igr2= 977, 978,
 &end
#
#    0 AMB  20-2:1406     0 AMB  20-1:1406   5.50    (#   1406:20  Double Ambig)
 &rst
  ixpk= 1406, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1036,1037,1036,1037,
 igr2= 977, 978, 977, 978,
 &end
#
#   67 ASP  HN           64 LEU  HB+         4.50    (#   1407:20  Unique         2.55, 3.23 A)
 &rst
  ixpk= 1407, nxpk= 20, iat=1032,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 977, 978,
 &end
#
#   64 LEU  HN           64 LEU  HB+         4.50    (#   1408:20  Unique         2.04, 2.86 A)
 &rst
  ixpk= 1408, nxpk= 20, iat= 973,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 977, 978,
 &end
#
#   64 LEU  MDX          64 LEU  HB-         4.50    (#   1409:20  Unique         2.03, 3.28 A)
 &rst
  ixpk= 1409, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 982, 983, 984, 986, 987, 988,
 igr2= 977, 978,
 &end
#
#   87 LEU  MDY          87 LEU  HB-         4.50    (#   1410:20  Unique         2.27, 3.27 A)
 &rst
  ixpk= 1410, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1344,1345,1346,1348,1349,1350,
 igr2=1339,1340,
 &end
#
#    0 AMB  20-2:1411    87 LEU  HB-         4.50    (#   1411:20  Single Ambig)
 &rst
  ixpk= 1411, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1414,1322,1323,
 igr2=1339,1340,
 &end
#
#   87 LEU  HA           87 LEU  HB-         4.50    (#   1412:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 1412, nxpk= 20, iat=1337,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1339,1340,
 &end
#
#   65 LEU  HN           65 LEU  HB+         4.50    (#   1413:20  Unique         2.06, 2.59 A)
 &rst
  ixpk= 1413, nxpk= 20, iat= 992,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 996, 997,
 &end
#
#   65 LEU  MDY          65 LEU  HB-         3.50    (#   1414:20  Unique         2.05, 3.27 A)
 &rst
  ixpk= 1414, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1001,1002,1003,1005,1006,1007,
 igr2= 996, 997,
 &end
#
#    0 AMB  20-2:1415     0 AMB  20-1:1415   4.50    (#   1415:20  Double Ambig)
 &rst
  ixpk= 1415, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 994, 614, 615,
 igr2= 996, 997,1687,1688,
 &end
#
#  108 LEU  HN          108 LEU  HB-         4.50    (#   1416:20  Unique         2.10, 2.98 A)
 &rst
  ixpk= 1416, nxpk= 20, iat=1683,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1687,1688,
 &end
#
#   65 LEU  HN           65 LEU  HB-         4.50    (#   1417:20  Unique         2.06, 2.59 A)
 &rst
  ixpk= 1417, nxpk= 20, iat= 992,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 996, 997,
 &end
#
#   66 TYR  HN           65 LEU  HB-         4.50    (#   1418:20  Unique         2.49, 3.22 A)
 &rst
  ixpk= 1418, nxpk= 20, iat=1011,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 996, 997,
 &end
#
#   91 LYS  HB+          87 LEU  HB-         4.50    (#   1419:20  Unique         1.93, 2.96 A)
 &rst
  ixpk= 1419, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1394,1395,
 igr2=1339,1340,
 &end
#
#   64 LEU  HN           64 LEU  HB-         4.50    (#   1420:20  Unique         2.04, 2.86 A)
 &rst
  ixpk= 1420, nxpk= 20, iat= 973,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 977, 978,
 &end
#
#   65 LEU  MDX          65 LEU  HB-         4.50    (#   1421:20  Unique         2.05, 3.27 A)
 &rst
  ixpk= 1421, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1001,1002,1003,1005,1006,1007,
 igr2= 996, 997,
 &end
#
#  107 LYS  HN          106 TYR  HB-         4.50    (#   1422:20  Unique         2.08, 3.27 A)
 &rst
  ixpk= 1422, nxpk= 20, iat=1661,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1644,1645,
 &end
#
#    0 AMB  20-2:1423     0 AMB  20-1:1423   3.50    (#   1423:20  Double Ambig)
 &rst
  ixpk= 1423, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 507,1661,
 igr2= 499, 500,1644,1645,
 &end
#
#  106 TYR  HN          106 TYR  HB-         4.50    (#   1424:20  Unique         2.17, 3.32 A)
 &rst
  ixpk= 1424, nxpk= 20, iat=1640,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1644,1645,
 &end
#
#  122 TYR  HA          122 TYR  HB-         4.50    (#   1425:20  Unique         2.23, 2.71 A)
 &rst
  ixpk= 1425, nxpk= 20, iat=1909,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1911,1912,
 &end
#
#    0 AMB  20-2:1426     0 AMB  20-1:1426   3.50    (#   1426:20  Double Ambig)
 &rst
  ixpk= 1426, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1928,1243,
 igr2=1911,1912,1247,1248,
 &end
#
#    0 AMB  20-2:1427     0 AMB  20-1:1427   3.50    (#   1427:20  Double Ambig)
 &rst
  ixpk= 1427, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1751,1752,1640,
 igr2=1644,1645,1644,1645,
 &end
#
#  104 VAL  MGY         106 TYR  HB+         5.50    (#   1428:20  Unique         1.97, 6.15 A)
 &rst
  ixpk= 1428, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1611,1612,1613,1615,1616,1617,
 igr2=1644,1645,
 &end
#
#   36 LEU  HG          116 PHE  HB-         4.50    (#   1430:20  Unique         2.63, 3.37 A)
 &rst
  ixpk= 1430, nxpk= 20, iat= 591,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1803,1804,
 &end
#
#    0 AMB  20-2:1431     0 AMB  20-1:1431   4.50    (#   1431:20  Double Ambig)
 &rst
  ixpk= 1431, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.84, r4= 8.59,
 igr1= 478, 479, 480, 482, 483, 484, 591,
 igr2= 499, 500,1803,1804,
 &end
#
#  116 PHE  HA          116 PHE  HB-         3.50    (#   1432:20  Unique         2.24, 2.64 A)
 &rst
  ixpk= 1432, nxpk= 20, iat=1801,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1803,1804,
 &end
#
#  116 PHE  HN          116 PHE  HB-         4.50    (#   1433:20  Unique         2.08, 2.57 A)
 &rst
  ixpk= 1433, nxpk= 20, iat=1799,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1803,1804,
 &end
#
#  116 PHE  HN          116 PHE  HB+         4.50    (#   1434:20  Unique         2.08, 2.57 A)
 &rst
  ixpk= 1434, nxpk= 20, iat=1799,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1803,1804,
 &end
#
#  116 PHE  HD          116 PHE  HB+         4.50    (#   1435:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 1435, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1807,1815,
 igr2=1803,1804,
 &end
#
#   21 TYR  HD           21 TYR  HB+         4.50    (#   1436:20  Unique         2.30, 3.06 A)
 &rst
  ixpk= 1436, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 344, 353,
 igr2= 340, 341,
 &end
#
#  117 VAL  HN          116 PHE  HB+         4.50    (#   1437:20  Unique         2.36, 3.19 A)
 &rst
  ixpk= 1437, nxpk= 20, iat=1819,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1803,1804,
 &end
#
#    0 AMB  20-2:1438    63 GLU  HG-         5.50    (#   1438:20  Single Ambig)
 &rst
  ixpk= 1438, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
      1055,1056,
 igr2= 965, 966,
 &end
#
#    0 AMB  20-2:1439     0 AMB  20-1:1439   4.50    (#   1439:20  Double Ambig)
 &rst
  ixpk= 1439, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
      1055,1056,
 igr2= 965, 966, 965, 966,
 &end
#
#   63 GLU  HA           63 GLU  HG+         4.50    (#   1440:20  Unique         2.24, 2.74 A)
 &rst
  ixpk= 1440, nxpk= 20, iat= 960,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 965, 966,
 &end
#
#   14 ILE  QD1          27 TYR  HB+         4.50    (#   1441:20  Unique         1.90, 3.56 A)
 &rst
  ixpk= 1441, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 218, 219, 220,
 igr2= 455, 456,
 &end
#
#    0 AMB  20-2:1442     0 AMB  20-1:1442   4.50    (#   1442:20  Double Ambig)
 &rst
  ixpk= 1442, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 228, 229, 215, 216,
 igr2=1180,1181, 455, 456,
 &end
#
#   27 TYR  HN           27 TYR  HB+         4.50    (#   1444:20  Unique         2.25, 2.63 A)
 &rst
  ixpk= 1444, nxpk= 20, iat= 451,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 455, 456,
 &end
#
#   77 ASN  HD2-         77 ASN  HB-         4.50    (#   1445:20  Unique         2.12, 3.21 A)
 &rst
  ixpk= 1445, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1185,1186,
 igr2=1180,1181,
 &end
#
#   24 TRP  HH2          77 ASN  HB+         5.50    (#   1447:20  Unique         2.01, 4.35 A)
 &rst
  ixpk= 1447, nxpk= 20, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1180,1181,
 &end
#
#   77 ASN  HD2+         77 ASN  HB+         4.50    (#   1448:20  Unique         2.12, 3.21 A)
 &rst
  ixpk= 1448, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1185,1186,
 igr2=1180,1181,
 &end
#
#   77 ASN  HD2-         77 ASN  HB+         4.50    (#   1449:20  Unique         2.12, 3.21 A)
 &rst
  ixpk= 1449, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1185,1186,
 igr2=1180,1181,
 &end
#
#   14 ILE  QD1          27 TYR  HB-         4.50    (#   1450:20  Unique         1.90, 3.56 A)
 &rst
  ixpk= 1450, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 218, 219, 220,
 igr2= 455, 456,
 &end
#
#   33 VAL  MGX          27 TYR  HB-         4.50    (#   1451:20  Unique         3.12, 5.84 A)
 &rst
  ixpk= 1451, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 541, 542, 543, 545, 546, 547,
 igr2= 455, 456,
 &end
#
#  115 HIS  HA          118 ASN  HB+         4.50    (#   1452:20  Unique         2.37, 3.19 A)
 &rst
  ixpk= 1452, nxpk= 20, iat=1784,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1839,1840,
 &end
#
#  118 ASN  HA          118 ASN  HB+         4.50    (#   1453:20  Unique         2.56, 2.84 A)
 &rst
  ixpk= 1453, nxpk= 20, iat=1837,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1839,1840,
 &end
#
#   27 TYR  HA           27 TYR  HB-         4.50    (#   1454:20  Unique         2.57, 2.80 A)
 &rst
  ixpk= 1454, nxpk= 20, iat= 453,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 455, 456,
 &end
#
#   27 TYR  HD           27 TYR  HB-         3.50    (#   1455:20  Unique         2.30, 3.05 A)
 &rst
  ixpk= 1455, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 459, 468,
 igr2= 455, 456,
 &end
#
#  119 GLU  HN          118 ASN  HB+         4.50    (#   1456:20  Unique         2.73, 3.17 A)
 &rst
  ixpk= 1456, nxpk= 20, iat=1849,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1839,1840,
 &end
#
#  118 ASN  HN          118 ASN  HB+         4.50    (#   1457:20  Unique         2.08, 2.78 A)
 &rst
  ixpk= 1457, nxpk= 20, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1839,1840,
 &end
#
#   27 TYR  HN           27 TYR  HB-         3.50    (#   1458:20  Unique         2.25, 2.63 A)
 &rst
  ixpk= 1458, nxpk= 20, iat= 451,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 455, 456,
 &end
#
#    5 ILE  HG1+          5 ILE  HB          4.50    (#   1459:20  Unique         2.43, 2.77 A)
 &rst
  ixpk= 1459, nxpk= 20, iat=  -1,  73, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  79,  80,
 &end
#
#   14 ILE  HA           14 ILE  HB          4.50    (#   1460:20  Unique         3.01, 3.02 A)
 &rst
  ixpk= 1460, nxpk= 20, iat= 207, 209, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 ILE  HA           92 ILE  HB          4.50    (#   1461:20  Unique         3.00, 3.01 A)
 &rst
  ixpk= 1461, nxpk= 20, iat=1414,1416, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 ILE  HN           92 ILE  HB          3.50    (#   1462:20  Unique         2.33, 2.50 A)
 &rst
  ixpk= 1462, nxpk= 20, iat=1412,1416, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 ILE  HN           92 ILE  HB          3.50    (#   1463:20  Unique         2.09, 2.38 A)
 &rst
  ixpk= 1463, nxpk= 20, iat=1431,1416, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   25 ALA  HN           14 ILE  HB          4.50    (#   1464:20  Unique         2.95, 3.32 A)
 &rst
  ixpk= 1464, nxpk= 20, iat= 422, 209, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   64 LEU  HB-          66 TYR  HB-         5.50    (#   1465:20  Unique         2.47, 4.39 A)
 &rst
  ixpk= 1465, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 977, 978,
 igr2=1015,1016,
 &end
#
#   64 LEU  HB+          66 TYR  HB-         5.50    (#   1466:20  Unique         2.47, 4.39 A)
 &rst
  ixpk= 1466, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 977, 978,
 igr2=1015,1016,
 &end
#
#   64 LEU  HB-          66 TYR  HB+         4.50    (#   1468:20  Unique         2.47, 4.39 A)
 &rst
  ixpk= 1468, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 977, 978,
 igr2=1015,1016,
 &end
#
#   67 ASP  HN           66 TYR  HB-         4.50    (#   1469:20  Unique         2.34, 3.36 A)
 &rst
  ixpk= 1469, nxpk= 20, iat=1032,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1015,1016,
 &end
#
#   66 TYR  HD           66 TYR  HB-         3.50    (#   1470:20  Unique         2.30, 3.05 A)
 &rst
  ixpk= 1470, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1019,1028,
 igr2=1015,1016,
 &end
#
#   67 ASP  HN           66 TYR  HB+         3.50    (#   1471:20  Unique         2.34, 3.36 A)
 &rst
  ixpk= 1471, nxpk= 20, iat=1032,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1015,1016,
 &end
#
#   66 TYR  HD           66 TYR  HB+         3.50    (#   1472:20  Unique         2.30, 3.05 A)
 &rst
  ixpk= 1472, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1019,1028,
 igr2=1015,1016,
 &end
#
#  112 ASN  HA          112 ASN  HB+         4.50    (#   1473:20  Unique         2.49, 2.81 A)
 &rst
  ixpk= 1473, nxpk= 20, iat=1744,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1746,1747,
 &end
#
#  112 ASN  HA          112 ASN  HB-         4.50    (#   1474:20  Unique         2.49, 2.81 A)
 &rst
  ixpk= 1474, nxpk= 20, iat=1744,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1746,1747,
 &end
#
#  112 ASN  HD2-        112 ASN  HB-         4.50    (#   1476:20  Unique         2.12, 3.11 A)
 &rst
  ixpk= 1476, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1751,1752,
 igr2=1746,1747,
 &end
#
#  109 THR  HN          112 ASN  HB-         4.50    (#   1477:20  Unique         1.90, 2.60 A)
 &rst
  ixpk= 1477, nxpk= 20, iat=1702,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1746,1747,
 &end
#
#  112 ASN  HD2+        112 ASN  HB-         4.50    (#   1478:20  Unique         2.12, 3.11 A)
 &rst
  ixpk= 1478, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1751,1752,
 igr2=1746,1747,
 &end
#
#  112 ASN  HD2+        112 ASN  HB+         4.50    (#   1479:20  Unique         2.12, 3.11 A)
 &rst
  ixpk= 1479, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1751,1752,
 igr2=1746,1747,
 &end
#
#  112 ASN  HN          112 ASN  HB+         4.50    (#   1480:20  Unique         2.07, 2.87 A)
 &rst
  ixpk= 1480, nxpk= 20, iat=1742,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1746,1747,
 &end
#
#  109 THR  HN          112 ASN  HB+         4.50    (#   1481:20  Unique         1.90, 2.60 A)
 &rst
  ixpk= 1481, nxpk= 20, iat=1702,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1746,1747,
 &end
#
#  106 TYR  HD          112 ASN  HB+         5.50    (#   1482:20  Unique         2.22, 5.03 A)
 &rst
  ixpk= 1482, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1648,1657,
 igr2=1746,1747,
 &end
#
#   62 LYS  HN           61 LYS  HB-         4.50    (#   1483:20  Unique         2.59, 3.45 A)
 &rst
  ixpk= 1483, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 918, 919,
 &end
#
#   62 LYS  HN           61 LYS  HB+         4.50    (#   1484:20  Unique         2.59, 3.45 A)
 &rst
  ixpk= 1484, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 918, 919,
 &end
#
#   61 LYS  HN           61 LYS  HB+         4.50    (#   1485:20  Unique         2.49, 3.14 A)
 &rst
  ixpk= 1485, nxpk= 20, iat= 914,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 918, 919,
 &end
#
#   61 LYS  HA           61 LYS  HB-         3.50    (#   1486:20  Unique         2.38, 2.80 A)
 &rst
  ixpk= 1486, nxpk= 20, iat= 916,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 918, 919,
 &end
#
#   61 LYS  HA           61 LYS  HB+         4.50    (#   1487:20  Unique         2.38, 2.80 A)
 &rst
  ixpk= 1487, nxpk= 20, iat= 916,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 918, 919,
 &end
#
#    0 AMB  20-2:1488   119 GLU  HG-         3.50    (#   1488:20  Single Ambig)
 &rst
  ixpk= 1488, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1937,1930,1931,1953,
 igr2=1856,1857,
 &end
#
#   63 GLU  HN           63 GLU  HB-         5.50    (#   1489:20  Unique         2.85, 3.37 A)
 &rst
  ixpk= 1489, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 962, 963,
 &end
#
#   64 LEU  HN           63 GLU  HB-         3.50    (#   1490:20  Unique         2.23, 2.97 A)
 &rst
  ixpk= 1490, nxpk= 20, iat= 973,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 962, 963,
 &end
#
#   63 GLU  HA           63 GLU  HB+         4.50    (#   1491:20  Unique         2.51, 2.79 A)
 &rst
  ixpk= 1491, nxpk= 20, iat= 960,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 962, 963,
 &end
#
#   63 GLU  HN           63 GLU  HB+         4.50    (#   1492:20  Unique         2.85, 3.37 A)
 &rst
  ixpk= 1492, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 962, 963,
 &end
#
#   64 LEU  HN           63 GLU  HB+         4.50    (#   1493:20  Unique         2.23, 2.97 A)
 &rst
  ixpk= 1493, nxpk= 20, iat= 973,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 962, 963,
 &end
#
#   59 ILE  QD1         103 GLU  HG-         4.50    (#   1494:20  Unique         2.00, 4.89 A)
 &rst
  ixpk= 1494, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 892, 893, 894,
 igr2=1597,1598,
 &end
#
#  119 GLU  HA          119 GLU  HG+         4.50    (#   1495:20  Unique         2.04, 3.06 A)
 &rst
  ixpk= 1495, nxpk= 20, iat=1851,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1856,1857,
 &end
#
#  111 GLU  HA            0 AMB  20-1:1496   4.50    (#   1496:20  Single Ambig)
 &rst
  ixpk= 1496, nxpk= 20, iat=1729,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1734,1735,1734,1735,
 &end
#
#  103 GLU  HA          103 GLU  HG-         4.50    (#   1497:20  Unique         2.62, 2.97 A)
 &rst
  ixpk= 1497, nxpk= 20, iat=1592,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1597,1598,
 &end
#
#  103 GLU  HN          103 GLU  HG-         4.50    (#   1498:20  Unique         2.70, 3.55 A)
 &rst
  ixpk= 1498, nxpk= 20, iat=1590,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1597,1598,
 &end
#
#   59 ILE  QD1         103 GLU  HG+         4.50    (#   1499:20  Unique         2.00, 4.89 A)
 &rst
  ixpk= 1499, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 892, 893, 894,
 igr2=1597,1598,
 &end
#
#  103 GLU  HA          103 GLU  HG+         3.50    (#   1500:20  Unique         2.62, 2.97 A)
 &rst
  ixpk= 1500, nxpk= 20, iat=1592,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1597,1598,
 &end
#
#  119 GLU  HN          119 GLU  HG+         4.50    (#   1501:20  Unique         1.97, 2.92 A)
 &rst
  ixpk= 1501, nxpk= 20, iat=1849,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1856,1857,
 &end
#
#   98 GLU  HA           98 GLU  HG-         3.50    (#   1502:20  Unique         2.34, 2.97 A)
 &rst
  ixpk= 1502, nxpk= 20, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1523,1524,
 &end
#
#   98 GLU  HN           98 GLU  HG-         4.50    (#   1503:20  Unique         3.43, 4.10 A)
 &rst
  ixpk= 1503, nxpk= 20, iat=1516,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1523,1524,
 &end
#
#   98 GLU  HN            0 AMB  20-1:1504   3.50    (#   1504:20  Single Ambig)
 &rst
  ixpk= 1504, nxpk= 20, iat=1516,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1508,1509,1523,1524,
 &end
#
#   93 ILE  QG2          97 GLU  HG+         4.50    (#   1505:20  Unique         2.23, 4.77 A)
 &rst
  ixpk= 1505, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1437,1438,1439,
 igr2=1508,1509,
 &end
#
#   41 GLU  HA            0 AMB  20-1:1506   4.50    (#   1506:20  Single Ambig)
 &rst
  ixpk= 1506, nxpk= 20, iat= 654,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 659, 660, 659, 660,
 &end
#
#   15 GLU  HB-          15 GLU  HG-         4.50    (#   1507:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1507, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 228, 229,
 igr2= 231, 232,
 &end
#
#   15 GLU  HB-          15 GLU  HG+         4.50    (#   1508:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1508, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 228, 229,
 igr2= 231, 232,
 &end
#
#   74 TYR  HB+          15 GLU  HG-         5.50    (#   1509:20  Unique         4.26, 6.16 A)
 &rst
  ixpk= 1509, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1126,1127,
 igr2= 231, 232,
 &end
#
#   15 GLU  HA           15 GLU  HG-         4.50    (#   1510:20  Unique         2.19, 3.06 A)
 &rst
  ixpk= 1510, nxpk= 20, iat= 226,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 231, 232,
 &end
#
#   74 TYR  HB+          15 GLU  HG+         5.50    (#   1511:20  Unique         4.26, 6.16 A)
 &rst
  ixpk= 1511, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1126,1127,
 igr2= 231, 232,
 &end
#
#   62 LYS  HN           62 LYS  HB-         4.50    (#   1512:20  Unique         2.54, 2.95 A)
 &rst
  ixpk= 1512, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 940, 941,
 &end
#
#   62 LYS  HA           62 LYS  HB-         4.50    (#   1513:20  Unique         2.37, 2.71 A)
 &rst
  ixpk= 1513, nxpk= 20, iat= 938,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 940, 941,
 &end
#
#    7 GLU  HA            7 GLU  HG+         5.50    (#   1515:20  Unique         2.20, 3.39 A)
 &rst
  ixpk= 1515, nxpk= 20, iat= 104,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 109, 110,
 &end
#
#  114 GLU  HA          114 GLU  HG+         4.50    (#   1516:20  Unique         2.11, 2.81 A)
 &rst
  ixpk= 1516, nxpk= 20, iat=1769,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1774,1775,
 &end
#
#  118 ASN  HD2+        114 GLU  HG+         4.50    (#   1517:20  Unique         2.44, 3.85 A)
 &rst
  ixpk= 1517, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1844,1845,
 igr2=1774,1775,
 &end
#
#  114 GLU  HB-         114 GLU  HG-         4.50    (#   1518:20  Unique         2.21, 2.68 A)
 &rst
  ixpk= 1518, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1771,1772,
 igr2=1774,1775,
 &end
#
#  114 GLU  HA          114 GLU  HG-         3.50    (#   1519:20  Unique         2.11, 2.81 A)
 &rst
  ixpk= 1519, nxpk= 20, iat=1769,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1774,1775,
 &end
#
#  118 ASN  HD2+        114 GLU  HG-         4.50    (#   1520:20  Unique         2.44, 3.85 A)
 &rst
  ixpk= 1520, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1844,1845,
 igr2=1774,1775,
 &end
#
#   33 VAL  HA           33 VAL  HB          3.50    (#   1521:20  Unique         2.33, 2.46 A)
 &rst
  ixpk= 1521, nxpk= 20, iat= 537, 539, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 TYR  HA           33 VAL  HB          4.50    (#   1522:20  Unique         2.23, 3.21 A)
 &rst
  ixpk= 1522, nxpk= 20, iat= 453, 539, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1523    33 VAL  HB          4.50    (#   1523:20  Single Ambig)
 &rst
  ixpk= 1523, nxpk= 20, iat=  -1, 539, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 432, 535,
 &end
#
#    0 AMB  20-2:1524     0 AMB  20-1:1524   4.50    (#   1524:20  Double Ambig)
 &rst
  ixpk= 1524, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.82, r4=10.57,
 igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
      1055,1056, 541, 542, 543, 545, 546, 547,
 igr2= 571, 572, 571, 572, 571, 572,
 &end
#
#    0 AMB  20-2:1525     0 AMB  20-1:1525   5.50    (#   1525:20  Double Ambig)
 &rst
  ixpk= 1525, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 914, 535,
 igr2= 571, 572, 571, 572,
 &end
#
#   60 VAL  MGX         102 GLN  HG+         4.50    (#   1526:20  Unique         1.99, 5.90 A)
 &rst
  ixpk= 1526, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 904, 905, 906, 908, 909, 910,
 igr2=1580,1581,
 &end
#
#  102 GLN  HE2+        102 GLN  HG-         4.50    (#   1527:20  Unique         2.12, 3.22 A)
 &rst
  ixpk= 1527, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1585,1586,
 igr2=1580,1581,
 &end
#
#  102 GLN  HA          102 GLN  HG+         3.50    (#   1528:20  Unique         2.18, 3.27 A)
 &rst
  ixpk= 1528, nxpk= 20, iat=1575,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1580,1581,
 &end
#
#   60 VAL  MGX         102 GLN  HG-         4.50    (#   1529:20  Unique         1.99, 5.90 A)
 &rst
  ixpk= 1529, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 904, 905, 906, 908, 909, 910,
 igr2=1580,1581,
 &end
#
#   16 ILE  HB           23 HIS  HB-         4.50    (#   1530:20  Unique         1.99, 2.35 A)
 &rst
  ixpk= 1530, nxpk= 20, iat= 243,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 385, 386,
 &end
#
#   16 ILE  HB           23 HIS  HB+         4.50    (#   1531:20  Unique         1.99, 2.35 A)
 &rst
  ixpk= 1531, nxpk= 20, iat= 243,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 385, 386,
 &end
#
#   23 HIS  HA           23 HIS  HB-         4.50    (#   1532:20  Unique         2.56, 2.84 A)
 &rst
  ixpk= 1532, nxpk= 20, iat= 383,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 385, 386,
 &end
#
#   23 HIS  HA           23 HIS  HB+         4.50    (#   1533:20  Unique         2.56, 2.84 A)
 &rst
  ixpk= 1533, nxpk= 20, iat= 383,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 385, 386,
 &end
#
#   23 HIS  HN           23 HIS  HB+         5.50    (#   1534:20  Unique         2.46, 2.95 A)
 &rst
  ixpk= 1534, nxpk= 20, iat= 381,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 385, 386,
 &end
#
#   23 HIS  HN           23 HIS  HB-         5.50    (#   1535:20  Unique         2.46, 2.95 A)
 &rst
  ixpk= 1535, nxpk= 20, iat= 381,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 385, 386,
 &end
#
#   84 TYR  HN           83 LYS  HB+         4.50    (#   1536:20  Unique         2.88, 3.80 A)
 &rst
  ixpk= 1536, nxpk= 20, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1271,1272,
 &end
#
#   83 LYS  HE-          83 LYS  HB+         3.50    (#   1538:20  Unique         2.14, 3.76 A)
 &rst
  ixpk= 1538, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1280,1281,
 igr2=1271,1272,
 &end
#
#   80 HIS  HB-          83 LYS  HB+         4.50    (#   1539:20  Unique         2.36, 4.90 A)
 &rst
  ixpk= 1539, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1230,1231,
 igr2=1271,1272,
 &end
#
#  117 VAL  MGX          24 TRP  HB-         3.50    (#   1540:20  Unique         2.30, 4.51 A)
 &rst
  ixpk= 1540, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1825,1826,1827,1829,1830,1831,
 igr2= 402, 403,
 &end
#
#   24 TRP  HN           24 TRP  HB-         5.50    (#   1541:20  Unique         2.21, 2.88 A)
 &rst
  ixpk= 1541, nxpk= 20, iat= 398,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 402, 403,
 &end
#
#  107 LYS  HE+         107 LYS  HB+         4.50    (#   1543:20  Unique         2.01, 3.58 A)
 &rst
  ixpk= 1543, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1674,1675,
 igr2=1665,1666,
 &end
#
#   79 LYS  HG+          79 LYS  HB-         4.50    (#   1544:20  Unique         2.24, 2.59 A)
 &rst
  ixpk= 1544, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1211,1212,
 igr2=1208,1209,
 &end
#
#   79 LYS  HG-          79 LYS  HB-         4.50    (#   1545:20  Unique         2.24, 2.59 A)
 &rst
  ixpk= 1545, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1211,1212,
 igr2=1208,1209,
 &end
#
#   79 LYS  HN           79 LYS  HB-         3.50    (#   1546:20  Unique         2.07, 2.93 A)
 &rst
  ixpk= 1546, nxpk= 20, iat=1204,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1208,1209,
 &end
#
#    0 AMB  20-2:1550     0 AMB  20-1:1550   5.50    (#   1550:20  Double Ambig)
 &rst
  ixpk= 1550, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1= 839, 840, 839, 840,
 igr2=1665,1666,1665,1666,
 &end
#
#   56 ASP  HA          107 LYS  HB+         4.50    (#   1551:20  Unique         2.43, 3.94 A)
 &rst
  ixpk= 1551, nxpk= 20, iat= 837,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1665,1666,
 &end
#
#    0 AMB  20-2:1553     0 AMB  20-1:1553   4.50    (#   1553:20  Double Ambig)
 &rst
  ixpk= 1553, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1640,1751,1752,
 igr2=1609,1665,1666,
 &end
#
#   79 LYS  HE+          79 LYS  HB-         4.50    (#   1554:20  Unique         2.00, 3.89 A)
 &rst
  ixpk= 1554, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1217,1218,
 igr2=1208,1209,
 &end
#
#   79 LYS  HE+          79 LYS  HB+         5.50    (#   1555:20  Unique         2.00, 3.89 A)
 &rst
  ixpk= 1555, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1217,1218,
 igr2=1208,1209,
 &end
#
#   79 LYS  HA           79 LYS  HB+         3.50    (#   1556:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 1556, nxpk= 20, iat=1206,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1208,1209,
 &end
#
#   79 LYS  HG+          79 LYS  HB+         4.50    (#   1557:20  Unique         2.24, 2.59 A)
 &rst
  ixpk= 1557, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1211,1212,
 igr2=1208,1209,
 &end
#
#   79 LYS  HG-          79 LYS  HB+         4.50    (#   1558:20  Unique         2.24, 2.59 A)
 &rst
  ixpk= 1558, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1211,1212,
 igr2=1208,1209,
 &end
#
#   79 LYS  HN           79 LYS  HB+         3.50    (#   1559:20  Unique         2.07, 2.93 A)
 &rst
  ixpk= 1559, nxpk= 20, iat=1204,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1208,1209,
 &end
#
#    0 AMB  20-2:1560    94 GLN  HG-         4.50    (#   1560:20  Single Ambig)
 &rst
  ixpk= 1560, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1462,1463,1450,
 igr2=1457,1458,
 &end
#
#    0 AMB  20-2:1561     0 AMB  20-1:1561   4.50    (#   1561:20  Double Ambig)
 &rst
  ixpk= 1561, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1462,1463,1450,
 igr2=1457,1458,1457,1458,
 &end
#
#   91 LYS  HB+          94 GLN  HG-         4.50    (#   1562:20  Unique         4.07, 5.71 A)
 &rst
  ixpk= 1562, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1394,1395,
 igr2=1457,1458,
 &end
#
#  125 ALA  HN          124 VAL  HB          4.50    (#   1563:20  Unique         3.77, 4.23 A)
 &rst
  ixpk= 1563, nxpk= 20, iat=1951,1939, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   73 LYS  HG+          73 LYS  HB+         4.50    (#   1564:20  Unique         2.21, 2.68 A)
 &rst
  ixpk= 1564, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1107,1108,
 igr2=1104,1105,
 &end
#
#   74 TYR  HN           73 LYS  HB-         4.50    (#   1565:20  Unique         2.94, 4.11 A)
 &rst
  ixpk= 1565, nxpk= 20, iat=1122,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1104,1105,
 &end
#
#   74 TYR  HN           73 LYS  HB+         4.50    (#   1566:20  Unique         2.94, 4.11 A)
 &rst
  ixpk= 1566, nxpk= 20, iat=1122,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1104,1105,
 &end
#
#   17 PHE  HB+          73 LYS  HB+         4.50    (#   1567:20  Unique         2.16, 4.50 A)
 &rst
  ixpk= 1567, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 262, 263,
 igr2=1104,1105,
 &end
#
#   17 PHE  HB+          73 LYS  HB-         4.50    (#   1568:20  Unique         2.16, 4.50 A)
 &rst
  ixpk= 1568, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 262, 263,
 igr2=1104,1105,
 &end
#
#   43 ALA  MB           42 VAL  HB          5.50    (#   1569:20  Unique         3.18, 4.48 A)
 &rst
  ixpk= 1569, nxpk= 20, iat=  -1, 671, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 687, 688, 689,
 &end
#
#   42 VAL  HN           42 VAL  HB          4.50    (#   1570:20  Unique         2.64, 3.57 A)
 &rst
  ixpk= 1570, nxpk= 20, iat= 667, 671, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   65 LEU  MDX          68 VAL  HB          4.50    (#   1571:20  Unique         2.48, 4.94 A)
 &rst
  ixpk= 1571, nxpk= 20, iat=  -1,1048, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1001,1002,1003,1005,1006,1007,
 &end
#
#   68 VAL  HA           68 VAL  HB          4.50    (#   1572:20  Unique         3.02, 3.02 A)
 &rst
  ixpk= 1572, nxpk= 20, iat=1046,1048, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   65 LEU  HA           68 VAL  HB          3.50    (#   1573:20  Unique         1.92, 2.06 A)
 &rst
  ixpk= 1573, nxpk= 20, iat= 994,1048, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 ALA  HN           68 VAL  HB          3.50    (#   1574:20  Unique         2.01, 2.32 A)
 &rst
  ixpk= 1574, nxpk= 20, iat=1060,1048, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    4 PRO  HD-           6 PRO  HB+         5.50    (#   1575:20  Unique         4.48, 6.44 A)
 &rst
  ixpk= 1575, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  56,  57,
 igr2=  95,  96,
 &end
#
#    4 PRO  HD+           6 PRO  HB+         5.50    (#   1576:20  Unique         4.48, 6.44 A)
 &rst
  ixpk= 1576, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  56,  57,
 igr2=  95,  96,
 &end
#
#   87 LEU  HB-          91 LYS  HB+         4.50    (#   1577:20  Unique         1.93, 2.96 A)
 &rst
  ixpk= 1577, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1339,1340,
 igr2=1394,1395,
 &end
#
#   87 LEU  MDY          91 LYS  HB+         4.50    (#   1578:20  Unique         1.99, 4.09 A)
 &rst
  ixpk= 1578, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1344,1345,1346,1348,1349,1350,
 igr2=1394,1395,
 &end
#
#   92 ILE  HA           91 LYS  HB+         4.50    (#   1579:20  Unique         3.91, 4.32 A)
 &rst
  ixpk= 1579, nxpk= 20, iat=1414,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1394,1395,
 &end
#
#   92 ILE  HN           91 LYS  HB+         4.50    (#   1580:20  Unique         2.41, 2.95 A)
 &rst
  ixpk= 1580, nxpk= 20, iat=1412,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1394,1395,
 &end
#
#   59 ILE  QD1          39 PRO  HB-         4.50    (#   1582:20  Unique         4.13, 5.77 A)
 &rst
  ixpk= 1582, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 892, 893, 894,
 igr2= 634, 635,
 &end
#
#   39 PRO  HD-          39 PRO  HB-         5.50    (#   1583:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 1583, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 628, 629,
 igr2= 634, 635,
 &end
#
#    0 AMB  20-2:1584     0 AMB  20-1:1584   4.50    (#   1584:20  Double Ambig)
 &rst
  ixpk= 1584, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 628, 629,  56,  57, 645, 646,
 igr2= 634, 635,  62,  63,
 &end
#
#   87 LEU  HN           86 PRO  HB-         4.50    (#   1585:20  Unique         3.71, 4.11 A)
 &rst
  ixpk= 1585, nxpk= 20, iat=1335,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1328,1329,
 &end
#
#    0 AMB  20-2:1587     0 AMB  20-1:1587   3.50    (#   1587:20  Double Ambig)
 &rst
  ixpk= 1587, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1605,1310, 869,
 igr2=1594,1595,1328,1329,1594,1595,
 &end
#
#    4 PRO  HD-           6 PRO  HB-         5.50    (#   1588:20  Unique         4.48, 6.44 A)
 &rst
  ixpk= 1588, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=  56,  57,
 igr2=  95,  96,
 &end
#
#   76 VAL  MGX           9 LYS  HB+         5.50    (#   1589:20  Unique         3.08, 6.65 A)
 &rst
  ixpk= 1589, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1166,1167,1168,1170,1171,1172,
 igr2= 135, 136,
 &end
#
#   15 GLU  HG-          15 GLU  HB+         4.50    (#   1593:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1593, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 231, 232,
 igr2= 228, 229,
 &end
#
#   77 ASN  HB-          15 GLU  HB+         4.50    (#   1594:20  Unique         1.99, 4.06 A)
 &rst
  ixpk= 1594, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1180,1181,
 igr2= 228, 229,
 &end
#
#   15 GLU  HA           15 GLU  HB+         4.50    (#   1595:20  Unique         2.30, 2.72 A)
 &rst
  ixpk= 1595, nxpk= 20, iat= 226,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 228, 229,
 &end
#
#   15 GLU  HN           15 GLU  HB+         4.50    (#   1596:20  Unique         2.41, 2.89 A)
 &rst
  ixpk= 1596, nxpk= 20, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 228, 229,
 &end
#
#  100 VAL  HA          100 VAL  HB          4.50    (#   1597:20  Unique         2.44, 2.64 A)
 &rst
  ixpk= 1597, nxpk= 20, iat=1552,1554, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   76 VAL  HN           75 GLN  HB+         4.50    (#   1598:20  Unique         2.32, 3.03 A)
 &rst
  ixpk= 1598, nxpk= 20, iat=1160,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1147,1148,
 &end
#
#   76 VAL  HN           75 GLN  HB-         4.50    (#   1599:20  Unique         2.32, 3.03 A)
 &rst
  ixpk= 1599, nxpk= 20, iat=1160,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1147,1148,
 &end
#
#    8 PRO  HA            8 PRO  HB+         4.50    (#   1601:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1601, nxpk= 20, iat= 127,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 124, 125,
 &end
#
#   19 PRO  HA           19 PRO  HB+         4.50    (#   1603:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1603, nxpk= 20, iat= 312,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 309, 310,
 &end
#
#   15 GLU  HG-          15 GLU  HB-         4.50    (#   1604:20  Unique         2.22, 2.69 A)
 &rst
  ixpk= 1604, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 231, 232,
 igr2= 228, 229,
 &end
#
#   15 GLU  HA           15 GLU  HB-         5.50    (#   1605:20  Unique         2.30, 2.72 A)
 &rst
  ixpk= 1605, nxpk= 20, iat= 226,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 228, 229,
 &end
#
#  121 ARG  HN          121 ARG  HB+         4.50    (#   1606:20  Unique         2.07, 2.74 A)
 &rst
  ixpk= 1606, nxpk= 20, iat=1883,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1887,1888,
 &end
#
#   15 GLU  HN           15 GLU  HB-         4.50    (#   1607:20  Unique         2.41, 2.89 A)
 &rst
  ixpk= 1607, nxpk= 20, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 228, 229,
 &end
#
#    8 PRO  HG+           8 PRO  HB-         5.50    (#   1608:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 1608, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 121, 122,
 igr2= 124, 125,
 &end
#
#    0 AMB  20-2:1609     8 PRO  HB-         4.50    (#   1609:20  Single Ambig)
 &rst
  ixpk= 1609, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 118, 119, 178, 179,
 igr2= 124, 125,
 &end
#
#    8 PRO  HA            8 PRO  HB-         4.50    (#   1610:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 1610, nxpk= 20, iat= 127,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 124, 125,
 &end
#
#   60 VAL  HN           60 VAL  HB          3.50    (#   1612:20  Unique         2.47, 2.66 A)
 &rst
  ixpk= 1612, nxpk= 20, iat= 898, 902, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  102 GLN  HN           60 VAL  HB          4.50    (#   1613:20  Unique         2.49, 2.66 A)
 &rst
  ixpk= 1613, nxpk= 20, iat=1573, 902, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  101 GLY  HN           60 VAL  HB          4.50    (#   1614:20  Unique         2.25, 2.75 A)
 &rst
  ixpk= 1614, nxpk= 20, iat=1566, 902, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   39 PRO  HD+          38 PRO  HB-         5.50    (#   1615:20  Unique         2.08, 3.16 A)
 &rst
  ixpk= 1615, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 628, 629,
 igr2= 620, 621,
 &end
#
#   26 ILE  HB          117 VAL  HB          4.50    (#   1617:20  Unique         1.97, 2.73 A)
 &rst
  ixpk= 1617, nxpk= 20, iat= 436,1823, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  117 VAL  HN          117 VAL  HB          5.50    (#   1618:20  Unique         2.59, 3.51 A)
 &rst
  ixpk= 1618, nxpk= 20, iat=1819,1823, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  121 ARG  HN          121 ARG  HB-         4.50    (#   1619:20  Unique         2.07, 2.74 A)
 &rst
  ixpk= 1619, nxpk= 20, iat=1883,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1887,1888,
 &end
#
#   83 LYS  HB+          80 HIS  HB-         5.50    (#   1620:20  Unique         2.36, 4.90 A)
 &rst
  ixpk= 1620, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1271,1272,
 igr2=1230,1231,
 &end
#
#   80 HIS  HA           80 HIS  HB-         4.50    (#   1621:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 1621, nxpk= 20, iat=1228,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1230,1231,
 &end
#
#   99 LEU  MDY          95 ARG  HB+         5.50    (#   1624:20  Unique         1.99, 5.42 A)
 &rst
  ixpk= 1624, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1540,1541,1542,1544,1545,1546,
 igr2=1471,1472,
 &end
#
#    0 AMB  20-2:1625     0 AMB  20-1:1625   3.50    (#   1625:20  Double Ambig)
 &rst
  ixpk= 1625, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 102, 683,
 igr2= 106, 107, 656, 657,
 &end
#
#   99 LEU  HN           98 GLU  HB-         5.50    (#   1627:20  Unique         3.11, 3.54 A)
 &rst
  ixpk= 1627, nxpk= 20, iat=1531,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1520,1521,
 &end
#
#   99 LEU  HN           98 GLU  HB+         4.50    (#   1628:20  Unique         3.11, 3.54 A)
 &rst
  ixpk= 1628, nxpk= 20, iat=1531,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1520,1521,
 &end
#
#   24 TRP  HH2          79 LYS  HD+         4.50    (#   1629:20  Unique         1.99, 3.33 A)
 &rst
  ixpk= 1629, nxpk= 20, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1214,1215,
 &end
#
#   62 LYS  HE+          62 LYS  HD-         4.50    (#   1630:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 1630, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 949, 950,
 igr2= 946, 947,
 &end
#
#   62 LYS  HE+          62 LYS  HD+         5.50    (#   1631:20  Unique         2.22, 2.66 A)
 &rst
  ixpk= 1631, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 949, 950,
 igr2= 946, 947,
 &end
#
#   62 LYS  HG-          62 LYS  HD-         4.50    (#   1632:20  Unique         2.22, 2.68 A)
 &rst
  ixpk= 1632, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 943, 944,
 igr2= 946, 947,
 &end
#
#   62 LYS  HG-          62 LYS  HD+         4.50    (#   1633:20  Unique         2.22, 2.68 A)
 &rst
  ixpk= 1633, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 943, 944,
 igr2= 946, 947,
 &end
#
#  111 GLU  HN          111 GLU  HB+         4.50    (#   1638:20  Unique         2.10, 2.86 A)
 &rst
  ixpk= 1638, nxpk= 20, iat=1727,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1731,1732,
 &end
#
#  112 ASN  HN          111 GLU  HB-         5.50    (#   1639:20  Unique         2.69, 3.34 A)
 &rst
  ixpk= 1639, nxpk= 20, iat=1742,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1731,1732,
 &end
#
#  111 GLU  HN          111 GLU  HB-         4.50    (#   1640:20  Unique         2.10, 2.86 A)
 &rst
  ixpk= 1640, nxpk= 20, iat=1727,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1731,1732,
 &end
#
#  114 GLU  HG-         114 GLU  HB-         4.50    (#   1642:20  Unique         2.21, 2.68 A)
 &rst
  ixpk= 1642, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1774,1775,
 igr2=1771,1772,
 &end
#
#  109 THR  MG2         107 LYS  HD+         4.50    (#   1643:20  Unique         1.99, 5.30 A)
 &rst
  ixpk= 1643, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1708,1709,1710,
 igr2=1671,1672,
 &end
#
#  114 GLU  HN          114 GLU  HB-         4.50    (#   1644:20  Unique         2.14, 2.56 A)
 &rst
  ixpk= 1644, nxpk= 20, iat=1767,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1771,1772,
 &end
#
#  115 HIS  HN          114 GLU  HB-         5.50    (#   1645:20  Unique         2.55, 3.26 A)
 &rst
  ixpk= 1645, nxpk= 20, iat=1782,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1771,1772,
 &end
#
#    0 AMB  20-2:1646     0 AMB  20-1:1646   5.50    (#   1646:20  Double Ambig)
 &rst
  ixpk= 1646, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1661,1431,
 igr2=1671,1672, 442, 443,
 &end
#
#    0 AMB  20-2:1647     0 AMB  20-1:1647   4.50    (#   1647:20  Double Ambig)
 &rst
  ixpk= 1647, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1663,1685,
 igr2=1671,1672,1671,1672,
 &end
#
#   26 ILE  HA           26 ILE  HG1+        4.50    (#   1648:20  Unique         2.01, 2.85 A)
 &rst
  ixpk= 1648, nxpk= 20, iat= 434,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 442, 443,
 &end
#
#  120 LEU  HN          119 GLU  HB+         4.50    (#   1649:20  Unique         2.98, 3.66 A)
 &rst
  ixpk= 1649, nxpk= 20, iat=1864,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1853,1854,
 &end
#
#  125 ALA  HN          119 GLU  HB-         4.50    (#   1650:20  Unique         1.93, 4.04 A)
 &rst
  ixpk= 1650, nxpk= 20, iat=1951,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1853,1854,
 &end
#
#  120 LEU  HN          119 GLU  HB+         4.50    (#   1651:20  Unique         2.98, 3.66 A)
 &rst
  ixpk= 1651, nxpk= 20, iat=1864,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1853,1854,
 &end
#
#   27 TYR  HN           26 ILE  HG1+        4.50    (#   1652:20  Unique         2.17, 3.04 A)
 &rst
  ixpk= 1652, nxpk= 20, iat= 451,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 442, 443,
 &end
#
#   26 ILE  HB           26 ILE  HG1-        4.50    (#   1654:20  Unique         2.52, 2.84 A)
 &rst
  ixpk= 1654, nxpk= 20, iat= 436,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 442, 443,
 &end
#
#    0 AMB  20-2:1655    26 ILE  HG1-        5.50    (#   1655:20  Single Ambig)
 &rst
  ixpk= 1655, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 169, 170, 455, 456,
 igr2= 442, 443,
 &end
#
#   26 ILE  HA           26 ILE  HG1-        4.50    (#   1656:20  Unique         2.01, 2.85 A)
 &rst
  ixpk= 1656, nxpk= 20, iat= 434,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 442, 443,
 &end
#
#   27 TYR  HN           26 ILE  HG1-        4.50    (#   1657:20  Unique         2.17, 3.04 A)
 &rst
  ixpk= 1657, nxpk= 20, iat= 451,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 442, 443,
 &end
#
#   91 LYS  HA           91 LYS  HD+         4.50    (#   1663:20  Unique         2.01, 2.93 A)
 &rst
  ixpk= 1663, nxpk= 20, iat=1392,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1400,1401,
 &end
#
#   87 LEU  HG           86 PRO  HG+         4.50    (#   1664:20  Unique         2.39, 3.69 A)
 &rst
  ixpk= 1664, nxpk= 20, iat=1342,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1325,1326,
 &end
#
#   95 ARG  HN           94 GLN  HB-         4.50    (#   1665:20  Unique         2.19, 3.13 A)
 &rst
  ixpk= 1665, nxpk= 20, iat=1467,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1454,1455,
 &end
#
#   95 ARG  HN           94 GLN  HB+         4.50    (#   1666:20  Unique         2.19, 3.13 A)
 &rst
  ixpk= 1666, nxpk= 20, iat=1467,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1454,1455,
 &end
#
#   16 ILE  HN           16 ILE  HG1+        4.50    (#   1667:20  Unique         1.94, 3.09 A)
 &rst
  ixpk= 1667, nxpk= 20, iat= 239,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 249, 250,
 &end
#
#   93 ILE  HN           93 ILE  HG1+        3.50    (#   1668:20  Unique         1.91, 2.73 A)
 &rst
  ixpk= 1668, nxpk= 20, iat=1431,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1441,1442,
 &end
#
#  121 ARG  HB+         121 ARG  HG+         3.50    (#   1669:20  Unique         2.21, 2.66 A)
 &rst
  ixpk= 1669, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1887,1888,
 igr2=1890,1891,
 &end
#
#  121 ARG  HA          121 ARG  HG+         5.50    (#   1670:20  Unique         2.14, 3.24 A)
 &rst
  ixpk= 1670, nxpk= 20, iat=1885,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1890,1891,
 &end
#
#   30 ASP  HA           10 PRO  HG+         3.50    (#   1671:20  Unique         5.15, 7.92 A)
 &rst
  ixpk= 1671, nxpk= 20, iat= 497,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 157, 158,
 &end
#
#  122 TYR  HA           87 LEU  HG          4.50    (#   1672:20  Unique         2.71, 3.46 A)
 &rst
  ixpk= 1672, nxpk= 20, iat=1909,1342, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   87 LEU  HA           87 LEU  HG          4.50    (#   1673:20  Unique         2.40, 3.13 A)
 &rst
  ixpk= 1673, nxpk= 20, iat=1337,1342, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   93 ILE  HA           93 ILE  HG1-        4.50    (#   1674:20  Unique         2.64, 2.96 A)
 &rst
  ixpk= 1674, nxpk= 20, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1441,1442,
 &end
#
#   93 ILE  HN           93 ILE  HG1-        4.50    (#   1676:20  Unique         1.91, 2.73 A)
 &rst
  ixpk= 1676, nxpk= 20, iat=1431,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1441,1442,
 &end
#
#   87 LEU  HN           87 LEU  HG          3.50    (#   1677:20  Unique         1.92, 2.82 A)
 &rst
  ixpk= 1677, nxpk= 20, iat=1335,1342, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  108 LEU  MDX          38 PRO  HG+         4.50    (#   1678:20  Unique         3.56, 5.84 A)
 &rst
  ixpk= 1678, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1692,1693,1694,1696,1697,1698,
 igr2= 617, 618,
 &end
#
#    0 AMB  20-2:1681     0 AMB  20-1:1681   4.50    (#   1681:20  Double Ambig)
 &rst
  ixpk= 1681, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1692,1693,1694,1696,1697,1698, 885, 886, 887,
 igr2= 617, 618, 631, 632,
 &end
#
#    0 AMB  20-2:1682    39 PRO  HG-         4.50    (#   1682:20  Single Ambig)
 &rst
  ixpk= 1682, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 637, 643, 654,
 igr2= 631, 632,
 &end
#
#  120 LEU  MDX          95 ARG  HG+         5.50    (#   1685:20  Unique         1.99, 6.16 A)
 &rst
  ixpk= 1685, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2=1474,1475,
 &end
#
#  120 LEU  MDX          95 ARG  HG-         4.50    (#   1686:20  Unique         1.99, 6.16 A)
 &rst
  ixpk= 1686, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2=1474,1475,
 &end
#
#   95 ARG  HD+          95 ARG  HG+         4.50    (#   1687:20  Unique         2.22, 2.71 A)
 &rst
  ixpk= 1687, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1477,1478,
 igr2=1474,1475,
 &end
#
#   95 ARG  HA           95 ARG  HG+         4.50    (#   1689:20  Unique         2.19, 3.10 A)
 &rst
  ixpk= 1689, nxpk= 20, iat=1469,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1474,1475,
 &end
#
#   95 ARG  HD+          95 ARG  HG-         4.50    (#   1690:20  Unique         2.22, 2.71 A)
 &rst
  ixpk= 1690, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1477,1478,
 igr2=1474,1475,
 &end
#
#   95 ARG  HA           95 ARG  HG-         4.50    (#   1691:20  Unique         2.19, 3.10 A)
 &rst
  ixpk= 1691, nxpk= 20, iat=1469,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1474,1475,
 &end
#
#   92 ILE  HN           92 ILE  HG1+        3.50    (#   1692:20  Unique         1.88, 3.03 A)
 &rst
  ixpk= 1692, nxpk= 20, iat=1412,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1422,1423,
 &end
#
#   95 ARG  HN           95 ARG  HG+         5.50    (#   1693:20  Unique         1.95, 3.70 A)
 &rst
  ixpk= 1693, nxpk= 20, iat=1467,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1474,1475,
 &end
#
#   95 ARG  HD-          95 ARG  HG-         4.50    (#   1694:20  Unique         2.22, 2.71 A)
 &rst
  ixpk= 1694, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1477,1478,
 igr2=1474,1475,
 &end
#
#   39 PRO  HA           59 ILE  HG1-        4.50    (#   1695:20  Unique         2.91, 4.06 A)
 &rst
  ixpk= 1695, nxpk= 20, iat= 637,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 889, 890,
 &end
#
#   59 ILE  HA           59 ILE  HG1-        4.50    (#   1696:20  Unique         2.28, 3.58 A)
 &rst
  ixpk= 1696, nxpk= 20, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 889, 890,
 &end
#
#    8 PRO  HD+           8 PRO  HG-         4.50    (#   1697:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 1697, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 118, 119,
 igr2= 121, 122,
 &end
#
#    0 AMB  20-2:1698     0 AMB  20-1:1698   4.50    (#   1698:20  Double Ambig)
 &rst
  ixpk= 1698, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=  89,  90,  89,  90,
 igr2=  79,  80, 121, 122,
 &end
#
#   60 VAL  HN           59 ILE  HG1-        4.50    (#   1699:20  Unique         2.40, 3.61 A)
 &rst
  ixpk= 1699, nxpk= 20, iat= 898,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 889, 890,
 &end
#
#   59 ILE  HN           59 ILE  HG1-        5.50    (#   1700:20  Unique         2.55, 3.16 A)
 &rst
  ixpk= 1700, nxpk= 20, iat= 879,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 889, 890,
 &end
#
#   60 VAL  HN           59 ILE  HG1+        4.50    (#   1701:20  Unique         2.40, 3.61 A)
 &rst
  ixpk= 1701, nxpk= 20, iat= 898,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 889, 890,
 &end
#
#   59 ILE  HN           59 ILE  HG1+        4.50    (#   1702:20  Unique         2.55, 3.16 A)
 &rst
  ixpk= 1702, nxpk= 20, iat= 879,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 889, 890,
 &end
#
#  108 LEU  HN          108 LEU  HG          4.50    (#   1703:20  Unique         2.16, 3.85 A)
 &rst
  ixpk= 1703, nxpk= 20, iat=1683,1690, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 TYR  HE           64 LEU  HG          4.50    (#   1704:20  Unique         2.81, 6.25 A)
 &rst
  ixpk= 1704, nxpk= 20, iat=  -1, 980, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1021,1026,
 &end
#
#   64 LEU  HN           64 LEU  HG          4.50    (#   1705:20  Unique         2.12, 3.08 A)
 &rst
  ixpk= 1705, nxpk= 20, iat= 973, 980, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  113 CYS  HA          113 CYS  HB-         4.50    (#   1707:20  Unique         2.31, 2.73 A)
 &rst
  ixpk= 1707, nxpk= 20, iat=1758,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1760,1761,
 &end
#
#  113 CYS  HA          113 CYS  HB+         4.50    (#   1708:20  Unique         2.31, 2.73 A)
 &rst
  ixpk= 1708, nxpk= 20, iat=1758,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1760,1761,
 &end
#
#   24 TRP  HN          113 CYS  HB+         5.50    (#   1711:20  Unique         2.16, 2.80 A)
 &rst
  ixpk= 1711, nxpk= 20, iat= 398,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1760,1761,
 &end
#
#   24 TRP  HD1         113 CYS  HB-         5.50    (#   1712:20  Unique         3.25, 4.24 A)
 &rst
  ixpk= 1712, nxpk= 20, iat= 406,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1760,1761,
 &end
#
#  114 GLU  HN          113 CYS  HB-         4.50    (#   1713:20  Unique         2.11, 2.83 A)
 &rst
  ixpk= 1713, nxpk= 20, iat=1767,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1760,1761,
 &end
#
#  113 CYS  HN          113 CYS  HB-         4.50    (#   1714:20  Unique         2.22, 3.05 A)
 &rst
  ixpk= 1714, nxpk= 20, iat=1756,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1760,1761,
 &end
#
#    0 AMB  20-2:1715     0 AMB  20-1:1715   5.50    (#   1715:20  Double Ambig)
 &rst
  ixpk= 1715, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 584,1742,
 igr2=1760,1761,1760,1761,
 &end
#
#  113 CYS  HN          113 CYS  HB+         5.50    (#   1716:20  Unique         2.22, 3.05 A)
 &rst
  ixpk= 1716, nxpk= 20, iat=1756,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1760,1761,
 &end
#
#   99 LEU  HA           99 LEU  HG          4.50    (#   1717:20  Unique         2.81, 3.19 A)
 &rst
  ixpk= 1717, nxpk= 20, iat=1533,1538, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   99 LEU  HN           99 LEU  HG          4.50    (#   1718:20  Unique         2.46, 2.62 A)
 &rst
  ixpk= 1718, nxpk= 20, iat=1531,1538, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1719     0 AMB  20-1:1719   3.50    (#   1719:20  Double Ambig)
 &rst
  ixpk= 1719, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,
 igr1= 357,  45,1621,
 igr2= 364, 365,  28,  29,1628,
 &end
#
#    6 PRO  HD+           8 PRO  HG+         4.50    (#   1720:20  Unique         4.89, 6.20 A)
 &rst
  ixpk= 1720, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=  89,  90,
 igr2= 121, 122,
 &end
#
#  120 LEU  MDY          99 LEU  MDY         4.50    (#   1721:20  Unique         1.99, 5.40 A)
 &rst
  ixpk= 1721, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2=1540,1541,1542,1544,1545,1546,
 &end
#
#    0 AMB  20-2:1722    99 LEU  MDY         4.50    (#   1722:20  Single Ambig)
 &rst
  ixpk= 1722, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1807,1815,1531,
 igr2=1540,1541,1542,1544,1545,1546,
 &end
#
#   96 ALA  HA           99 LEU  MDY         4.50    (#   1723:20  Unique         1.99, 5.48 A)
 &rst
  ixpk= 1723, nxpk= 20, iat=1493,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1540,1541,1542,1544,1545,1546,
 &end
#
#   99 LEU  HA           99 LEU  MDY         4.50    (#   1724:20  Unique         1.99, 3.83 A)
 &rst
  ixpk= 1724, nxpk= 20, iat=1533,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1540,1541,1542,1544,1545,1546,
 &end
#
#   93 ILE  QD1          89 CYS  HB+         5.50    (#   1725:20  Unique         2.12, 4.48 A)
 &rst
  ixpk= 1725, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1444,1445,1446,
 igr2=1372,1373,
 &end
#
#   92 ILE  QD1          89 CYS  HB+         4.50    (#   1726:20  Unique         3.83, 5.49 A)
 &rst
  ixpk= 1726, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1425,1426,1427,
 igr2=1372,1373,
 &end
#
#   36 LEU  HN           36 LEU  MDY         4.50    (#   1729:20  Unique         2.85, 4.80 A)
 &rst
  ixpk= 1729, nxpk= 20, iat= 584,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 593, 594, 595, 597, 598, 599,
 &end
#
#   65 LEU  HA           65 LEU  HG          4.50    (#   1730:20  Unique         2.27, 2.45 A)
 &rst
  ixpk= 1730, nxpk= 20, iat= 994, 999, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 TYR  HE           65 LEU  HG          5.50    (#   1731:20  Unique         5.07, 6.79 A)
 &rst
  ixpk= 1731, nxpk= 20, iat=  -1, 999, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1132,1137,
 &end
#
#   65 LEU  HN           65 LEU  HG          5.50    (#   1732:20  Unique         3.76, 3.90 A)
 &rst
  ixpk= 1732, nxpk= 20, iat= 992, 999, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  120 LEU  HN          120 LEU  MDY         4.50    (#   1733:20  Unique         2.61, 4.01 A)
 &rst
  ixpk= 1733, nxpk= 20, iat=1864,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
#  116 PHE  HE          120 LEU  MDY         4.50    (#   1734:20  Unique         2.13, 4.52 A)
 &rst
  ixpk= 1734, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1809,1813,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
#  116 PHE  HD          120 LEU  MDY         5.50    (#   1735:20  Unique         2.73, 5.44 A)
 &rst
  ixpk= 1735, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1807,1815,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
#    0 AMB  20-2:1736   120 LEU  HG          4.50    (#   1736:20  Single Ambig)
 &rst
  ixpk= 1736, nxpk= 20, iat=  -1,1871, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1866,1493,
 &end
#
#  120 LEU  HN          120 LEU  HG          4.50    (#   1737:20  Unique         1.90, 2.01 A)
 &rst
  ixpk= 1737, nxpk= 20, iat=1864,1871, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  121 ARG  HD+          13 LEU  HG          5.50    (#   1739:20  Unique         1.96, 3.59 A)
 &rst
  ixpk= 1739, nxpk= 20, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1893,1894,
 &end
#
#    0 AMB  20-2:1740     0 AMB  20-1:1740   3.50    (#   1740:20  Double Ambig)
 &rst
  ixpk= 1740, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 916, 188,
 igr2= 921, 922, 193,
 &end
#
#   78 ASN  HA           13 LEU  HG          4.50    (#   1741:20  Unique         2.92, 3.45 A)
 &rst
  ixpk= 1741, nxpk= 20, iat=1192, 193, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  118 ASN  HD2+         13 LEU  HG          4.50    (#   1742:20  Unique         4.45, 5.05 A)
 &rst
  ixpk= 1742, nxpk= 20, iat=  -1, 193, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1844,1845,
 &end
#
#  121 ARG  HN           13 LEU  HG          5.50    (#   1744:20  Unique         4.84, 5.51 A)
 &rst
  ixpk= 1744, nxpk= 20, iat=1883, 193, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   79 LYS  HN           13 LEU  HG          4.50    (#   1745:20  Unique         2.86, 3.52 A)
 &rst
  ixpk= 1745, nxpk= 20, iat=1204, 193, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 LEU  HG           13 LEU  MDX         3.50    (#   1746:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1746, nxpk= 20, iat= 193,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 195, 196, 197, 199, 200, 201,
 &end
#
#    0 AMB  20-2:1747    13 LEU  MDX         5.50    (#   1747:20  Single Ambig)
 &rst
  ixpk= 1747, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1= 190, 191,1208,1209,1214,1215,
 igr2= 195, 196, 197, 199, 200, 201,
 &end
#
#  121 ARG  HD+          13 LEU  MDX         4.50    (#   1748:20  Unique         2.00, 4.94 A)
 &rst
  ixpk= 1748, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1893,1894,
 igr2= 195, 196, 197, 199, 200, 201,
 &end
#
#    0 AMB  20-2:1749    87 LEU  MDY         4.50    (#   1749:20  Single Ambig)
 &rst
  ixpk= 1749, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1928,1412,
 igr2=1344,1345,1346,1348,1349,1350,
 &end
#
#   87 LEU  HN           87 LEU  MDY         4.50    (#   1750:20  Unique         2.21, 4.63 A)
 &rst
  ixpk= 1750, nxpk= 20, iat=1335,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1344,1345,1346,1348,1349,1350,
 &end
#
#   61 LYS  HA           61 LYS  HG+         4.50    (#   1751:20  Unique         2.24, 2.75 A)
 &rst
  ixpk= 1751, nxpk= 20, iat= 916,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 921, 922,
 &end
#
#   64 LEU  HA           64 LEU  MDY         4.50    (#   1753:20  Unique         1.96, 3.81 A)
 &rst
  ixpk= 1753, nxpk= 20, iat= 975,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 982, 983, 984, 986, 987, 988,
 &end
#
#   32 TYR  HD           64 LEU  MDY         4.50    (#   1754:20  Unique         1.88, 6.05 A)
 &rst
  ixpk= 1754, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 522, 531,
 igr2= 982, 983, 984, 986, 987, 988,
 &end
#
#   64 LEU  HN           64 LEU  MDY         4.50    (#   1755:20  Unique         1.90, 4.47 A)
 &rst
  ixpk= 1755, nxpk= 20, iat= 973,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 982, 983, 984, 986, 987, 988,
 &end
#
#   87 LEU  HA           87 LEU  MDY         4.50    (#   1756:20  Unique         1.96, 3.86 A)
 &rst
  ixpk= 1756, nxpk= 20, iat=1337,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1344,1345,1346,1348,1349,1350,
 &end
#
#    0 AMB  20-2:1757    65 LEU  MDY         5.50    (#   1757:20  Single Ambig)
 &rst
  ixpk= 1757, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1= 249, 250, 121, 122,
 igr2=1001,1002,1003,1005,1006,1007,
 &end
#
#   87 LEU  MDY          91 LYS  HG+         4.50    (#   1758:20  Unique         2.01, 4.96 A)
 &rst
  ixpk= 1758, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1344,1345,1346,1348,1349,1350,
 igr2=1397,1398,
 &end
#
#   91 LYS  HE+          91 LYS  HG+         4.50    (#   1759:20  Unique         2.00, 3.03 A)
 &rst
  ixpk= 1759, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1403,1404,
 igr2=1397,1398,
 &end
#
#    0 AMB  20-2:1760     0 AMB  20-1:1760   4.50    (#   1760:20  Double Ambig)
 &rst
  ixpk= 1760, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1403,1404,1674,1675,
 igr2=1397,1398,1668,1669,
 &end
#
#    0 AMB  20-2:1761     0 AMB  20-1:1761   4.50    (#   1761:20  Double Ambig)
 &rst
  ixpk= 1761, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1663,1392,
 igr2=1668,1669,1397,1398,
 &end
#
#    0 AMB  20-2:1762     0 AMB  20-1:1762   4.50    (#   1762:20  Double Ambig)
 &rst
  ixpk= 1762, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1663,1392,
 igr2=1668,1669,1397,1398,
 &end
#
#   91 LYS  HN           91 LYS  HG+         5.50    (#   1763:20  Unique         2.40, 3.24 A)
 &rst
  ixpk= 1763, nxpk= 20, iat=1390,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1397,1398,
 &end
#
#    0 AMB  20-2:1764     0 AMB  20-1:1764   4.50    (#   1764:20  Double Ambig)
 &rst
  ixpk= 1764, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.02, r4= 8.77,
 igr1=1113,1114, 839, 840, 839, 840,1092,1093,
 igr2=1107,1108,1668,1669,
 &end
#
#    0 AMB  20-2:1765     0 AMB  20-1:1765   4.50    (#   1765:20  Double Ambig)
 &rst
  ixpk= 1765, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 262, 263,1674,1675,
 igr2=1107,1108,1668,1669,
 &end
#
#  107 LYS  HA          107 LYS  HG-         4.50    (#   1766:20  Unique         2.04, 2.78 A)
 &rst
  ixpk= 1766, nxpk= 20, iat=1663,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1668,1669,
 &end
#
#    0 AMB  20-2:1767     0 AMB  20-1:1767   4.50    (#   1767:20  Double Ambig)
 &rst
  ixpk= 1767, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1100,1751,1752,1683,
 igr2=1107,1108,1668,1669,
 &end
#
#   73 LYS  HA           73 LYS  HG+         5.50    (#   1768:20  Unique         2.06, 3.24 A)
 &rst
  ixpk= 1768, nxpk= 20, iat=1102,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1107,1108,
 &end
#
#   99 LEU  HN          100 VAL  MGX         5.50    (#   1770:20  Unique         3.34, 5.65 A)
 &rst
  ixpk= 1770, nxpk= 20, iat=1531,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#  101 GLY  HN          100 VAL  MGX         4.50    (#   1771:20  Unique         1.92, 3.70 A)
 &rst
  ixpk= 1771, nxpk= 20, iat=1566,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#  105 LEU  HA          105 LEU  MDX         4.50    (#   1772:20  Unique         2.00, 3.17 A)
 &rst
  ixpk= 1772, nxpk= 20, iat=1623,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1630,1631,1632,1634,1635,1636,
 &end
#
#  105 LEU  HN          105 LEU  MDX         4.50    (#   1773:20  Unique         2.58, 4.69 A)
 &rst
  ixpk= 1773, nxpk= 20, iat=1621,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1630,1631,1632,1634,1635,1636,
 &end
#
#  109 THR  HN          108 LEU  MDX         4.50    (#   1774:20  Unique         3.58, 5.61 A)
 &rst
  ixpk= 1774, nxpk= 20, iat=1702,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#  107 LYS  HN          108 LEU  MDX         5.50    (#   1775:20  Unique         4.92, 7.84 A)
 &rst
  ixpk= 1775, nxpk= 20, iat=1661,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#   23 HIS  HE1         108 LEU  MDX         4.50    (#   1776:20  Unique         2.57, 5.05 A)
 &rst
  ixpk= 1776, nxpk= 20, iat= 391,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#  108 LEU  HN          108 LEU  MDX         4.50    (#   1777:20  Unique         1.93, 4.67 A)
 &rst
  ixpk= 1777, nxpk= 20, iat=1683,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#   57 LYS  HB-           0 AMB  20-1:1780   4.50    (#   1780:20  Single Ambig)
 &rst
  ixpk= 1780, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 851, 852,
 igr2= 854, 855, 854, 855,
 &end
#
#    9 LYS  HN            9 LYS  HG+         4.50    (#   1783:20  Unique         2.26, 3.73 A)
 &rst
  ixpk= 1783, nxpk= 20, iat= 131,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 138, 139,
 &end
#
#    9 LYS  HE+           9 LYS  HG+         4.50    (#   1784:20  Unique         2.07, 3.06 A)
 &rst
  ixpk= 1784, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 144, 145,
 igr2= 138, 139,
 &end
#
#   79 LYS  HB+          79 LYS  HG-         4.50    (#   1785:20  Unique         2.24, 2.59 A)
 &rst
  ixpk= 1785, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1208,1209,
 igr2=1211,1212,
 &end
#
#   79 LYS  HA           79 LYS  HG-         4.50    (#   1786:20  Unique         2.41, 3.28 A)
 &rst
  ixpk= 1786, nxpk= 20, iat=1206,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1211,1212,
 &end
#
#   28 VAL  HN           33 VAL  MGX         4.50    (#   1787:20  Unique         2.44, 4.81 A)
 &rst
  ixpk= 1787, nxpk= 20, iat= 472,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#   34 VAL  HN           33 VAL  MGX         4.50    (#   1788:20  Unique         2.94, 4.67 A)
 &rst
  ixpk= 1788, nxpk= 20, iat= 551,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#    0 AMB  20-2:1789     0 AMB  20-1:1789   3.50    (#   1789:20  Double Ambig)
 &rst
  ixpk= 1789, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 567, 205,
 igr2= 557, 558, 559, 561, 562, 563, 195, 196, 197, 199,
       200, 201,
 &end
#
#   79 LYS  HA           79 LYS  HG+         5.50    (#   1790:20  Unique         2.41, 3.28 A)
 &rst
  ixpk= 1790, nxpk= 20, iat=1206,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1211,1212,
 &end
#
#   36 LEU  HB+          36 LEU  MDX         4.50    (#   1791:20  Unique         2.03, 3.45 A)
 &rst
  ixpk= 1791, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 588, 589,
 igr2= 593, 594, 595, 597, 598, 599,
 &end
#
#    0 AMB  20-2:1792    36 LEU  MDX         4.50    (#   1792:20  Single Ambig)
 &rst
  ixpk= 1792, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1751,1752,1809,1813,
 igr2= 593, 594, 595, 597, 598, 599,
 &end
#
#   36 LEU  HN           36 LEU  MDX         5.50    (#   1793:20  Unique         2.85, 4.80 A)
 &rst
  ixpk= 1793, nxpk= 20, iat= 584,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 593, 594, 595, 597, 598, 599,
 &end
#
#    0 AMB  20-2:1794    36 LEU  MDX         4.50    (#   1794:20  Single Ambig)
 &rst
  ixpk= 1794, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 603,1683,
 igr2= 593, 594, 595, 597, 598, 599,
 &end
#
#   25 ALA  HN           25 ALA  MB          4.50    (#   1795:20  Unique         2.69, 3.40 A)
 &rst
  ixpk= 1795, nxpk= 20, iat= 422,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 426, 427, 428,
 &end
#
#   83 LYS  HN           83 LYS  HG-         4.50    (#   1796:20  Unique         1.88, 2.85 A)
 &rst
  ixpk= 1796, nxpk= 20, iat=1267,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1274,1275,
 &end
#
#   87 LEU  HN           87 LEU  MDX         4.50    (#   1797:20  Unique         2.21, 4.63 A)
 &rst
  ixpk= 1797, nxpk= 20, iat=1335,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1344,1345,1346,1348,1349,1350,
 &end
#
#   57 LYS  HE+         105 LEU  MDY         4.50    (#   1798:20  Unique         2.08, 5.41 A)
 &rst
  ixpk= 1798, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 860, 861,
 igr2=1630,1631,1632,1634,1635,1636,
 &end
#
#    0 AMB  20-2:1799   120 LEU  MDX         4.50    (#   1799:20  Single Ambig)
 &rst
  ixpk= 1799, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1491,1835,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
#   63 GLU  HG-          68 VAL  MGX         5.50    (#   1800:20  Unique         3.92, 6.50 A)
 &rst
  ixpk= 1800, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 965, 966,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#    0 AMB  20-2:1801    68 VAL  MGX         4.50    (#   1801:20  Single Ambig)
 &rst
  ixpk= 1801, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1036,1037,1036,1037,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#   68 VAL  HA           68 VAL  MGX         3.50    (#   1802:20  Unique         2.27, 3.11 A)
 &rst
  ixpk= 1802, nxpk= 20, iat=1046,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#   63 GLU  HN           34 VAL  MGY         4.50    (#   1804:20  Unique         4.50, 6.02 A)
 &rst
  ixpk= 1804, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 557, 558, 559, 561, 562, 563,
 &end
#
#   13 LEU  HN           13 LEU  MDY         4.50    (#   1805:20  Unique         1.93, 4.31 A)
 &rst
  ixpk= 1805, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 195, 196, 197, 199, 200, 201,
 &end
#
#  116 PHE  HE           34 VAL  MGY         4.50    (#   1806:20  Unique         1.98, 5.29 A)
 &rst
  ixpk= 1806, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1809,1813,
 igr2= 557, 558, 559, 561, 562, 563,
 &end
#
#   35 HIS  HE1          68 VAL  MGX         4.50    (#   1807:20  Unique         2.72, 4.72 A)
 &rst
  ixpk= 1807, nxpk= 20, iat= 577,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#   24 TRP  HB-          25 ALA  MB          4.50    (#   1808:20  Unique         5.32, 6.14 A)
 &rst
  ixpk= 1808, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 402, 403,
 igr2= 426, 427, 428,
 &end
#
#    0 AMB  20-2:1809   117 VAL  MGY         5.50    (#   1809:20  Single Ambig)
 &rst
  ixpk= 1809, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1767,1849,
 igr2=1825,1826,1827,1829,1830,1831,
 &end
#
#   25 ALA  MB           68 VAL  MGX         4.50    (#   1811:20  Unique         2.53, 5.59 A)
 &rst
  ixpk= 1811, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 426, 427, 428,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#  120 LEU  HN          120 LEU  MDX         4.50    (#   1812:20  Unique         2.61, 4.01 A)
 &rst
  ixpk= 1812, nxpk= 20, iat=1864,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
#    0 AMB  20-2:1813   108 LEU  MDY         4.50    (#   1813:20  Single Ambig)
 &rst
  ixpk= 1813, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1683, 603,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#  109 THR  HN          109 THR  MG2         4.50    (#   1814:20  Unique         2.40, 3.92 A)
 &rst
  ixpk= 1814, nxpk= 20, iat=1702,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1708,1709,1710,
 &end
#
#  101 GLY  HA+         100 VAL  MGY         5.50    (#   1815:20  Unique         3.12, 4.93 A)
 &rst
  ixpk= 1815, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1568,1569,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#   31 GLY  HA-          64 LEU  MDX         4.50    (#   1816:20  Unique         1.99, 5.92 A)
 &rst
  ixpk= 1816, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 509, 510,
 igr2= 982, 983, 984, 986, 987, 988,
 &end
#
#   32 TYR  HA           64 LEU  MDX         4.50    (#   1817:20  Unique         2.86, 5.51 A)
 &rst
  ixpk= 1817, nxpk= 20, iat= 516,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 982, 983, 984, 986, 987, 988,
 &end
#
#   65 LEU  HN           64 LEU  MDX         4.50    (#   1818:20  Unique         2.63, 5.12 A)
 &rst
  ixpk= 1818, nxpk= 20, iat= 992,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 982, 983, 984, 986, 987, 988,
 &end
#
#   64 LEU  HN           64 LEU  MDX         4.50    (#   1819:20  Unique         1.90, 4.47 A)
 &rst
  ixpk= 1819, nxpk= 20, iat= 973,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 982, 983, 984, 986, 987, 988,
 &end
#
#    0 AMB  20-2:1822    65 LEU  MDX         4.50    (#   1822:20  Single Ambig)
 &rst
  ixpk= 1822, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 215, 216,1048,
 igr2=1001,1002,1003,1005,1006,1007,
 &end
#
#    0 AMB  20-2:1823    65 LEU  MDX         4.50    (#   1823:20  Single Ambig)
 &rst
  ixpk= 1823, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1= 459, 468,1132,1137,
 igr2=1001,1002,1003,1005,1006,1007,
 &end
#
#   69 ALA  HN           65 LEU  MDX         4.50    (#   1824:20  Unique         2.04, 4.75 A)
 &rst
  ixpk= 1824, nxpk= 20, iat=1060,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1001,1002,1003,1005,1006,1007,
 &end
#
#   64 LEU  HA           64 LEU  MDX         3.50    (#   1825:20  Unique         1.96, 3.81 A)
 &rst
  ixpk= 1825, nxpk= 20, iat= 975,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 982, 983, 984, 986, 987, 988,
 &end
#
#   12 ASP  HB+          76 VAL  MGX         4.50    (#   1827:20  Unique         1.95, 4.20 A)
 &rst
  ixpk= 1827, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 178, 179,
 igr2=1166,1167,1168,1170,1171,1172,
 &end
#
#   12 ASP  HB-          76 VAL  MGX         4.50    (#   1828:20  Unique         1.95, 4.20 A)
 &rst
  ixpk= 1828, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 178, 179,
 igr2=1166,1167,1168,1170,1171,1172,
 &end
#
#   77 ASN  HN           76 VAL  MGX         4.50    (#   1829:20  Unique         2.91, 4.58 A)
 &rst
  ixpk= 1829, nxpk= 20, iat=1176,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1166,1167,1168,1170,1171,1172,
 &end
#
#   99 LEU  HB-          60 VAL  MGY         4.50    (#   1830:20  Unique         2.65, 4.86 A)
 &rst
  ixpk= 1830, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1535,1536,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   93 ILE  HA           28 VAL  MGX         4.50    (#   1831:20  Unique         2.42, 4.57 A)
 &rst
  ixpk= 1831, nxpk= 20, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#   33 VAL  HA           28 VAL  MGX         4.50    (#   1832:20  Unique         2.10, 3.90 A)
 &rst
  ixpk= 1832, nxpk= 20, iat= 537,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#   28 VAL  HN           28 VAL  MGX         4.50    (#   1833:20  Unique         2.34, 3.29 A)
 &rst
  ixpk= 1833, nxpk= 20, iat= 472,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#  102 GLN  HN           60 VAL  MGY         4.50    (#   1834:20  Unique         3.23, 4.79 A)
 &rst
  ixpk= 1834, nxpk= 20, iat=1573,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   34 VAL  HN           28 VAL  MGX         4.50    (#   1835:20  Unique         2.84, 4.75 A)
 &rst
  ixpk= 1835, nxpk= 20, iat= 551,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#  101 GLY  HN           60 VAL  MGY         5.50    (#   1836:20  Unique         3.28, 4.77 A)
 &rst
  ixpk= 1836, nxpk= 20, iat=1566,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   61 LYS  HN           60 VAL  MGY         4.50    (#   1837:20  Unique         2.15, 4.11 A)
 &rst
  ixpk= 1837, nxpk= 20, iat= 914,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#  102 GLN  HB+         104 VAL  MGX         5.50    (#   1838:20  Unique         4.00, 6.92 A)
 &rst
  ixpk= 1838, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1577,1578,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#   61 LYS  HB-          37 ALA  MB          4.50    (#   1839:20  Unique         1.98, 3.86 A)
 &rst
  ixpk= 1839, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 918, 919,
 igr2= 607, 608, 609,
 &end
#
#   38 PRO  HG+          37 ALA  MB          4.50    (#   1840:20  Unique         3.69, 5.04 A)
 &rst
  ixpk= 1840, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 617, 618,
 igr2= 607, 608, 609,
 &end
#
#   35 HIS  HE1          37 ALA  MB          4.50    (#   1841:20  Unique         3.03, 4.37 A)
 &rst
  ixpk= 1841, nxpk= 20, iat= 577,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 607, 608, 609,
 &end
#
#  105 LEU  HB+         104 VAL  MGX         5.50    (#   1842:20  Unique         4.68, 6.58 A)
 &rst
  ixpk= 1842, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1625,1626,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#  106 TYR  HN          104 VAL  MGX         4.50    (#   1843:20  Unique         1.90, 3.98 A)
 &rst
  ixpk= 1843, nxpk= 20, iat=1640,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#  106 TYR  HE          104 VAL  MGX         4.50    (#   1844:20  Unique         2.34, 4.16 A)
 &rst
  ixpk= 1844, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1650,1655,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#   35 HIS  HE1          68 VAL  MGY         4.50    (#   1847:20  Unique         2.72, 4.72 A)
 &rst
  ixpk= 1847, nxpk= 20, iat= 577,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#   68 VAL  HN           68 VAL  MGY         4.50    (#   1848:20  Unique         1.95, 3.77 A)
 &rst
  ixpk= 1848, nxpk= 20, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#  117 VAL  HA          117 VAL  MGX         4.50    (#   1849:20  Unique         2.35, 3.47 A)
 &rst
  ixpk= 1849, nxpk= 20, iat=1821,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1825,1826,1827,1829,1830,1831,
 &end
#
#   24 TRP  HE3         117 VAL  MGX         5.50    (#   1850:20  Unique         2.52, 4.51 A)
 &rst
  ixpk= 1850, nxpk= 20, iat= 417,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1825,1826,1827,1829,1830,1831,
 &end
#
#  118 ASN  HD2+        117 VAL  MGX         5.50    (#   1851:20  Unique         1.93, 5.16 A)
 &rst
  ixpk= 1851, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1844,1845,
 igr2=1825,1826,1827,1829,1830,1831,
 &end
#
#    0 AMB  20-2:1853   125 ALA  MB          4.50    (#   1853:20  Single Ambig)
 &rst
  ixpk= 1853, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1853,1854,1856,1857,
 igr2=1955,1956,1957,
 &end
#
#  119 GLU  HG+         125 ALA  MB          4.50    (#   1854:20  Unique         1.99, 4.17 A)
 &rst
  ixpk= 1854, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1856,1857,
 igr2=1955,1956,1957,
 &end
#
#  115 HIS  HA          125 ALA  MB          5.50    (#   1856:20  Unique         2.05, 3.58 A)
 &rst
  ixpk= 1856, nxpk= 20, iat=1784,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1955,1956,1957,
 &end
#
#  125 ALA  HN          125 ALA  MB          3.50    (#   1857:20  Unique         2.07, 2.96 A)
 &rst
  ixpk= 1857, nxpk= 20, iat=1951,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2=1955,1956,1957,
 &end
#
#    0 AMB  20-2:1858    76 VAL  MGY         3.50    (#   1858:20  Single Ambig)
 &rst
  ixpk= 1858, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1199,1200,1199,1200,
 igr2=1166,1167,1168,1170,1171,1172,
 &end
#
#   76 VAL  HN           76 VAL  MGY         4.50    (#   1859:20  Unique         1.92, 3.66 A)
 &rst
  ixpk= 1859, nxpk= 20, iat=1160,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1166,1167,1168,1170,1171,1172,
 &end
#
#   13 LEU  HN           76 VAL  MGY         5.50    (#   1860:20  Unique         2.85, 5.70 A)
 &rst
  ixpk= 1860, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1166,1167,1168,1170,1171,1172,
 &end
#
#  104 VAL  HA          104 VAL  MGY         4.50    (#   1861:20  Unique         2.49, 3.50 A)
 &rst
  ixpk= 1861, nxpk= 20, iat=1607,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#    0 AMB  20-2:1862   104 VAL  MGY         4.50    (#   1862:20  Single Ambig)
 &rst
  ixpk= 1862, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 849,1642,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#  106 TYR  HN          104 VAL  MGY         4.50    (#   1863:20  Unique         1.90, 3.98 A)
 &rst
  ixpk= 1863, nxpk= 20, iat=1640,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#  103 GLU  HA          104 VAL  MGY         4.50    (#   1864:20  Unique         3.77, 4.90 A)
 &rst
  ixpk= 1864, nxpk= 20, iat=1592,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#  125 ALA  HN          124 VAL  MGY         5.50    (#   1865:20  Unique         2.28, 4.33 A)
 &rst
  ixpk= 1865, nxpk= 20, iat=1951,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1941,1942,1943,1945,1946,1947,
 &end
#
#   62 LYS  HE-          28 VAL  MGY         4.50    (#   1866:20  Unique         2.06, 4.80 A)
 &rst
  ixpk= 1866, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 949, 950,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#   62 LYS  HG+          28 VAL  MGY         4.50    (#   1867:20  Unique         3.00, 5.06 A)
 &rst
  ixpk= 1867, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 943, 944,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#   93 ILE  HG1+         28 VAL  MGY         4.50    (#   1868:20  Unique         3.14, 5.25 A)
 &rst
  ixpk= 1868, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1441,1442,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#   32 TYR  HD           28 VAL  MGY         4.50    (#   1869:20  Unique         3.93, 6.38 A)
 &rst
  ixpk= 1869, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 522, 531,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#    0 AMB  20-2:1870    28 VAL  MGY         5.50    (#   1870:20  Single Ambig)
 &rst
  ixpk= 1870, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 535, 432,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#   70 GLY  HN           69 ALA  MB          4.50    (#   1873:20  Unique         2.06, 3.11 A)
 &rst
  ixpk= 1873, nxpk= 20, iat=1070,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1064,1065,1066,
 &end
#
#   74 TYR  HD           69 ALA  MB          3.50    (#   1874:20  Unique         2.45, 4.04 A)
 &rst
  ixpk= 1874, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1130,1139,
 igr2=1064,1065,1066,
 &end
#
#   74 TYR  HE           69 ALA  MB          4.50    (#   1875:20  Unique         2.44, 3.89 A)
 &rst
  ixpk= 1875, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1132,1137,
 igr2=1064,1065,1066,
 &end
#
#   74 TYR  HB+          69 ALA  MB          4.50    (#   1876:20  Unique         3.03, 4.47 A)
 &rst
  ixpk= 1876, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1126,1127,
 igr2=1064,1065,1066,
 &end
#
#   66 TYR  HA           69 ALA  MB          4.50    (#   1877:20  Unique         3.58, 4.68 A)
 &rst
  ixpk= 1877, nxpk= 20, iat=1013,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1064,1065,1066,
 &end
#
#    0 AMB  20-2:1878    96 ALA  MB          5.50    (#   1878:20  Single Ambig)
 &rst
  ixpk= 1878, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.64, r4= 9.39,
 igr1=1454,1455,1520,1521, 539,
 igr2=1495,1496,1497,
 &end
#
#   94 GLN  HA           96 ALA  MB          5.50    (#   1879:20  Unique         5.21, 6.27 A)
 &rst
  ixpk= 1879, nxpk= 20, iat=1452,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1495,1496,1497,
 &end
#
#    3 ALA  HA            3 ALA  MB          4.50    (#   1880:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 1880, nxpk= 20, iat=  47,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  49,  50,  51,
 &end
#
#   65 LEU  MDX          69 ALA  MB          4.50    (#   1882:20  Unique         1.96, 4.57 A)
 &rst
  ixpk= 1882, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1001,1002,1003,1005,1006,1007,
 igr2=1064,1065,1066,
 &end
#
#    0 AMB  20-2:1883    69 ALA  MB          3.50    (#   1883:20  Single Ambig)
 &rst
  ixpk= 1883, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.06, r4= 6.81,
 igr1=1001,1002,1003,1005,1006,1007, 252, 253, 254,
 igr2=1064,1065,1066,
 &end
#
#   16 ILE  QG2          69 ALA  MB          4.50    (#   1884:20  Unique         1.99, 5.03 A)
 &rst
  ixpk= 1884, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 245, 246, 247,
 igr2=1064,1065,1066,
 &end
#
#   94 GLN  HA           93 ILE  QG2         4.50    (#   1885:20  Unique         3.69, 4.71 A)
 &rst
  ixpk= 1885, nxpk= 20, iat=1452,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1437,1438,1439,
 &end
#
#   94 GLN  HN           93 ILE  QG2         4.50    (#   1886:20  Unique         3.57, 4.36 A)
 &rst
  ixpk= 1886, nxpk= 20, iat=1450,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1437,1438,1439,
 &end
#
#    0 AMB  20-2:1887    93 ILE  QG2         4.50    (#   1887:20  Single Ambig)
 &rst
  ixpk= 1887, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1431, 507,
 igr2=1437,1438,1439,
 &end
#
#   17 PHE  HN           16 ILE  QG2         4.50    (#   1888:20  Unique         2.15, 3.90 A)
 &rst
  ixpk= 1888, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 245, 246, 247,
 &end
#
#   27 TYR  HA           33 VAL  MGY         4.50    (#   1890:20  Unique         1.87, 3.83 A)
 &rst
  ixpk= 1890, nxpk= 20, iat= 453,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#   35 HIS  HD2          33 VAL  MGY         5.50    (#   1891:20  Unique         4.10, 6.60 A)
 &rst
  ixpk= 1891, nxpk= 20, iat= 580,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#   15 GLU  HN           14 ILE  QG2         4.50    (#   1892:20  Unique         1.95, 3.10 A)
 &rst
  ixpk= 1892, nxpk= 20, iat= 224,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 211, 212, 213,
 &end
#
#   14 ILE  HN           14 ILE  QG2         5.50    (#   1893:20  Unique         4.39, 4.68 A)
 &rst
  ixpk= 1893, nxpk= 20, iat= 205,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 211, 212, 213,
 &end
#
#   11 GLY  HA-          92 ILE  QG2         4.50    (#   1894:20  Unique         1.97, 3.23 A)
 &rst
  ixpk= 1894, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 169, 170,
 igr2=1418,1419,1420,
 &end
#
#    0 AMB  20-2:1895    92 ILE  QG2         5.50    (#   1895:20  Single Ambig)
 &rst
  ixpk= 1895, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1883,1450,
 igr2=1418,1419,1420,
 &end
#
#   92 ILE  HN           92 ILE  QG2         4.50    (#   1896:20  Unique         4.27, 4.52 A)
 &rst
  ixpk= 1896, nxpk= 20, iat=1412,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1418,1419,1420,
 &end
#
#    5 ILE  HA            5 ILE  QG2         4.50    (#   1898:20  Unique         2.02, 2.89 A)
 &rst
  ixpk= 1898, nxpk= 20, iat=  71,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=  75,  76,  77,
 &end
#
#  101 GLY  HA-          59 ILE  QG2         5.50    (#   1899:20  Unique         4.69, 7.78 A)
 &rst
  ixpk= 1899, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1568,1569,
 igr2= 885, 886, 887,
 &end
#
#   39 PRO  HA           59 ILE  QG2         4.50    (#   1900:20  Unique         2.07, 3.05 A)
 &rst
  ixpk= 1900, nxpk= 20, iat= 637,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 885, 886, 887,
 &end
#
#    0 AMB  20-2:1901    26 ILE  QD1         3.50    (#   1901:20  Single Ambig)
 &rst
  ixpk= 1901, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 436,1887,1888,
 igr2= 445, 446, 447,
 &end
#
#  120 LEU  HB-          26 ILE  QD1         4.50    (#   1902:20  Unique         1.97, 3.24 A)
 &rst
  ixpk= 1902, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1868,1869,
 igr2= 445, 446, 447,
 &end
#
#    0 AMB  20-2:1903    26 ILE  QD1         4.50    (#   1903:20  Single Ambig)
 &rst
  ixpk= 1903, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1885,1866,
 igr2= 445, 446, 447,
 &end
#
#   11 GLY  HA-          26 ILE  QD1         5.50    (#   1904:20  Unique         3.94, 5.79 A)
 &rst
  ixpk= 1904, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 169, 170,
 igr2= 445, 446, 447,
 &end
#
#   33 VAL  HB           26 ILE  QG2         5.50    (#   1905:20  Unique         3.55, 4.79 A)
 &rst
  ixpk= 1905, nxpk= 20, iat= 539,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 438, 439, 440,
 &end
#
#   34 VAL  HN           26 ILE  QG2         4.50    (#   1906:20  Unique         1.84, 2.61 A)
 &rst
  ixpk= 1906, nxpk= 20, iat= 551,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 438, 439, 440,
 &end
#
#  117 VAL  MGY          26 ILE  QG2         3.50    (#   1907:20  Unique         1.98, 6.04 A)
 &rst
  ixpk= 1907, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1825,1826,1827,1829,1830,1831,
 igr2= 438, 439, 440,
 &end
#
#   11 GLY  HA+          92 ILE  QD1         5.50    (#   1908:20  Unique         1.98, 3.85 A)
 &rst
  ixpk= 1908, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 169, 170,
 igr2=1425,1426,1427,
 &end
#
#   11 GLY  HA-          92 ILE  QD1         4.50    (#   1909:20  Unique         1.98, 3.85 A)
 &rst
  ixpk= 1909, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 169, 170,
 igr2=1425,1426,1427,
 &end
#
#   92 ILE  HN           92 ILE  QD1         4.50    (#   1910:20  Unique         2.17, 3.83 A)
 &rst
  ixpk= 1910, nxpk= 20, iat=1412,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1425,1426,1427,
 &end
#
#   65 LEU  MDX          16 ILE  QD1         4.50    (#   1911:20  Unique         2.17, 5.17 A)
 &rst
  ixpk= 1911, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1001,1002,1003,1005,1006,1007,
 igr2= 252, 253, 254,
 &end
#
#   73 LYS  HN           16 ILE  QD1         5.50    (#   1913:20  Unique         5.25, 7.01 A)
 &rst
  ixpk= 1913, nxpk= 20, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 252, 253, 254,
 &end
#
#   39 PRO  HA           59 ILE  QD1         4.50    (#   1914:20  Unique         2.22, 3.50 A)
 &rst
  ixpk= 1914, nxpk= 20, iat= 637,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 892, 893, 894,
 &end
#
#   59 ILE  HN           59 ILE  QD1         5.50    (#   1915:20  Unique         4.64, 5.07 A)
 &rst
  ixpk= 1915, nxpk= 20, iat= 879,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 892, 893, 894,
 &end
#
#   90 SER  HA           93 ILE  QD1         4.50    (#   1916:20  Unique         2.66, 4.36 A)
 &rst
  ixpk= 1916, nxpk= 20, iat=1381,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1444,1445,1446,
 &end
#
#   65 LEU  MDX          14 ILE  QD1         5.50    (#   1917:20  Unique         1.97, 4.94 A)
 &rst
  ixpk= 1917, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1001,1002,1003,1005,1006,1007,
 igr2= 218, 219, 220,
 &end
#
#    8 PRO  HG+          14 ILE  QD1         4.50    (#   1918:20  Unique         4.25, 6.01 A)
 &rst
  ixpk= 1918, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 121, 122,
 igr2= 218, 219, 220,
 &end
#
#    8 PRO  HB+          14 ILE  QD1         4.50    (#   1919:20  Unique         3.15, 4.55 A)
 &rst
  ixpk= 1919, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 124, 125,
 igr2= 218, 219, 220,
 &end
#
#   27 TYR  HB-          14 ILE  QD1         4.50    (#   1920:20  Unique         1.90, 3.56 A)
 &rst
  ixpk= 1920, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 455, 456,
 igr2= 218, 219, 220,
 &end
#
#   13 LEU  HN           13 LEU  HB+         5.50    (#   1921:20  Unique         2.13, 2.92 A)
 &rst
  ixpk= 1921, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 190, 191,
 &end
#
#   83 LYS  HB+          83 LYS  HE-         4.50    (#   1923:20  Unique         2.14, 3.76 A)
 &rst
  ixpk= 1923, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1271,1272,
 igr2=1280,1281,
 &end
#
#   93 ILE  HN           92 ILE  HA          5.50    (#   1924:20  Unique         3.55, 3.56 A)
 &rst
  ixpk= 1924, nxpk= 20, iat=1431,1414, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   16 ILE  HN           16 ILE  HA          4.50    (#   1925:20  Unique         2.92, 2.93 A)
 &rst
  ixpk= 1925, nxpk= 20, iat= 239, 241, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  119 GLU  HN          119 GLU  HA          3.50    (#   1926:20  Unique         2.79, 2.82 A)
 &rst
  ixpk= 1926, nxpk= 20, iat=1849,1851, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    5 ILE  HG1-          5 ILE  HA          4.50    (#   1927:20  Unique         2.79, 3.61 A)
 &rst
  ixpk= 1927, nxpk= 20, iat=  -1,  71, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  79,  80,
 &end
#
#   68 VAL  HN           67 ASP  HA          4.50    (#   1928:20  Unique         3.44, 3.49 A)
 &rst
  ixpk= 1928, nxpk= 20, iat=1044,1034, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 ILE  HN           24 TRP  HA          4.50    (#   1929:20  Unique         3.05, 3.17 A)
 &rst
  ixpk= 1929, nxpk= 20, iat= 239, 400, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   58 ALA  HN            0 AMB  20-1:1930   4.50    (#   1930:20  Single Ambig)
 &rst
  ixpk= 1930, nxpk= 20, iat= 869,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1663,1685,
 &end
#
#   83 LYS  HN           82 ASP  HA          4.50    (#   1931:20  Unique         3.39, 3.46 A)
 &rst
  ixpk= 1931, nxpk= 20, iat=1267,1257, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    7 GLU  HG+           7 GLU  HA          4.50    (#   1932:20  Unique         2.20, 3.39 A)
 &rst
  ixpk= 1932, nxpk= 20, iat=  -1, 104, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 109, 110,
 &end
#
#   33 VAL  MGX          27 TYR  HB+         5.50    (#   1935:20  Unique         3.12, 5.84 A)
 &rst
  ixpk= 1935, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 541, 542, 543, 545, 546, 547,
 igr2= 455, 456,
 &end
#
#   93 ILE  HG1+         93 ILE  HB          3.50    (#   1936:20  Unique         2.32, 2.73 A)
 &rst
  ixpk= 1936, nxpk= 20, iat=  -1,1435, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1441,1442,
 &end
#
#   12 ASP  HN           12 ASP  HB+         4.50    (#   1937:20  Unique         2.33, 3.10 A)
 &rst
  ixpk= 1937, nxpk= 20, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 178, 179,
 &end
#
#   12 ASP  HA           12 ASP  HB+         4.50    (#   1938:20  Unique         2.32, 2.74 A)
 &rst
  ixpk= 1938, nxpk= 20, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 178, 179,
 &end
#
#   14 ILE  HG1+         14 ILE  HA          5.50    (#   1939:20  Unique         2.99, 3.42 A)
 &rst
  ixpk= 1939, nxpk= 20, iat=  -1, 207, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 215, 216,
 &end
#
#    0 AMB  20-2:1940    14 ILE  QD1         4.50    (#   1940:20  Single Ambig)
 &rst
  ixpk= 1940, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 178, 179,1126,1127,
 igr2= 218, 219, 220,
 &end
#
#   12 ASP  HB-          14 ILE  QD1         5.50    (#   1941:20  Unique         3.41, 4.75 A)
 &rst
  ixpk= 1941, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 178, 179,
 igr2= 218, 219, 220,
 &end
#
#   27 TYR  HD           14 ILE  QD1         4.50    (#   1942:20  Unique         1.95, 4.41 A)
 &rst
  ixpk= 1942, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 459, 468,
 igr2= 218, 219, 220,
 &end
#
#   27 TYR  HN           14 ILE  QD1         5.50    (#   1943:20  Unique         3.46, 4.70 A)
 &rst
  ixpk= 1943, nxpk= 20, iat= 451,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 218, 219, 220,
 &end
#
#   13 LEU  HN           12 ASP  HB+         5.50    (#   1944:20  Unique         2.06, 3.46 A)
 &rst
  ixpk= 1944, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 178, 179,
 &end
#
#   57 LYS  HA          105 LEU  MDY         5.50    (#   1948:20  Unique         3.55, 5.57 A)
 &rst
  ixpk= 1948, nxpk= 20, iat= 849,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1630,1631,1632,1634,1635,1636,
 &end
#
#    0 AMB  20-2:1949     0 AMB  20-1:1949   4.50    (#   1949:20  Double Ambig)
 &rst
  ixpk= 1949, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1=1621,1255,
 igr2=1630,1631,1632,1634,1635,1636,1274,1275,
 &end
#
#   83 LYS  HN           83 LYS  HG+         5.50    (#   1950:20  Unique         1.88, 2.85 A)
 &rst
  ixpk= 1950, nxpk= 20, iat=1267,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1274,1275,
 &end
#
#  121 ARG  HD+          13 LEU  MDY         4.50    (#   1951:20  Unique         2.00, 4.94 A)
 &rst
  ixpk= 1951, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1893,1894,
 igr2= 195, 196, 197, 199, 200, 201,
 &end
#
#   14 ILE  HB           14 ILE  HG1+        3.50    (#   1952:20  Unique         2.40, 2.46 A)
 &rst
  ixpk= 1952, nxpk= 20, iat= 209,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 215, 216,
 &end
#
#   75 GLN  HN           14 ILE  QG2         4.50    (#   1953:20  Unique         3.22, 4.19 A)
 &rst
  ixpk= 1953, nxpk= 20, iat=1143,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 211, 212, 213,
 &end
#
#   74 TYR  HA           14 ILE  QG2         5.50    (#   1954:20  Unique         4.79, 5.63 A)
 &rst
  ixpk= 1954, nxpk= 20, iat=1124,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 211, 212, 213,
 &end
#
#   16 ILE  HN           15 GLU  HG-         5.50    (#   1957:20  Unique         2.42, 3.59 A)
 &rst
  ixpk= 1957, nxpk= 20, iat= 239,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 231, 232,
 &end
#
#   16 ILE  HN           16 ILE  HB          4.50    (#   1958:20  Unique         2.51, 2.63 A)
 &rst
  ixpk= 1958, nxpk= 20, iat= 239, 243, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   16 ILE  QD1          16 ILE  HB          3.50    (#   1959:20  Unique         2.70, 3.85 A)
 &rst
  ixpk= 1959, nxpk= 20, iat=  -1, 243, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 252, 253, 254,
 &end
#
#   23 HIS  HB-          16 ILE  HB          3.50    (#   1960:20  Unique         1.99, 2.35 A)
 &rst
  ixpk= 1960, nxpk= 20, iat=  -1, 243, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 385, 386,
 &end
#
#   74 TYR  HB+          16 ILE  HG1+        4.50    (#   1961:20  Unique         1.99, 4.21 A)
 &rst
  ixpk= 1961, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1126,1127,
 igr2= 249, 250,
 &end
#
#   16 ILE  HB           16 ILE  QD1         3.50    (#   1962:20  Unique         2.70, 3.85 A)
 &rst
  ixpk= 1962, nxpk= 20, iat= 243,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 252, 253, 254,
 &end
#
#   23 HIS  HB-          16 ILE  QD1         4.50    (#   1963:20  Unique         1.97, 5.19 A)
 &rst
  ixpk= 1963, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 385, 386,
 igr2= 252, 253, 254,
 &end
#
#   16 ILE  HA           16 ILE  QD1         5.50    (#   1964:20  Unique         2.32, 3.20 A)
 &rst
  ixpk= 1964, nxpk= 20, iat= 241,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 252, 253, 254,
 &end
#
#   69 ALA  HA           16 ILE  QD1         5.50    (#   1965:20  Unique         1.95, 3.01 A)
 &rst
  ixpk= 1965, nxpk= 20, iat=1062,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 252, 253, 254,
 &end
#
#    0 AMB  20-2:1966    16 ILE  QG2         5.50    (#   1966:20  Single Ambig)
 &rst
  ixpk= 1966, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 282, 283,1104,1105,
 igr2= 245, 246, 247,
 &end
#
#    0 AMB  20-2:1967    16 ILE  QG2         4.50    (#   1967:20  Single Ambig)
 &rst
  ixpk= 1967, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 385, 386, 288, 289,
 igr2= 245, 246, 247,
 &end
#
#   74 TYR  HA           16 ILE  QG2         5.50    (#   1968:20  Unique         3.63, 5.19 A)
 &rst
  ixpk= 1968, nxpk= 20, iat=1124,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 245, 246, 247,
 &end
#
#    0 AMB  20-2:1969    16 ILE  QG2         5.50    (#   1969:20  Single Ambig)
 &rst
  ixpk= 1969, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1100, 239,
 igr2= 245, 246, 247,
 &end
#
#   23 HIS  HN           17 PHE  HA          5.50    (#   1970:20  Unique         3.53, 3.97 A)
 &rst
  ixpk= 1970, nxpk= 20, iat= 381, 260, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 PHE  HA           17 PHE  HB+         4.50    (#   1972:20  Unique         2.34, 2.79 A)
 &rst
  ixpk= 1972, nxpk= 20, iat= 260,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 262, 263,
 &end
#
#   18 ARG  HB+          17 PHE  HB+         5.50    (#   1973:20  Unique         5.87, 6.62 A)
 &rst
  ixpk= 1973, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 282, 283,
 igr2= 262, 263,
 &end
#
#   17 PHE  HN           17 PHE  HB+         5.50    (#   1974:20  Unique         2.12, 2.95 A)
 &rst
  ixpk= 1974, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 262, 263,
 &end
#
#   18 ARG  HG-          18 ARG  HA          4.50    (#   1975:20  Unique         2.08, 2.62 A)
 &rst
  ixpk= 1975, nxpk= 20, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 285, 286,
 &end
#
#   18 ARG  HN           18 ARG  HA          4.50    (#   1976:20  Unique         2.92, 2.94 A)
 &rst
  ixpk= 1976, nxpk= 20, iat= 278, 280, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:1977     0 AMB  20-1:1977   3.50    (#   1977:20  Double Ambig)
 &rst
  ixpk= 1977, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 499, 500,1092,1093,
 igr2= 497, 280,
 &end
#
#   18 ARG  HN           18 ARG  HB+         4.50    (#   1978:20  Unique         2.21, 2.88 A)
 &rst
  ixpk= 1978, nxpk= 20, iat= 278,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 282, 283,
 &end
#
#   18 ARG  HD-          18 ARG  HB+         5.50    (#   1979:20  Unique         2.02, 2.89 A)
 &rst
  ixpk= 1979, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 288, 289,
 igr2= 282, 283,
 &end
#
#   95 ARG  HD-          95 ARG  HG+         4.50    (#   1980:20  Unique         2.22, 2.71 A)
 &rst
  ixpk= 1980, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1477,1478,
 igr2=1474,1475,
 &end
#
#   18 ARG  HG-          18 ARG  HB+         4.50    (#   1981:20  Unique         2.22, 2.72 A)
 &rst
  ixpk= 1981, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 285, 286,
 igr2= 282, 283,
 &end
#
#   38 PRO  HB+         108 LEU  MDX         4.50    (#   1983:20  Unique         2.07, 5.22 A)
 &rst
  ixpk= 1983, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 620, 621,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#   38 PRO  HD-         108 LEU  MDX         4.50    (#   1984:20  Unique         2.08, 4.52 A)
 &rst
  ixpk= 1984, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 614, 615,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#   39 PRO  HD+         108 LEU  MDX         5.50    (#   1985:20  Unique         3.30, 5.86 A)
 &rst
  ixpk= 1985, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 628, 629,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#    0 AMB  20-2:1986   108 LEU  MDX         5.50    (#   1986:20  Single Ambig)
 &rst
  ixpk= 1986, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1758, 637,
 igr2=1692,1693,1694,1696,1697,1698,
 &end
#
#   19 PRO  HB+          19 PRO  HG+         4.50    (#   1987:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 1987, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 309, 310,
 igr2= 306, 307,
 &end
#
#   38 PRO  HA           39 PRO  HD-         3.50    (#   1988:20  Unique         2.30, 2.39 A)
 &rst
  ixpk= 1988, nxpk= 20, iat= 623,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 628, 629,
 &end
#
#   58 ALA  HA           39 PRO  HD-         4.50    (#   1989:20  Unique         1.98, 3.01 A)
 &rst
  ixpk= 1989, nxpk= 20, iat= 871,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 628, 629,
 &end
#
#   22 ARG  HN           21 TYR  HB+         4.50    (#   1990:20  Unique         1.79, 2.60 A)
 &rst
  ixpk= 1990, nxpk= 20, iat= 357,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 340, 341,
 &end
#
#   22 ARG  HN           21 TYR  HB-         4.50    (#   1991:20  Unique         1.79, 2.60 A)
 &rst
  ixpk= 1991, nxpk= 20, iat= 357,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 340, 341,
 &end
#
#    0 AMB  20-2:1994     0 AMB  20-1:1994   3.50    (#   1994:20  Double Ambig)
 &rst
  ixpk= 1994, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 357,1605,
 igr2= 361, 362,1594,1595,
 &end
#
#    0 AMB  20-2:1996    23 HIS  HA          5.50    (#   1996:20  Single Ambig)
 &rst
  ixpk= 1996, nxpk= 20, iat=  -1, 383, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 243, 364, 365,
 &end
#
#  117 VAL  MGX          24 TRP  HB+         4.50    (#   1997:20  Unique         2.30, 4.51 A)
 &rst
  ixpk= 1997, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1825,1826,1827,1829,1830,1831,
 igr2= 402, 403,
 &end
#
#    0 AMB  20-2:1998    24 TRP  HB-         4.50    (#   1998:20  Single Ambig)
 &rst
  ixpk= 1998, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 417, 400,
 igr2= 402, 403,
 &end
#
#    0 AMB  20-2:1999     0 AMB  20-1:1999   4.50    (#   1999:20  Double Ambig)
 &rst
  ixpk= 1999, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 417, 400,
 igr2= 402, 403, 402, 403,
 &end
#
#   24 TRP  HN           24 TRP  HB+         5.50    (#   2000:20  Unique         2.21, 2.88 A)
 &rst
  ixpk= 2000, nxpk= 20, iat= 398,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 402, 403,
 &end
#
#    0 AMB  20-2:2002    25 ALA  HA          2.80    (#   2002:20  Single Ambig)
 &rst
  ixpk= 2002, nxpk= 20, iat=  -1, 424, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1825,1826,1827,1829,1830,1831, 426, 427, 428,
 &end
#
#   35 HIS  HB+          25 ALA  HA          3.50    (#   2003:20  Unique         2.48, 3.18 A)
 &rst
  ixpk= 2003, nxpk= 20, iat=  -1, 424, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 571, 572,
 &end
#
#   26 ILE  HN           25 ALA  HA          3.50    (#   2004:20  Unique         2.42, 2.55 A)
 &rst
  ixpk= 2004, nxpk= 20, iat= 432, 424, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 VAL  HN           25 ALA  MB          4.50    (#   2005:20  Unique         3.86, 5.15 A)
 &rst
  ixpk= 2005, nxpk= 20, iat= 551,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 426, 427, 428,
 &end
#
#    0 AMB  20-2:2006    25 ALA  MB          4.50    (#   2006:20  Single Ambig)
 &rst
  ixpk= 2006, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 537, 383,
 igr2= 426, 427, 428,
 &end
#
#   26 ILE  HG1+         26 ILE  HB          2.80    (#   2007:20  Unique         2.52, 2.84 A)
 &rst
  ixpk= 2007, nxpk= 20, iat=  -1, 436, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 442, 443,
 &end
#
#  120 LEU  MDY          26 ILE  QD1         4.50    (#   2008:20  Unique         2.00, 4.90 A)
 &rst
  ixpk= 2008, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2= 445, 446, 447,
 &end
#
#  117 VAL  HB           26 ILE  QD1         5.50    (#   2009:20  Unique         2.00, 3.74 A)
 &rst
  ixpk= 2009, nxpk= 20, iat=1823,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 445, 446, 447,
 &end
#
#   11 GLY  HA+          26 ILE  QD1         5.50    (#   2010:20  Unique         3.94, 5.79 A)
 &rst
  ixpk= 2010, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 169, 170,
 igr2= 445, 446, 447,
 &end
#
#   26 ILE  HA           26 ILE  QD1         4.50    (#   2011:20  Unique         3.19, 4.02 A)
 &rst
  ixpk= 2011, nxpk= 20, iat= 434,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 445, 446, 447,
 &end
#
#    0 AMB  20-2:2012    26 ILE  QD1         4.50    (#   2012:20  Single Ambig)
 &rst
  ixpk= 2012, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 451, 167,
 igr2= 445, 446, 447,
 &end
#
#  121 ARG  HN           26 ILE  QD1         5.50    (#   2013:20  Unique         2.63, 3.82 A)
 &rst
  ixpk= 2013, nxpk= 20, iat=1883,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 445, 446, 447,
 &end
#
#  117 VAL  HB           26 ILE  QG2         4.50    (#   2014:20  Unique         3.57, 5.09 A)
 &rst
  ixpk= 2014, nxpk= 20, iat=1823,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 438, 439, 440,
 &end
#
#    0 AMB  20-2:2015    26 ILE  QG2         4.50    (#   2015:20  Single Ambig)
 &rst
  ixpk= 2015, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 434, 553,
 igr2= 438, 439, 440,
 &end
#
#   33 VAL  MGX          27 TYR  HA          3.50    (#   2016:20  Unique         1.87, 3.83 A)
 &rst
  ixpk= 2016, nxpk= 20, iat=  -1, 453, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 541, 542, 543, 545, 546, 547,
 &end
#
#    0 AMB  20-2:2017     0 AMB  20-1:2017   4.50    (#   2017:20  Double Ambig)
 &rst
  ixpk= 2017, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 478, 479, 480, 482, 483, 484, 218, 219, 220,
 igr2= 453, 516,
 &end
#
#    0 AMB  20-2:2018    27 TYR  HA          4.50    (#   2018:20  Single Ambig)
 &rst
  ixpk= 2018, nxpk= 20, iat=  -1, 453, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 215, 216, 426, 427, 428,
 &end
#
#   27 TYR  HB+          27 TYR  HA          4.50    (#   2019:20  Unique         2.57, 2.80 A)
 &rst
  ixpk= 2019, nxpk= 20, iat=  -1, 453, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 455, 456,
 &end
#
#   64 LEU  HA           32 TYR  HA          3.50    (#   2020:20  Unique         2.21, 2.57 A)
 &rst
  ixpk= 2020, nxpk= 20, iat= 975, 516, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 VAL  HA           27 TYR  HA          3.50    (#   2021:20  Unique         2.51, 2.82 A)
 &rst
  ixpk= 2021, nxpk= 20, iat= 537, 453, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 VAL  HN           27 TYR  HA          3.50    (#   2022:20  Unique         2.14, 2.15 A)
 &rst
  ixpk= 2022, nxpk= 20, iat= 472, 453, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 VAL  HN           32 TYR  HA          3.50    (#   2023:20  Unique         2.14, 2.30 A)
 &rst
  ixpk= 2023, nxpk= 20, iat= 535, 516, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 ASN  HD2+        118 ASN  HB+         4.50    (#   2024:20  Unique         2.66, 3.52 A)
 &rst
  ixpk= 2024, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1844,1845,
 igr2=1839,1840,
 &end
#
#   28 VAL  MGY          28 VAL  HA          3.50    (#   2025:20  Unique         2.30, 3.56 A)
 &rst
  ixpk= 2025, nxpk= 20, iat=  -1, 474, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 478, 479, 480, 482, 483, 484,
 &end
#
#    0 AMB  20-2:2026    28 VAL  HA          2.80    (#   2026:20  Single Ambig)
 &rst
  ixpk= 2026, nxpk= 20, iat=  -1, 474, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1=1444,1445,1446, 478, 479, 480, 482, 483, 484,
 &end
#
#    0 AMB  20-2:2027    28 VAL  HA          3.50    (#   2027:20  Single Ambig)
 &rst
  ixpk= 2027, nxpk= 20, iat=  -1, 474, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1437,1438,1439, 438, 439, 440,
 &end
#
#   28 VAL  HB           28 VAL  HA          3.50    (#   2028:20  Unique         2.23, 2.33 A)
 &rst
  ixpk= 2028, nxpk= 20, iat= 476, 474, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   28 VAL  HN           28 VAL  HA          4.50    (#   2029:20  Unique         2.91, 2.94 A)
 &rst
  ixpk= 2029, nxpk= 20, iat= 472, 474, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   11 GLY  HN           28 VAL  HA          4.50    (#   2030:20  Unique         2.08, 2.30 A)
 &rst
  ixpk= 2030, nxpk= 20, iat= 167, 474, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   28 VAL  HN           28 VAL  HB          5.50    (#   2031:20  Unique         3.69, 3.78 A)
 &rst
  ixpk= 2031, nxpk= 20, iat= 472, 476, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   62 LYS  HE-          28 VAL  MGX         5.50    (#   2032:20  Unique         2.06, 4.80 A)
 &rst
  ixpk= 2032, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 949, 950,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#   64 LEU  MDX          31 GLY  HA+         4.50    (#   2033:20  Unique         1.99, 5.92 A)
 &rst
  ixpk= 2033, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 982, 983, 984, 986, 987, 988,
 igr2= 509, 510,
 &end
#
#   87 LEU  MDY         123 GLY  HA-         3.50    (#   2034:20  Unique         2.01, 4.73 A)
 &rst
  ixpk= 2034, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1344,1345,1346,1348,1349,1350,
 igr2=1930,1931,
 &end
#
#    0 AMB  20-2:2035     0 AMB  20-1:2035   5.50    (#   2035:20  Double Ambig)
 &rst
  ixpk= 2035, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3=10.49, r4=11.24,
 igr1= 982, 983, 984, 986, 987, 988,1344,1345,1346,1348,
      1349,1350,
 igr2= 509, 510,1930,1931,
 &end
#
#  123 GLY  HN          123 GLY  HA-         3.50    (#   2040:20  Unique         2.51, 2.79 A)
 &rst
  ixpk= 2040, nxpk= 20, iat=1928,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1930,1931,
 &end
#
#   32 TYR  HN           31 GLY  HA+         4.50    (#   2041:20  Unique         2.59, 3.19 A)
 &rst
  ixpk= 2041, nxpk= 20, iat= 514,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 509, 510,
 &end
#
#    0 AMB  20-2:2044     0 AMB  20-1:2044   2.80    (#   2044:20  Double Ambig)
 &rst
  ixpk= 2044, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1= 854, 855, 854, 855,
 igr2= 860, 861, 860, 861,
 &end
#
#    0 AMB  20-2:2046     0 AMB  20-1:2046   2.80    (#   2046:20  Double Ambig)
 &rst
  ixpk= 2046, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.60, r4= 6.35,
 igr1=1208,1209, 924, 925, 857, 858,1214,1215,
 igr2=1217,1218, 927, 928, 860, 861,1217,1218,
 &end
#
#   27 TYR  HB+          33 VAL  MGX         5.50    (#   2047:20  Unique         3.12, 5.84 A)
 &rst
  ixpk= 2047, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 455, 456,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#   33 VAL  HN           33 VAL  MGX         4.50    (#   2048:20  Unique         2.10, 3.48 A)
 &rst
  ixpk= 2048, nxpk= 20, iat= 535,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#    0 AMB  20-2:2049    33 VAL  MGY         4.50    (#   2049:20  Single Ambig)
 &rst
  ixpk= 2049, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 215, 216,1048,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#   33 VAL  HA           33 VAL  MGY         4.50    (#   2050:20  Unique         2.24, 3.47 A)
 &rst
  ixpk= 2050, nxpk= 20, iat= 537,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 541, 542, 543, 545, 546, 547,
 &end
#
#    0 AMB  20-2:2051    34 VAL  HA          5.50    (#   2051:20  Single Ambig)
 &rst
  ixpk= 2051, nxpk= 20, iat=  -1, 553, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1556,1557,1558,1560,1561,1562, 426, 427, 428,
 &end
#
#   34 VAL  HA           34 VAL  HB          4.50    (#   2052:20  Unique         2.30, 2.96 A)
 &rst
  ixpk= 2052, nxpk= 20, iat= 553, 555, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   34 VAL  HN           34 VAL  HB          3.50    (#   2053:20  Unique         2.77, 2.87 A)
 &rst
  ixpk= 2053, nxpk= 20, iat= 551, 555, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  120 LEU  MDY          34 VAL  MGX         4.50    (#   2055:20  Unique         2.69, 6.12 A)
 &rst
  ixpk= 2055, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2= 557, 558, 559, 561, 562, 563,
 &end
#
#   26 ILE  HB           34 VAL  MGX         4.50    (#   2056:20  Unique         2.08, 5.92 A)
 &rst
  ixpk= 2056, nxpk= 20, iat= 436,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 557, 558, 559, 561, 562, 563,
 &end
#
#   96 ALA  HA           34 VAL  MGX         4.50    (#   2057:20  Unique         2.87, 4.43 A)
 &rst
  ixpk= 2057, nxpk= 20, iat=1493,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 557, 558, 559, 561, 562, 563,
 &end
#
#   62 LYS  HA           34 VAL  MGX         5.50    (#   2058:20  Unique         2.61, 4.32 A)
 &rst
  ixpk= 2058, nxpk= 20, iat= 938,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 557, 558, 559, 561, 562, 563,
 &end
#
#   34 VAL  HN           34 VAL  MGX         4.50    (#   2059:20  Unique         1.99, 3.78 A)
 &rst
  ixpk= 2059, nxpk= 20, iat= 551,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 557, 558, 559, 561, 562, 563,
 &end
#
#  116 PHE  HE           34 VAL  MGX         3.50    (#   2060:20  Unique         1.98, 5.29 A)
 &rst
  ixpk= 2060, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1809,1813,
 igr2= 557, 558, 559, 561, 562, 563,
 &end
#
#   62 LYS  HA           34 VAL  MGY         4.50    (#   2061:20  Unique         2.61, 4.32 A)
 &rst
  ixpk= 2061, nxpk= 20, iat= 938,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 557, 558, 559, 561, 562, 563,
 &end
#
#    0 AMB  20-2:2062     0 AMB  20-1:2062   3.50    (#   2062:20  Double Ambig)
 &rst
  ixpk= 2062, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 553, 434,
 igr2= 557, 558, 559, 561, 562, 563, 195, 196, 197, 199,
       200, 201,
 &end
#
#   36 LEU  HN           35 HIS  HB+         4.50    (#   2064:20  Unique         2.17, 3.10 A)
 &rst
  ixpk= 2064, nxpk= 20, iat= 584,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 571, 572,
 &end
#
#    0 AMB  20-2:2065    36 LEU  HA          4.50    (#   2065:20  Single Ambig)
 &rst
  ixpk= 2065, nxpk= 20, iat=  -1, 586, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 914, 567,
 &end
#
#   36 LEU  MDX          36 LEU  HB+         4.50    (#   2066:20  Unique         2.03, 3.45 A)
 &rst
  ixpk= 2066, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 593, 594, 595, 597, 598, 599,
 igr2= 588, 589,
 &end
#
#   36 LEU  HG           36 LEU  HB+         3.50    (#   2067:20  Unique         2.24, 2.48 A)
 &rst
  ixpk= 2067, nxpk= 20, iat= 591,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 588, 589,
 &end
#
#   36 LEU  HG           36 LEU  HB-         3.50    (#   2069:20  Unique         2.24, 2.48 A)
 &rst
  ixpk= 2069, nxpk= 20, iat= 591,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 588, 589,
 &end
#
#   36 LEU  MDY          36 LEU  HB+         4.50    (#   2070:20  Unique         2.03, 3.45 A)
 &rst
  ixpk= 2070, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 593, 594, 595, 597, 598, 599,
 igr2= 588, 589,
 &end
#
#  108 LEU  MDX          36 LEU  HB+         4.50    (#   2071:20  Unique         1.97, 4.60 A)
 &rst
  ixpk= 2071, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1692,1693,1694,1696,1697,1698,
 igr2= 588, 589,
 &end
#
#  108 LEU  MDX          36 LEU  HB-         3.50    (#   2072:20  Unique         1.97, 4.60 A)
 &rst
  ixpk= 2072, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1692,1693,1694,1696,1697,1698,
 igr2= 588, 589,
 &end
#
#   36 LEU  HA           36 LEU  HB+         4.50    (#   2073:20  Unique         2.67, 2.84 A)
 &rst
  ixpk= 2073, nxpk= 20, iat= 586,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 588, 589,
 &end
#
#   36 LEU  MDY          36 LEU  HG          3.50    (#   2074:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 2074, nxpk= 20, iat=  -1, 591, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 593, 594, 595, 597, 598, 599,
 &end
#
#   36 LEU  HB+          36 LEU  HG          4.50    (#   2075:20  Unique         2.24, 2.48 A)
 &rst
  ixpk= 2075, nxpk= 20, iat=  -1, 591, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 588, 589,
 &end
#
#  116 PHE  HB+          36 LEU  HG          4.50    (#   2076:20  Unique         2.63, 3.37 A)
 &rst
  ixpk= 2076, nxpk= 20, iat=  -1, 591, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1803,1804,
 &end
#
#  116 PHE  HB-          36 LEU  HG          4.50    (#   2077:20  Unique         2.63, 3.37 A)
 &rst
  ixpk= 2077, nxpk= 20, iat=  -1, 591, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1803,1804,
 &end
#
#   36 LEU  HA           36 LEU  HG          4.50    (#   2078:20  Unique         2.74, 3.46 A)
 &rst
  ixpk= 2078, nxpk= 20, iat= 586, 591, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  106 TYR  HD           36 LEU  HG          5.50    (#   2080:20  Unique         2.47, 5.47 A)
 &rst
  ixpk= 2080, nxpk= 20, iat=  -1, 591, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1648,1657,
 &end
#
#  116 PHE  HD           36 LEU  HG          5.50    (#   2081:20  Unique         2.71, 4.85 A)
 &rst
  ixpk= 2081, nxpk= 20, iat=  -1, 591, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1807,1815,
 &end
#
#    0 AMB  20-2:2082    36 LEU  HG          4.50    (#   2082:20  Single Ambig)
 &rst
  ixpk= 2082, nxpk= 20, iat=  -1, 591, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 584,1767,
 &end
#
#    0 AMB  20-2:2083    36 LEU  MDX         3.50    (#   2083:20  Single Ambig)
 &rst
  ixpk= 2083, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 904, 905, 906, 908, 909, 910,1692,1693,1694,1696,
      1697,1698,
 igr2= 593, 594, 595, 597, 598, 599,
 &end
#
#   37 ALA  MB           37 ALA  HA          2.80    (#   2086:20  Unique         2.23, 2.63 A)
 &rst
  ixpk= 2086, nxpk= 20, iat=  -1, 605, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 607, 608, 609,
 &end
#
#  108 LEU  MDX          37 ALA  HA          3.50    (#   2087:20  Unique         2.00, 3.81 A)
 &rst
  ixpk= 2087, nxpk= 20, iat=  -1, 605, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1692,1693,1694,1696,1697,1698,
 &end
#
#   38 PRO  HD-          37 ALA  HA          3.50    (#   2088:20  Unique         2.27, 2.43 A)
 &rst
  ixpk= 2088, nxpk= 20, iat=  -1, 605, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 614, 615,
 &end
#
#   38 PRO  HD+          37 ALA  HA          2.80    (#   2089:20  Unique         2.27, 2.43 A)
 &rst
  ixpk= 2089, nxpk= 20, iat=  -1, 605, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 614, 615,
 &end
#
#   37 ALA  HN           37 ALA  HA          4.50    (#   2090:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 2090, nxpk= 20, iat= 603, 605, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 LEU  HA           37 ALA  MB          4.50    (#   2091:20  Unique         4.18, 5.01 A)
 &rst
  ixpk= 2091, nxpk= 20, iat= 586,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 607, 608, 609,
 &end
#
#   59 ILE  HN           37 ALA  MB          5.50    (#   2092:20  Unique         4.41, 5.21 A)
 &rst
  ixpk= 2092, nxpk= 20, iat= 879,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 607, 608, 609,
 &end
#
#    0 AMB  20-2:2093     0 AMB  20-1:2093   5.50    (#   2093:20  Double Ambig)
 &rst
  ixpk= 2093, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 628, 629,  89,  90,
 igr2= 637,  98,
 &end
#
#    0 AMB  20-2:2094     4 PRO  HD-         3.50    (#   2094:20  Single Ambig)
 &rst
  ixpk= 2094, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  65,  71,
 igr2=  56,  57,
 &end
#
#    0 AMB  20-2:2095     0 AMB  20-1:2095   2.80    (#   2095:20  Double Ambig)
 &rst
  ixpk= 2095, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.99, r4= 5.74,
 igr1= 643, 783, 739, 280,
 igr2= 645, 646, 785, 786, 741, 742,1081,1082,
 &end
#
#    7 GLU  HA            7 GLU  HB+         3.50    (#   2096:20  Unique         2.29, 2.63 A)
 &rst
  ixpk= 2096, nxpk= 20, iat= 104,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 106, 107,
 &end
#
#   42 VAL  HN           42 VAL  MGY         4.50    (#   2097:20  Unique         1.95, 3.51 A)
 &rst
  ixpk= 2097, nxpk= 20, iat= 667,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 673, 674, 675, 677, 678, 679,
 &end
#
#    0 AMB  20-2:2098    43 ALA  HA          4.50    (#   2098:20  Single Ambig)
 &rst
  ixpk= 2098, nxpk= 20, iat=  -1, 685, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 671, 656, 657,
 &end
#
#   51 MET  HG+          51 MET  HA          4.50    (#   2101:20  Unique         2.02, 2.88 A)
 &rst
  ixpk= 2101, nxpk= 20, iat=  -1, 766, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 771, 772,
 &end
#
#   51 MET  HA           51 MET  HB-         3.50    (#   2103:20  Unique         2.37, 2.75 A)
 &rst
  ixpk= 2103, nxpk= 20, iat= 766,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 768, 769,
 &end
#
#   51 MET  HA           51 MET  HB+         4.50    (#   2104:20  Unique         2.37, 2.75 A)
 &rst
  ixpk= 2104, nxpk= 20, iat= 766,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 768, 769,
 &end
#
#   55 THR  HN           54 LEU  HA          4.50    (#   2105:20  Unique         2.14, 2.84 A)
 &rst
  ixpk= 2105, nxpk= 20, iat= 821, 804, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   54 LEU  MDY          54 LEU  HB-         3.50    (#   2106:20  Unique         2.00, 3.31 A)
 &rst
  ixpk= 2106, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 811, 812, 813, 815, 816, 817,
 igr2= 806, 807,
 &end
#
#    0 AMB  20-2:2107     0 AMB  20-1:2107   4.50    (#   2107:20  Double Ambig)
 &rst
  ixpk= 2107, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 804, 280,
 igr2= 809, 282, 283,
 &end
#
#   54 LEU  HA           54 LEU  MDY         5.50    (#   2108:20  Unique         2.03, 3.91 A)
 &rst
  ixpk= 2108, nxpk= 20, iat= 804,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 811, 812, 813, 815, 816, 817,
 &end
#
#   56 ASP  HA           55 THR  HA          4.50    (#   2109:20  Unique         4.38, 4.52 A)
 &rst
  ixpk= 2109, nxpk= 20, iat= 837, 823, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   57 LYS  HN           55 THR  HA          5.50    (#   2110:20  Unique         3.75, 4.33 A)
 &rst
  ixpk= 2110, nxpk= 20, iat= 847, 823, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   55 THR  HN           55 THR  HA          5.50    (#   2111:20  Unique         2.79, 2.88 A)
 &rst
  ixpk= 2111, nxpk= 20, iat= 821, 823, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  107 LYS  HG+          56 ASP  HA          4.50    (#   2113:20  Unique         1.98, 3.20 A)
 &rst
  ixpk= 2113, nxpk= 20, iat=  -1, 837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1668,1669,
 &end
#
#  107 LYS  HA           56 ASP  HA          4.50    (#   2115:20  Unique         2.61, 3.49 A)
 &rst
  ixpk= 2115, nxpk= 20, iat=1663, 837, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   57 LYS  HN           57 LYS  HB-         4.50    (#   2116:20  Unique         2.32, 3.22 A)
 &rst
  ixpk= 2116, nxpk= 20, iat= 847,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 851, 852,
 &end
#
#   57 LYS  HN           57 LYS  HB+         4.50    (#   2117:20  Unique         2.32, 3.22 A)
 &rst
  ixpk= 2117, nxpk= 20, iat= 847,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 851, 852,
 &end
#
#   58 ALA  HN           57 LYS  HB-         3.50    (#   2118:20  Unique         2.11, 3.41 A)
 &rst
  ixpk= 2118, nxpk= 20, iat= 869,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 851, 852,
 &end
#
#   58 ALA  HN           57 LYS  HB+         3.50    (#   2119:20  Unique         2.11, 3.41 A)
 &rst
  ixpk= 2119, nxpk= 20, iat= 869,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 851, 852,
 &end
#
#   57 LYS  HE+          57 LYS  HG+         4.50    (#   2120:20  Unique         2.05, 3.11 A)
 &rst
  ixpk= 2120, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 860, 861,
 igr2= 854, 855,
 &end
#
#   57 LYS  HA           57 LYS  HG+         4.50    (#   2121:20  Unique         2.04, 3.11 A)
 &rst
  ixpk= 2121, nxpk= 20, iat= 849,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 854, 855,
 &end
#
#   57 LYS  HN           57 LYS  HG+         4.50    (#   2122:20  Unique         1.96, 3.97 A)
 &rst
  ixpk= 2122, nxpk= 20, iat= 847,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 854, 855,
 &end
#
#   79 LYS  HG+          79 LYS  HD+         2.80    (#   2123:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2123, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1211,1212,
 igr2=1214,1215,
 &end
#
#   79 LYS  HG-          79 LYS  HD+         3.50    (#   2124:20  Unique         2.22, 2.64 A)
 &rst
  ixpk= 2124, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1211,1212,
 igr2=1214,1215,
 &end
#
#   60 VAL  HN           59 ILE  HB          4.50    (#   2125:20  Unique         2.15, 2.44 A)
 &rst
  ixpk= 2125, nxpk= 20, iat= 898, 883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   59 ILE  HA           59 ILE  QD1         4.50    (#   2126:20  Unique         4.32, 5.01 A)
 &rst
  ixpk= 2126, nxpk= 20, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 892, 893, 894,
 &end
#
#  103 GLU  HG-          59 ILE  QD1         4.50    (#   2127:20  Unique         2.00, 4.89 A)
 &rst
  ixpk= 2127, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1597,1598,
 igr2= 892, 893, 894,
 &end
#
#  104 VAL  HN           59 ILE  QD1         5.50    (#   2128:20  Unique         6.06, 7.05 A)
 &rst
  ixpk= 2128, nxpk= 20, iat=1605,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 892, 893, 894,
 &end
#
#    0 AMB  20-2:2130    59 ILE  QG2         5.50    (#   2130:20  Single Ambig)
 &rst
  ixpk= 2130, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1605, 869,
 igr2= 885, 886, 887,
 &end
#
#   59 ILE  HN           59 ILE  QG2         4.50    (#   2131:20  Unique         2.99, 3.82 A)
 &rst
  ixpk= 2131, nxpk= 20, iat= 879,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 885, 886, 887,
 &end
#
#   48 ALA  MB           50 VAL  HA          4.50    (#   2132:20  Unique         3.46, 5.56 A)
 &rst
  ixpk= 2132, nxpk= 20, iat=  -1, 750, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 731, 732, 733,
 &end
#
#   39 PRO  HD+          38 PRO  HB+         4.50    (#   2133:20  Unique         2.08, 3.16 A)
 &rst
  ixpk= 2133, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 628, 629,
 igr2= 620, 621,
 &end
#
#   60 VAL  HA           60 VAL  MGX         3.50    (#   2134:20  Unique         2.25, 3.11 A)
 &rst
  ixpk= 2134, nxpk= 20, iat= 900,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   60 VAL  HN           60 VAL  MGX         5.50    (#   2135:20  Unique         2.34, 4.04 A)
 &rst
  ixpk= 2135, nxpk= 20, iat= 898,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#  101 GLY  HN           60 VAL  MGX         4.50    (#   2136:20  Unique         3.28, 4.77 A)
 &rst
  ixpk= 2136, nxpk= 20, iat=1566,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#  100 VAL  HA           60 VAL  MGY         5.50    (#   2137:20  Unique         2.00, 3.63 A)
 &rst
  ixpk= 2137, nxpk= 20, iat=1552,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 904, 905, 906, 908, 909, 910,
 &end
#
#   61 LYS  HG-          61 LYS  HB-         3.50    (#   2138:20  Unique         2.34, 2.70 A)
 &rst
  ixpk= 2138, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 921, 922,
 igr2= 918, 919,
 &end
#
#   61 LYS  HG+          61 LYS  HB-         5.50    (#   2139:20  Unique         2.34, 2.70 A)
 &rst
  ixpk= 2139, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 921, 922,
 igr2= 918, 919,
 &end
#
#   61 LYS  HG-          61 LYS  HB+         4.50    (#   2140:20  Unique         2.34, 2.70 A)
 &rst
  ixpk= 2140, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 921, 922,
 igr2= 918, 919,
 &end
#
#   37 ALA  MB           61 LYS  HB+         4.50    (#   2141:20  Unique         1.98, 3.86 A)
 &rst
  ixpk= 2141, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 607, 608, 609,
 igr2= 918, 919,
 &end
#
#    0 AMB  20-2:2142     0 AMB  20-1:2142   4.50    (#   2142:20  Double Ambig)
 &rst
  ixpk= 2142, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 965, 966, 962, 963,
 igr2= 918, 919, 918, 919,
 &end
#
#    0 AMB  20-2:2143    61 LYS  HB-         3.50    (#   2143:20  Single Ambig)
 &rst
  ixpk= 2143, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 965, 966, 962, 963,
 igr2= 918, 919,
 &end
#
#   61 LYS  HN           61 LYS  HB-         4.50    (#   2144:20  Unique         2.49, 3.14 A)
 &rst
  ixpk= 2144, nxpk= 20, iat= 914,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 918, 919,
 &end
#
#   61 LYS  HE-          61 LYS  HG+         4.50    (#   2146:20  Unique         2.19, 3.22 A)
 &rst
  ixpk= 2146, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 927, 928,
 igr2= 921, 922,
 &end
#
#   61 LYS  HN           61 LYS  HG-         5.50    (#   2147:20  Unique         2.44, 4.15 A)
 &rst
  ixpk= 2147, nxpk= 20, iat= 914,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 921, 922,
 &end
#
#   24 TRP  HZ2          79 LYS  HD+         5.50    (#   2149:20  Unique         2.05, 3.84 A)
 &rst
  ixpk= 2149, nxpk= 20, iat= 411,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1214,1215,
 &end
#
#    0 AMB  20-2:2150     0 AMB  20-1:2150   3.50    (#   2150:20  Double Ambig)
 &rst
  ixpk= 2150, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1630,1631,1632,1634,1635,1636, 885, 886, 887,
 igr2= 860, 861, 927, 928,
 &end
#
#   33 VAL  HN           32 TYR  HB-         4.50    (#   2153:20  Unique         1.80, 3.48 A)
 &rst
  ixpk= 2153, nxpk= 20, iat= 535,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 518, 519,
 &end
#
#   62 LYS  HA           62 LYS  HB+         4.50    (#   2155:20  Unique         2.37, 2.71 A)
 &rst
  ixpk= 2155, nxpk= 20, iat= 938,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 940, 941,
 &end
#
#   62 LYS  HN           62 LYS  HB+         5.50    (#   2156:20  Unique         2.54, 2.95 A)
 &rst
  ixpk= 2156, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 940, 941,
 &end
#
#   28 VAL  MGY          62 LYS  HG+         4.50    (#   2157:20  Unique         3.00, 5.06 A)
 &rst
  ixpk= 2157, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 478, 479, 480, 482, 483, 484,
 igr2= 943, 944,
 &end
#
#   36 LEU  HB+          36 LEU  MDY         4.50    (#   2158:20  Unique         2.03, 3.45 A)
 &rst
  ixpk= 2158, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 588, 589,
 igr2= 593, 594, 595, 597, 598, 599,
 &end
#
#   62 LYS  HA           62 LYS  HG+         5.50    (#   2159:20  Unique         2.47, 2.94 A)
 &rst
  ixpk= 2159, nxpk= 20, iat= 938,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 943, 944,
 &end
#
#   32 TYR  HD           62 LYS  HG+         5.50    (#   2160:20  Unique         2.34, 4.70 A)
 &rst
  ixpk= 2160, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 522, 531,
 igr2= 943, 944,
 &end
#
#   63 GLU  HB+          63 GLU  HA          3.50    (#   2161:20  Unique         2.51, 2.79 A)
 &rst
  ixpk= 2161, nxpk= 20, iat=  -1, 960, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 962, 963,
 &end
#
#    0 AMB  20-2:2162    63 GLU  HA          2.80    (#   2162:20  Single Ambig)
 &rst
  ixpk= 2162, nxpk= 20, iat=  -1, 960, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 965, 966, 962, 963,
 &end
#
#   63 GLU  HG-          63 GLU  HA          3.50    (#   2163:20  Unique         2.24, 2.74 A)
 &rst
  ixpk= 2163, nxpk= 20, iat=  -1, 960, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 965, 966,
 &end
#
#   84 TYR  HB-          84 TYR  HA          3.50    (#   2164:20  Unique         2.33, 2.61 A)
 &rst
  ixpk= 2164, nxpk= 20, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1293,1294,
 &end
#
#   63 GLU  HN           63 GLU  HA          3.50    (#   2165:20  Unique         2.88, 2.89 A)
 &rst
  ixpk= 2165, nxpk= 20, iat= 958, 960, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   64 LEU  HN           63 GLU  HA          3.50    (#   2166:20  Unique         2.44, 2.46 A)
 &rst
  ixpk= 2166, nxpk= 20, iat= 973, 960, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   85 SER  HN           84 TYR  HA          2.80    (#   2167:20  Unique         2.19, 2.61 A)
 &rst
  ixpk= 2167, nxpk= 20, iat=1310,1291, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   84 TYR  HD           84 TYR  HA          3.50    (#   2168:20  Unique         1.86, 3.72 A)
 &rst
  ixpk= 2168, nxpk= 20, iat=  -1,1291, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1297,1306,
 &end
#
#   61 LYS  HB+          63 GLU  HG-         5.50    (#   2169:20  Unique         3.53, 5.31 A)
 &rst
  ixpk= 2169, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 918, 919,
 igr2= 965, 966,
 &end
#
#    0 AMB  20-2:2170     0 AMB  20-1:2170   4.50    (#   2170:20  Double Ambig)
 &rst
  ixpk= 2170, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 918, 919, 924, 925,
 igr2= 965, 966, 965, 966,
 &end
#
#   64 LEU  HN           63 GLU  HG-         5.50    (#   2171:20  Unique         3.60, 4.28 A)
 &rst
  ixpk= 2171, nxpk= 20, iat= 973,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 965, 966,
 &end
#
#   68 VAL  HB           65 LEU  HA          3.50    (#   2172:20  Unique         1.92, 2.06 A)
 &rst
  ixpk= 2172, nxpk= 20, iat=1048, 994, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 VAL  HN           65 LEU  HA          5.50    (#   2173:20  Unique         2.95, 3.06 A)
 &rst
  ixpk= 2173, nxpk= 20, iat=1044, 994, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 LEU  HA           65 LEU  HB+         4.50    (#   2174:20  Unique         2.60, 2.83 A)
 &rst
  ixpk= 2174, nxpk= 20, iat= 994,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 996, 997,
 &end
#
#   64 LEU  HA           64 LEU  HB+         4.50    (#   2175:20  Unique         2.44, 2.81 A)
 &rst
  ixpk= 2175, nxpk= 20, iat= 975,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 977, 978,
 &end
#
#    0 AMB  20-2:2176    87 LEU  HB-         4.50    (#   2176:20  Single Ambig)
 &rst
  ixpk= 2176, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1885,1322,1323,1866,
 igr2=1339,1340,
 &end
#
#   66 TYR  HN            0 AMB  20-1:2177   4.50    (#   2177:20  Single Ambig)
 &rst
  ixpk= 2177, nxpk= 20, iat=1011,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2= 977, 978, 996, 997,
 &end
#
#    0 AMB  20-2:2178     0 AMB  20-1:2178   5.50    (#   2178:20  Double Ambig)
 &rst
  ixpk= 2178, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=  71,  65,
 igr2=  79,  80,  79,  80,
 &end
#
#    8 PRO  HA            8 PRO  HG-         5.50    (#   2179:20  Unique         3.85, 3.94 A)
 &rst
  ixpk= 2179, nxpk= 20, iat= 127,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 121, 122,
 &end
#
#   65 LEU  HA           65 LEU  MDY         4.50    (#   2181:20  Unique         2.19, 3.92 A)
 &rst
  ixpk= 2181, nxpk= 20, iat= 994,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1001,1002,1003,1005,1006,1007,
 &end
#
#   65 LEU  HN           65 LEU  MDY         5.50    (#   2183:20  Unique         4.07, 5.13 A)
 &rst
  ixpk= 2183, nxpk= 20, iat= 992,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1001,1002,1003,1005,1006,1007,
 &end
#
#   65 LEU  MDY          66 TYR  HA          5.50    (#   2184:20  Unique         3.48, 5.84 A)
 &rst
  ixpk= 2184, nxpk= 20, iat=  -1,1013, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1001,1002,1003,1005,1006,1007,
 &end
#
#   69 ALA  HN           66 TYR  HA          5.50    (#   2185:20  Unique         3.87, 4.33 A)
 &rst
  ixpk= 2185, nxpk= 20, iat=1060,1013, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   67 ASP  HN           67 ASP  HB-         3.50    (#   2186:20  Unique         2.16, 2.67 A)
 &rst
  ixpk= 2186, nxpk= 20, iat=1032,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1036,1037,
 &end
#
#   68 VAL  HN            0 AMB  20-1:2187   4.50    (#   2187:20  Single Ambig)
 &rst
  ixpk= 2187, nxpk= 20, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr2=1036,1037,1036,1037,
 &end
#
#   69 ALA  HN           68 VAL  MGX         4.50    (#   2188:20  Unique         3.11, 4.31 A)
 &rst
  ixpk= 2188, nxpk= 20, iat=1060,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#   69 ALA  HN           68 VAL  MGY         5.50    (#   2189:20  Unique         3.11, 4.31 A)
 &rst
  ixpk= 2189, nxpk= 20, iat=1060,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#   73 LYS  HB-          72 ASP  HA          4.50    (#   2190:20  Unique         4.32, 5.31 A)
 &rst
  ixpk= 2190, nxpk= 20, iat=  -1,1090, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1104,1105,
 &end
#
#   72 ASP  HB-          72 ASP  HA          3.50    (#   2191:20  Unique         2.34, 2.74 A)
 &rst
  ixpk= 2191, nxpk= 20, iat=  -1,1090, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1092,1093,
 &end
#
#   72 ASP  HN           72 ASP  HA          4.50    (#   2192:20  Unique         2.28, 2.78 A)
 &rst
  ixpk= 2192, nxpk= 20, iat=1088,1090, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   73 LYS  HN           72 ASP  HA          3.50    (#   2193:20  Unique         2.53, 2.77 A)
 &rst
  ixpk= 2193, nxpk= 20, iat=1100,1090, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   72 ASP  HN           72 ASP  HB+         4.50    (#   2194:20  Unique         2.17, 3.21 A)
 &rst
  ixpk= 2194, nxpk= 20, iat=1088,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1092,1093,
 &end
#
#   73 LYS  HG+          73 LYS  HB-         4.50    (#   2195:20  Unique         2.21, 2.68 A)
 &rst
  ixpk= 2195, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1107,1108,
 igr2=1104,1105,
 &end
#
#    0 AMB  20-2:2196    73 LYS  HB-         3.50    (#   2196:20  Single Ambig)
 &rst
  ixpk= 2196, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1110,1111,1107,1108,
 igr2=1104,1105,
 &end
#
#   73 LYS  HN           73 LYS  HB-         3.50    (#   2197:20  Unique         2.18, 3.22 A)
 &rst
  ixpk= 2197, nxpk= 20, iat=1100,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1104,1105,
 &end
#
#    0 AMB  20-2:2198   100 VAL  MGX         5.50    (#   2198:20  Single Ambig)
 &rst
  ixpk= 2198, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 902,1508,1509,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#   62 LYS  HN          100 VAL  MGX         5.50    (#   2199:20  Unique         2.55, 4.32 A)
 &rst
  ixpk= 2199, nxpk= 20, iat= 936,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#   56 ASP  HA          107 LYS  HE+         5.50    (#   2200:20  Unique         2.35, 4.82 A)
 &rst
  ixpk= 2200, nxpk= 20, iat= 837,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1674,1675,
 &end
#
#   74 TYR  HD           74 TYR  HA          4.50    (#   2201:20  Unique         3.79, 4.18 A)
 &rst
  ixpk= 2201, nxpk= 20, iat=  -1,1124, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1130,1139,
 &end
#
#   74 TYR  HD           75 GLN  HA          4.50    (#   2202:20  Unique         3.13, 5.13 A)
 &rst
  ixpk= 2202, nxpk= 20, iat=  -1,1145, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1130,1139,
 &end
#
#   76 VAL  HA           76 VAL  HB          3.50    (#   2203:20  Unique         2.35, 2.42 A)
 &rst
  ixpk= 2203, nxpk= 20, iat=1162,1164, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 ASP  HB-          76 VAL  MGY         4.50    (#   2204:20  Unique         1.95, 4.20 A)
 &rst
  ixpk= 2204, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 178, 179,
 igr2=1166,1167,1168,1170,1171,1172,
 &end
#
#   12 ASP  HA           76 VAL  MGY         5.50    (#   2205:20  Unique         3.91, 6.16 A)
 &rst
  ixpk= 2205, nxpk= 20, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1166,1167,1168,1170,1171,1172,
 &end
#
#   78 ASN  HA           78 ASN  HB-         4.50    (#   2209:20  Unique         2.30, 2.72 A)
 &rst
  ixpk= 2209, nxpk= 20, iat=1192,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1194,1195,
 &end
#
#   78 ASN  HA           78 ASN  HB+         4.50    (#   2210:20  Unique         2.30, 2.72 A)
 &rst
  ixpk= 2210, nxpk= 20, iat=1192,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1194,1195,
 &end
#
#    0 AMB  20-2:2211    78 ASN  HB-         3.50    (#   2211:20  Single Ambig)
 &rst
  ixpk= 2211, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1199,1200,1199,1200,
 igr2=1194,1195,
 &end
#
#   78 ASN  HD2+         78 ASN  HB+         3.50    (#   2212:20  Unique         2.11, 3.39 A)
 &rst
  ixpk= 2212, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1199,1200,
 igr2=1194,1195,
 &end
#
#   78 ASN  HN           78 ASN  HB-         4.50    (#   2213:20  Unique         2.18, 3.09 A)
 &rst
  ixpk= 2213, nxpk= 20, iat=1190,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1194,1195,
 &end
#
#   78 ASN  HN           78 ASN  HB+         4.50    (#   2214:20  Unique         2.18, 3.09 A)
 &rst
  ixpk= 2214, nxpk= 20, iat=1190,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1194,1195,
 &end
#
#   79 LYS  HA           79 LYS  HB-         4.50    (#   2215:20  Unique         2.39, 2.77 A)
 &rst
  ixpk= 2215, nxpk= 20, iat=1206,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1208,1209,
 &end
#
#   79 LYS  HE+          79 LYS  HG-         4.50    (#   2217:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 2217, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1217,1218,
 igr2=1211,1212,
 &end
#
#   79 LYS  HE+          79 LYS  HG+         4.50    (#   2218:20  Unique         2.00, 3.26 A)
 &rst
  ixpk= 2218, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1217,1218,
 igr2=1211,1212,
 &end
#
#  125 ALA  MB          115 HIS  HB+         4.50    (#   2220:20  Unique         2.83, 4.82 A)
 &rst
  ixpk= 2220, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1955,1956,1957,
 igr2=1786,1787,
 &end
#
#   80 HIS  HA           80 HIS  HB+         4.50    (#   2221:20  Unique         2.38, 2.74 A)
 &rst
  ixpk= 2221, nxpk= 20, iat=1228,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1230,1231,
 &end
#
#   84 TYR  HD           80 HIS  HB-         4.50    (#   2222:20  Unique         1.99, 4.68 A)
 &rst
  ixpk= 2222, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1297,1306,
 igr2=1230,1231,
 &end
#
#   84 TYR  HB+          81 ASP  HA          5.50    (#   2225:20  Unique         4.13, 5.56 A)
 &rst
  ixpk= 2225, nxpk= 20, iat=  -1,1245, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1293,1294,
 &end
#
#   81 ASP  HB+          81 ASP  HA          2.80    (#   2226:20  Unique         2.46, 2.78 A)
 &rst
  ixpk= 2226, nxpk= 20, iat=  -1,1245, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1247,1248,
 &end
#
#   83 LYS  HN           81 ASP  HA          4.50    (#   2229:20  Unique         3.94, 4.10 A)
 &rst
  ixpk= 2229, nxpk= 20, iat=1267,1245, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   81 ASP  HN           81 ASP  HA          4.50    (#   2230:20  Unique         2.87, 2.89 A)
 &rst
  ixpk= 2230, nxpk= 20, iat=1243,1245, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:2231    81 ASP  HA          4.50    (#   2231:20  Single Ambig)
 &rst
  ixpk= 2231, nxpk= 20, iat=  -1,1245, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1255,1310,
 &end
#
#   84 TYR  HN           81 ASP  HA          4.50    (#   2232:20  Unique         3.55, 3.66 A)
 &rst
  ixpk= 2232, nxpk= 20, iat=1289,1245, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 TYR  HN          122 TYR  HB-         5.50    (#   2233:20  Unique         2.31, 2.92 A)
 &rst
  ixpk= 2233, nxpk= 20, iat=1907,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1911,1912,
 &end
#
#   82 ASP  HN           82 ASP  HA          3.50    (#   2234:20  Unique         2.93, 2.94 A)
 &rst
  ixpk= 2234, nxpk= 20, iat=1255,1257, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 LYS  HN           82 ASP  HB+         4.50    (#   2235:20  Unique         2.83, 3.40 A)
 &rst
  ixpk= 2235, nxpk= 20, iat=1267,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1259,1260,
 &end
#
#   83 LYS  HG+          83 LYS  HE+         4.50    (#   2236:20  Unique         2.03, 3.10 A)
 &rst
  ixpk= 2236, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1274,1275,
 igr2=1280,1281,
 &end
#
#   84 TYR  HN           84 TYR  HB+         4.50    (#   2237:20  Unique         2.33, 3.44 A)
 &rst
  ixpk= 2237, nxpk= 20, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1293,1294,
 &end
#
#   84 TYR  HN           84 TYR  HB-         4.50    (#   2238:20  Unique         2.33, 3.44 A)
 &rst
  ixpk= 2238, nxpk= 20, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1293,1294,
 &end
#
#   85 SER  HB+          85 SER  HA          2.80    (#   2239:20  Unique         2.31, 2.63 A)
 &rst
  ixpk= 2239, nxpk= 20, iat=  -1,1312, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1314,1315,
 &end
#
#   38 PRO  HB+          38 PRO  HD-         5.50    (#   2242:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 2242, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 620, 621,
 igr2= 614, 615,
 &end
#
#   92 ILE  HB           89 CYS  HB+         5.50    (#   2243:20  Unique         4.45, 4.87 A)
 &rst
  ixpk= 2243, nxpk= 20, iat=1416,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1372,1373,
 &end
#
#   90 SER  HA           89 CYS  HB+         5.50    (#   2244:20  Unique         3.98, 4.65 A)
 &rst
  ixpk= 2244, nxpk= 20, iat=1381,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1372,1373,
 &end
#
#   90 SER  HA           90 SER  HB-         3.50    (#   2248:20  Unique         2.42, 2.80 A)
 &rst
  ixpk= 2248, nxpk= 20, iat=1381,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1383,1384,
 &end
#
#   89 CYS  HB+          93 ILE  QD1         5.50    (#   2250:20  Unique         2.12, 4.48 A)
 &rst
  ixpk= 2250, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1372,1373,
 igr2=1444,1445,1446,
 &end
#
#   93 ILE  HN           93 ILE  QD1         4.50    (#   2252:20  Unique         2.32, 3.91 A)
 &rst
  ixpk= 2252, nxpk= 20, iat=1431,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1444,1445,1446,
 &end
#
#   28 VAL  HB           93 ILE  QD1         4.50    (#   2253:20  Unique         1.95, 4.14 A)
 &rst
  ixpk= 2253, nxpk= 20, iat= 476,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1444,1445,1446,
 &end
#
#   28 VAL  HA           93 ILE  QG2         4.50    (#   2254:20  Unique         3.13, 4.50 A)
 &rst
  ixpk= 2254, nxpk= 20, iat= 474,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1437,1438,1439,
 &end
#
#   99 LEU  HN           97 GLU  HA          5.50    (#   2255:20  Unique         3.84, 4.05 A)
 &rst
  ixpk= 2255, nxpk= 20, iat=1531,1503, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2256     0 AMB  20-1:2256   4.50    (#   2256:20  Double Ambig)
 &rst
  ixpk= 2256, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 478, 479, 480, 482, 483, 484, 982, 983, 984, 986,
       987, 988,
 igr2=1508,1509, 962, 963,
 &end
#
#   98 GLU  HA           98 GLU  HG+         4.50    (#   2257:20  Unique         2.34, 2.97 A)
 &rst
  ixpk= 2257, nxpk= 20, iat=1518,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1523,1524,
 &end
#
#   97 GLU  HA           97 GLU  HG-         3.50    (#   2258:20  Unique         2.46, 3.39 A)
 &rst
  ixpk= 2258, nxpk= 20, iat=1503,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1508,1509,
 &end
#
#   98 GLU  HB+          98 GLU  HG-         3.50    (#   2259:20  Unique         2.30, 2.68 A)
 &rst
  ixpk= 2259, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1520,1521,
 igr2=1523,1524,
 &end
#
#   60 VAL  MGX          99 LEU  HB-         3.50    (#   2260:20  Unique         2.65, 4.86 A)
 &rst
  ixpk= 2260, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 904, 905, 906, 908, 909, 910,
 igr2=1535,1536,
 &end
#
#   60 VAL  MGY          99 LEU  HB+         4.50    (#   2261:20  Unique         2.65, 4.86 A)
 &rst
  ixpk= 2261, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 904, 905, 906, 908, 909, 910,
 igr2=1535,1536,
 &end
#
#   99 LEU  HG           99 LEU  HB+         4.50    (#   2262:20  Unique         2.36, 2.73 A)
 &rst
  ixpk= 2262, nxpk= 20, iat=1538,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1535,1536,
 &end
#
#  100 VAL  HN           99 LEU  HB+         5.50    (#   2263:20  Unique         2.44, 3.33 A)
 &rst
  ixpk= 2263, nxpk= 20, iat=1550,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1535,1536,
 &end
#
#    0 AMB  20-2:2265   100 VAL  MGY         4.50    (#   2265:20  Single Ambig)
 &rst
  ixpk= 2265, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1= 902,1508,1509,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#  101 GLY  HA-         100 VAL  MGY         4.50    (#   2266:20  Unique         3.12, 4.93 A)
 &rst
  ixpk= 2266, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1568,1569,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#  100 VAL  HN          100 VAL  MGY         4.50    (#   2267:20  Unique         2.02, 3.86 A)
 &rst
  ixpk= 2267, nxpk= 20, iat=1550,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1556,1557,1558,1560,1561,1562,
 &end
#
#  102 GLN  HE2+        102 GLN  HG+         4.50    (#   2268:20  Unique         2.12, 3.22 A)
 &rst
  ixpk= 2268, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1585,1586,
 igr2=1580,1581,
 &end
#
#   59 ILE  QG2         103 GLU  HA          3.50    (#   2269:20  Unique         1.95, 3.26 A)
 &rst
  ixpk= 2269, nxpk= 20, iat=  -1,1592, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 885, 886, 887,
 &end
#
#  103 GLU  HB+         103 GLU  HA          3.50    (#   2270:20  Unique         2.33, 2.71 A)
 &rst
  ixpk= 2270, nxpk= 20, iat=  -1,1592, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1594,1595,
 &end
#
#  103 GLU  HG+         103 GLU  HA          3.50    (#   2271:20  Unique         2.62, 2.97 A)
 &rst
  ixpk= 2271, nxpk= 20, iat=  -1,1592, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1597,1598,
 &end
#
#  103 GLU  HG-         103 GLU  HA          3.50    (#   2272:20  Unique         2.62, 2.97 A)
 &rst
  ixpk= 2272, nxpk= 20, iat=  -1,1592, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1597,1598,
 &end
#
#  103 GLU  HN          103 GLU  HA          3.50    (#   2273:20  Unique         2.94, 2.94 A)
 &rst
  ixpk= 2273, nxpk= 20, iat=1590,1592, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  104 VAL  HN          103 GLU  HA          2.80    (#   2274:20  Unique         2.14, 2.15 A)
 &rst
  ixpk= 2274, nxpk= 20, iat=1605,1592, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 VAL  HN          103 GLU  HA          4.50    (#   2275:20  Unique         3.13, 3.55 A)
 &rst
  ixpk= 2275, nxpk= 20, iat= 898,1592, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  108 LEU  HN          107 LYS  HB+         3.50    (#   2276:20  Unique         1.89, 2.98 A)
 &rst
  ixpk= 2276, nxpk= 20, iat=1683,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1665,1666,
 &end
#
#  106 TYR  HD          104 VAL  MGY         4.50    (#   2278:20  Unique         2.04, 4.90 A)
 &rst
  ixpk= 2278, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1648,1657,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#    0 AMB  20-2:2279   107 LYS  HA          4.50    (#   2279:20  Single Ambig)
 &rst
  ixpk= 2279, nxpk= 20, iat=  -1,1663, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 839, 840, 839, 840,
 &end
#
#  107 LYS  HN          107 LYS  HG+         5.50    (#   2280:20  Unique         2.24, 3.82 A)
 &rst
  ixpk= 2280, nxpk= 20, iat=1661,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1668,1669,
 &end
#
#  107 LYS  HN          107 LYS  HG-         5.50    (#   2281:20  Unique         2.24, 3.82 A)
 &rst
  ixpk= 2281, nxpk= 20, iat=1661,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1668,1669,
 &end
#
#  109 THR  MG2         109 THR  HB          3.50    (#   2282:20  Unique         2.23, 2.64 A)
 &rst
  ixpk= 2282, nxpk= 20, iat=  -1,1706, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1708,1709,1710,
 &end
#
#  112 ASN  HN          112 ASN  HB-         4.50    (#   2284:20  Unique         2.07, 2.87 A)
 &rst
  ixpk= 2284, nxpk= 20, iat=1742,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1746,1747,
 &end
#
#  116 PHE  HA          116 PHE  HB+         4.50    (#   2285:20  Unique         2.24, 2.64 A)
 &rst
  ixpk= 2285, nxpk= 20, iat=1801,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1803,1804,
 &end
#
#  116 PHE  HD          116 PHE  HB-         4.50    (#   2286:20  Unique         2.28, 3.04 A)
 &rst
  ixpk= 2286, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1807,1815,
 igr2=1803,1804,
 &end
#
#  118 ASN  HA          118 ASN  HB-         4.50    (#   2288:20  Unique         2.56, 2.84 A)
 &rst
  ixpk= 2288, nxpk= 20, iat=1837,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1839,1840,
 &end
#
#  119 GLU  HN          118 ASN  HB-         5.50    (#   2289:20  Unique         2.73, 3.17 A)
 &rst
  ixpk= 2289, nxpk= 20, iat=1849,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1839,1840,
 &end
#
#  118 ASN  HN          118 ASN  HB-         3.50    (#   2290:20  Unique         2.08, 2.78 A)
 &rst
  ixpk= 2290, nxpk= 20, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1839,1840,
 &end
#
#  121 ARG  HD-         121 ARG  HB+         5.50    (#   2292:20  Unique         1.94, 3.16 A)
 &rst
  ixpk= 2292, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1893,1894,
 igr2=1887,1888,
 &end
#
#   13 LEU  HG          121 ARG  HD-         4.50    (#   2294:20  Unique         1.96, 3.59 A)
 &rst
  ixpk= 2294, nxpk= 20, iat= 193,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1893,1894,
 &end
#
#  121 ARG  HB+         121 ARG  HD-         4.50    (#   2295:20  Unique         1.94, 3.16 A)
 &rst
  ixpk= 2295, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1887,1888,
 igr2=1893,1894,
 &end
#
#  121 ARG  HN          121 ARG  HD-         4.50    (#   2297:20  Unique         2.14, 4.77 A)
 &rst
  ixpk= 2297, nxpk= 20, iat=1883,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1893,1894,
 &end
#
#    0 AMB  20-2:2298   122 TYR  HA          3.50    (#   2298:20  Single Ambig)
 &rst
  ixpk= 2298, nxpk= 20, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1342,1339,1340,
 &end
#
#  122 TYR  HB+         122 TYR  HA          4.50    (#   2300:20  Unique         2.23, 2.71 A)
 &rst
  ixpk= 2300, nxpk= 20, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1911,1912,
 &end
#
#  122 TYR  HB-         122 TYR  HA          3.50    (#   2301:20  Unique         2.23, 2.71 A)
 &rst
  ixpk= 2301, nxpk= 20, iat=  -1,1909, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1911,1912,
 &end
#
#  122 TYR  HN          122 TYR  HA          4.50    (#   2303:20  Unique         2.91, 2.94 A)
 &rst
  ixpk= 2303, nxpk= 20, iat=1907,1909, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 TYR  HN          122 TYR  HB+         4.50    (#   2304:20  Unique         2.31, 2.92 A)
 &rst
  ixpk= 2304, nxpk= 20, iat=1907,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1911,1912,
 &end
#
#  125 ALA  HN          124 VAL  MGX         4.50    (#   2305:20  Unique         2.28, 4.33 A)
 &rst
  ixpk= 2305, nxpk= 20, iat=1951,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1941,1942,1943,1945,1946,1947,
 &end
#
#    9 LYS  HN            9 LYS  HB+         4.50    (#   2306:20  Unique         2.12, 2.94 A)
 &rst
  ixpk= 2306, nxpk= 20, iat= 131,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 135, 136,
 &end
#
#   14 ILE  HN           14 ILE  HG1-        4.50    (#   2307:20  Unique         2.12, 3.42 A)
 &rst
  ixpk= 2307, nxpk= 20, iat= 205,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 215, 216,
 &end
#
#   91 LYS  HN           91 LYS  HG-         5.50    (#   2308:20  Unique         2.40, 3.24 A)
 &rst
  ixpk= 2308, nxpk= 20, iat=1390,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1397,1398,
 &end
#
#   64 LEU  HA           64 LEU  HB-         4.50    (#   2309:20  Unique         2.44, 2.81 A)
 &rst
  ixpk= 2309, nxpk= 20, iat= 975,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 977, 978,
 &end
#
#  101 GLY  HA-         100 VAL  HA          4.50    (#   2310:20  Unique         4.42, 4.49 A)
 &rst
  ixpk= 2310, nxpk= 20, iat=  -1,1552, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1568,1569,
 &end
#
#   90 SER  HA           90 SER  HB+         2.80    (#   2313:20  Unique         2.42, 2.80 A)
 &rst
  ixpk= 2313, nxpk= 20, iat=1381,  -1, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr2=1383,1384,
 &end
#
#   39 PRO  HB-          39 PRO  HG-         3.50    (#   2315:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 2315, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 634, 635,
 igr2= 631, 632,
 &end
#
#    5 ILE  QG2           5 ILE  HA          3.50    (#   2316:20  Unique         2.02, 2.89 A)
 &rst
  ixpk= 2316, nxpk= 20, iat=  -1,  71, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=  75,  76,  77,
 &end
#
#   89 CYS  HB+          92 ILE  HB          5.50    (#   2317:20  Unique         4.45, 4.87 A)
 &rst
  ixpk= 2317, nxpk= 20, iat=  -1,1416, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1372,1373,
 &end
#
#   60 VAL  HN           59 ILE  QD1         4.50    (#   2318:20  Unique         3.93, 4.81 A)
 &rst
  ixpk= 2318, nxpk= 20, iat= 898,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 892, 893, 894,
 &end
#
#   61 LYS  HE+          59 ILE  QD1         5.50    (#   2319:20  Unique         1.99, 4.49 A)
 &rst
  ixpk= 2319, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 927, 928,
 igr2= 892, 893, 894,
 &end
#
#   12 ASP  HB+          76 VAL  HA          4.50    (#   2320:20  Unique         4.71, 5.25 A)
 &rst
  ixpk= 2320, nxpk= 20, iat=  -1,1162, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 178, 179,
 &end
#
#    0 AMB  20-2:2321     6 PRO  HD-         4.50    (#   2321:20  Single Ambig)
 &rst
  ixpk= 2321, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=  59,  60,  59,  60,
 igr2=  89,  90,
 &end
#
#   57 LYS  HG-         105 LEU  HA          4.50    (#   2322:20  Unique         1.99, 3.48 A)
 &rst
  ixpk= 2322, nxpk= 20, iat=  -1,1623, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 854, 855,
 &end
#
#    7 GLU  HA            7 GLU  HG-         4.50    (#   2323:20  Unique         2.20, 3.39 A)
 &rst
  ixpk= 2323, nxpk= 20, iat= 104,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 109, 110,
 &end
#
#    6 PRO  HD+           6 PRO  HB-         3.50    (#   2325:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 2325, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=  89,  90,
 igr2=  95,  96,
 &end
#
#    0 AMB  20-2:2329    14 ILE  QD1         4.50    (#   2329:20  Single Ambig)
 &rst
  ixpk= 2329, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 209, 996, 997,
 igr2= 218, 219, 220,
 &end
#
#   15 GLU  HA           15 GLU  HG+         4.50    (#   2330:20  Unique         2.19, 3.06 A)
 &rst
  ixpk= 2330, nxpk= 20, iat= 226,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 231, 232,
 &end
#
#   17 PHE  HN           17 PHE  HB-         4.50    (#   2331:20  Unique         2.12, 2.95 A)
 &rst
  ixpk= 2331, nxpk= 20, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 262, 263,
 &end
#
#   17 PHE  HA           17 PHE  HB-         4.50    (#   2332:20  Unique         2.34, 2.79 A)
 &rst
  ixpk= 2332, nxpk= 20, iat= 260,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 262, 263,
 &end
#
#   18 ARG  HB+          17 PHE  HB-         5.50    (#   2333:20  Unique         5.87, 6.62 A)
 &rst
  ixpk= 2333, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 282, 283,
 igr2= 262, 263,
 &end
#
#   21 TYR  HD           21 TYR  HB-         3.50    (#   2335:20  Unique         2.30, 3.06 A)
 &rst
  ixpk= 2335, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 344, 353,
 igr2= 340, 341,
 &end
#
#    0 AMB  20-2:2337     0 AMB  20-1:2337   4.50    (#   2337:20  Double Ambig)
 &rst
  ixpk= 2337, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 124, 125,1416,
 igr2= 121, 122,1422,1423,
 &end
#
#  117 VAL  HB          117 VAL  MGY         3.50    (#   2340:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 2340, nxpk= 20, iat=1823,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2=1825,1826,1827,1829,1830,1831,
 &end
#
#    0 AMB  20-2:2341     0 AMB  20-1:2341   3.50    (#   2341:20  Double Ambig)
 &rst
  ixpk= 2341, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 436,1690,
 igr2=1825,1826,1827,1829,1830,1831, 873, 874, 875,1692,
      1693,1694,1696,1697,1698,
 &end
#
#   14 ILE  HB           25 ALA  MB          3.50    (#   2342:20  Unique         1.99, 3.31 A)
 &rst
  ixpk= 2342, nxpk= 20, iat= 209,  -1, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr2= 426, 427, 428,
 &end
#
#   36 LEU  HG            0 AMB  20-1:2343   3.50    (#   2343:20  Single Ambig)
 &rst
  ixpk= 2343, nxpk= 20, iat= 591,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1692,1693,1694,1696,1697,1698, 873, 874, 875,
 &end
#
#    0 AMB  20-2:2344   117 VAL  MGY         5.50    (#   2344:20  Single Ambig)
 &rst
  ixpk= 2344, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1803,1804,1893,1894,
 igr2=1825,1826,1827,1829,1830,1831,
 &end
#
#   32 TYR  HB-          32 TYR  HA          4.50    (#   2345:20  Unique         2.27, 2.77 A)
 &rst
  ixpk= 2345, nxpk= 20, iat=  -1, 516, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 518, 519,
 &end
#
#   34 VAL  MGX          35 HIS  HA          4.50    (#   2346:20  Unique         3.37, 5.70 A)
 &rst
  ixpk= 2346, nxpk= 20, iat=  -1, 569, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 557, 558, 559, 561, 562, 563,
 &end
#
#    0 AMB  20-2:2348    36 LEU  MDX         4.50    (#   2348:20  Single Ambig)
 &rst
  ixpk= 2348, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.75, r4= 9.50,
 igr1= 873, 874, 875,1692,1693,1694,1696,1697,1698,
 igr2= 593, 594, 595, 597, 598, 599,
 &end
#
#    7 GLU  HN            6 PRO  HB+         5.50    (#   2349:20  Unique         2.00, 3.58 A)
 &rst
  ixpk= 2349, nxpk= 20, iat= 102,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=  95,  96,
 &end
#
#   39 PRO  HD-          39 PRO  HB+         4.50    (#   2351:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 2351, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 628, 629,
 igr2= 634, 635,
 &end
#
#    0 AMB  20-2:2352     0 AMB  20-1:2352   3.50    (#   2352:20  Double Ambig)
 &rst
  ixpk= 2352, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1337, 637,
 igr2=1394,1395, 634, 635,
 &end
#
#    0 AMB  20-2:2354     0 AMB  20-1:2354   3.50    (#   2354:20  Double Ambig)
 &rst
  ixpk= 2354, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 656, 657, 656, 657,
 igr2= 659, 660, 659, 660,
 &end
#
#    0 AMB  20-2:2355     0 AMB  20-1:2355   4.50    (#   2355:20  Double Ambig)
 &rst
  ixpk= 2355, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 656, 657, 656, 657,
 igr2= 659, 660, 659, 660,
 &end
#
#    0 AMB  20-2:2356     0 AMB  20-1:2356   3.50    (#   2356:20  Double Ambig)
 &rst
  ixpk= 2356, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 669, 750,
 igr2= 673, 674, 675, 677, 678, 679, 754, 755, 756, 758,
       759, 760,
 &end
#
#    0 AMB  20-2:2357     0 AMB  20-1:2357   4.50    (#   2357:20  Double Ambig)
 &rst
  ixpk= 2357, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 702, 685,
 igr2= 695, 696, 695, 696, 712, 713,
 &end
#
#    0 AMB  20-2:2358     0 AMB  20-1:2358   2.80    (#   2358:20  Double Ambig)
 &rst
  ixpk= 2358, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.53, r4= 5.28,
 igr1= 643, 783, 739,
 igr2= 645, 646, 785, 786, 741, 742,
 &end
#
#   54 LEU  HG           54 LEU  HA          3.50    (#   2360:20  Unique         2.19, 3.10 A)
 &rst
  ixpk= 2360, nxpk= 20, iat= 809, 804, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   12 ASP  HB-          14 ILE  HG1-        4.50    (#   2362:20  Unique         4.54, 5.65 A)
 &rst
  ixpk= 2362, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 178, 179,
 igr2= 215, 216,
 &end
#
#    0 AMB  20-2:2363    14 ILE  HG1-        4.50    (#   2363:20  Single Ambig)
 &rst
  ixpk= 2363, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 190, 191,1126,1127,
 igr2= 215, 216,
 &end
#
#   57 LYS  HN           55 THR  MG2         5.50    (#   2364:20  Unique         1.95, 5.27 A)
 &rst
  ixpk= 2364, nxpk= 20, iat= 847,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 827, 828, 829,
 &end
#
#   63 GLU  HN           68 VAL  MGX         5.50    (#   2367:20  Unique         2.32, 4.43 A)
 &rst
  ixpk= 2367, nxpk= 20, iat= 958,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#    0 AMB  20-2:2368   117 VAL  HA          3.50    (#   2368:20  Single Ambig)
 &rst
  ixpk= 2368, nxpk= 20, iat=  -1,1821, r1= 0.00, r2= 1.80, r3= 4.84, r4= 5.59,
 igr1=1871,1825,1826,1827,1829,1830,1831,
 &end
#
#  117 VAL  HN          116 PHE  HA          4.50    (#   2369:20  Unique         3.55, 3.57 A)
 &rst
  ixpk= 2369, nxpk= 20, iat=1819,1801, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   94 GLN  HN           90 SER  HA          5.50    (#   2371:20  Unique         3.41, 3.89 A)
 &rst
  ixpk= 2371, nxpk= 20, iat=1450,1381, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   93 ILE  HN           90 SER  HA          5.50    (#   2372:20  Unique         3.60, 3.85 A)
 &rst
  ixpk= 2372, nxpk= 20, iat=1431,1381, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   67 ASP  HN           66 TYR  HA          4.50    (#   2373:20  Unique         3.43, 3.52 A)
 &rst
  ixpk= 2373, nxpk= 20, iat=1032,1013, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   96 ALA  MB           97 GLU  HA          4.50    (#   2374:20  Unique         3.85, 4.80 A)
 &rst
  ixpk= 2374, nxpk= 20, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1495,1496,1497,
 &end
#
#   34 VAL  MGY          97 GLU  HA          4.50    (#   2375:20  Unique         3.80, 5.46 A)
 &rst
  ixpk= 2375, nxpk= 20, iat=  -1,1503, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 557, 558, 559, 561, 562, 563,
 &end
#
#  113 CYS  HB-         114 GLU  HA          5.50    (#   2376:20  Unique         3.90, 4.35 A)
 &rst
  ixpk= 2376, nxpk= 20, iat=  -1,1769, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1760,1761,
 &end
#
#   94 GLN  HG+          94 GLN  HA          3.50    (#   2377:20  Unique         2.32, 3.29 A)
 &rst
  ixpk= 2377, nxpk= 20, iat=  -1,1452, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1457,1458,
 &end
#
#  108 LEU  HA          109 THR  HA          5.50    (#   2378:20  Unique         4.36, 4.48 A)
 &rst
  ixpk= 2378, nxpk= 20, iat=1685,1704, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  121 ARG  HN          120 LEU  HA          5.50    (#   2380:20  Unique         3.51, 3.54 A)
 &rst
  ixpk= 2380, nxpk= 20, iat=1883,1866, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   13 LEU  MDY         118 ASN  HA          4.50    (#   2381:20  Unique         2.54, 4.93 A)
 &rst
  ixpk= 2381, nxpk= 20, iat=  -1,1837, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 195, 196, 197, 199, 200, 201,
 &end
#
#  121 ARG  HB-         118 ASN  HA          4.50    (#   2382:20  Unique         2.37, 3.51 A)
 &rst
  ixpk= 2382, nxpk= 20, iat=  -1,1837, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1887,1888,
 &end
#
#   42 VAL  MGY          41 GLU  HA          4.50    (#   2384:20  Unique         3.17, 5.07 A)
 &rst
  ixpk= 2384, nxpk= 20, iat=  -1, 654, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 673, 674, 675, 677, 678, 679,
 &end
#
#  118 ASN  HD2+        118 ASN  HA          3.50    (#   2385:20  Unique         1.80, 2.79 A)
 &rst
  ixpk= 2385, nxpk= 20, iat=  -1,1837, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1844,1845,
 &end
#
#  102 GLN  HB+          99 LEU  HA          4.50    (#   2386:20  Unique         3.70, 4.70 A)
 &rst
  ixpk= 2386, nxpk= 20, iat=  -1,1533, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1577,1578,
 &end
#
#   56 ASP  HA          107 LYS  HA          4.50    (#   2387:20  Unique)
 &rst
  ixpk= 2387, nxpk= 20, iat= 837,1663, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   81 ASP  HN           80 HIS  HA          4.50    (#   2388:20  Unique         2.54, 2.71 A)
 &rst
  ixpk= 2388, nxpk= 20, iat=1243,1228, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:2389    64 LEU  HA          5.50    (#   2389:20  Single Ambig)
 &rst
  ixpk= 2389, nxpk= 20, iat=  -1, 975, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
      1055,1056,
 &end
#
#  105 LEU  MDX         105 LEU  HA          4.50    (#   2390:20  Unique         2.00, 3.17 A)
 &rst
  ixpk= 2390, nxpk= 20, iat=  -1,1623, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1630,1631,1632,1634,1635,1636,
 &end
#
#    0 AMB  20-2:2391    87 LEU  HA          5.50    (#   2391:20  Single Ambig)
 &rst
  ixpk= 2391, nxpk= 20, iat=  -1,1337, r1= 0.00, r2= 1.80, r3= 7.61, r4= 8.36,
 igr1=1322,1323,1885,1383,1384,1383,1384,
 &end
#
#   87 LEU  MDY          87 LEU  HA          5.50    (#   2392:20  Unique         1.96, 3.86 A)
 &rst
  ixpk= 2392, nxpk= 20, iat=  -1,1337, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1344,1345,1346,1348,1349,1350,
 &end
#
#    0 AMB  20-2:2393   125 ALA  HA          4.50    (#   2393:20  Single Ambig)
 &rst
  ixpk= 2393, nxpk= 20, iat=  -1,1953, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1856,1857,1853,1854,
 &end
#
#    8 PRO  HB-           8 PRO  HD+         5.50    (#   2395:20  Unique         2.98, 3.70 A)
 &rst
  ixpk= 2395, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 124, 125,
 igr2= 118, 119,
 &end
#
#    8 PRO  HG-           8 PRO  HD-         4.50    (#   2396:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 2396, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 121, 122,
 igr2= 118, 119,
 &end
#
#   87 LEU  HG           86 PRO  HD+         4.50    (#   2397:20  Unique         2.89, 4.61 A)
 &rst
  ixpk= 2397, nxpk= 20, iat=1342,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1322,1323,
 &end
#
#   87 LEU  MDY          86 PRO  HD-         5.50    (#   2398:20  Unique         3.01, 6.53 A)
 &rst
  ixpk= 2398, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1344,1345,1346,1348,1349,1350,
 igr2=1322,1323,
 &end
#
#   58 ALA  HA           39 PRO  HD+         4.50    (#   2399:20  Unique         1.98, 3.01 A)
 &rst
  ixpk= 2399, nxpk= 20, iat= 871,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 628, 629,
 &end
#
#   18 ARG  HG+          18 ARG  HD-         4.50    (#   2404:20  Unique         2.22, 2.70 A)
 &rst
  ixpk= 2404, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 285, 286,
 igr2= 288, 289,
 &end
#
#  121 ARG  HB+         121 ARG  HD+         4.50    (#   2405:20  Unique         1.94, 3.16 A)
 &rst
  ixpk= 2405, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1887,1888,
 igr2=1893,1894,
 &end
#
#   87 LEU  MDX          91 LYS  HE+         5.50    (#   2407:20  Unique         4.20, 6.62 A)
 &rst
  ixpk= 2407, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1344,1345,1346,1348,1349,1350,
 igr2=1403,1404,
 &end
#
#    0 AMB  20-2:2408     0 AMB  20-1:2408   3.50    (#   2408:20  Double Ambig)
 &rst
  ixpk= 2408, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.67, r4= 7.42,
 igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
      1171,1172,
 igr2= 178, 179, 178, 179,
 &end
#
#   61 LYS  HG+          61 LYS  HE-         4.50    (#   2409:20  Unique         2.19, 3.22 A)
 &rst
  ixpk= 2409, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 921, 922,
 igr2= 927, 928,
 &end
#
#   77 ASN  HD2+         79 LYS  HE+         4.50    (#   2410:20  Unique         1.97, 5.11 A)
 &rst
  ixpk= 2410, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1185,1186,
 igr2=1217,1218,
 &end
#
#   83 LYS  HG-          83 LYS  HE-         4.50    (#   2413:20  Unique         2.03, 3.10 A)
 &rst
  ixpk= 2413, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1274,1275,
 igr2=1280,1281,
 &end
#
#   83 LYS  HG+          83 LYS  HE-         4.50    (#   2414:20  Unique         2.03, 3.10 A)
 &rst
  ixpk= 2414, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1274,1275,
 igr2=1280,1281,
 &end
#
#   65 LEU  HG           65 LEU  HB-         4.50    (#   2417:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 2417, nxpk= 20, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 996, 997,
 &end
#
#    0 AMB  20-2:2420     0 AMB  20-1:2420   5.50    (#   2420:20  Double Ambig)
 &rst
  ixpk= 2420, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1414,1322,1323,
 igr2=1339,1340,1339,1340,
 &end
#
#    0 AMB  20-2:2421     0 AMB  20-1:2421   4.50    (#   2421:20  Double Ambig)
 &rst
  ixpk= 2421, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1885,1322,1323,
 igr2=1339,1340,1339,1340,
 &end
#
#   87 LEU  HN           87 LEU  HB+         4.50    (#   2422:20  Unique         2.31, 3.19 A)
 &rst
  ixpk= 2422, nxpk= 20, iat=1335,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1339,1340,
 &end
#
#   65 LEU  MDX          65 LEU  HB+         4.50    (#   2423:20  Unique         2.05, 3.27 A)
 &rst
  ixpk= 2423, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1001,1002,1003,1005,1006,1007,
 igr2= 996, 997,
 &end
#
#   65 LEU  MDY          65 LEU  HB+         4.50    (#   2424:20  Unique         2.05, 3.27 A)
 &rst
  ixpk= 2424, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1001,1002,1003,1005,1006,1007,
 igr2= 996, 997,
 &end
#
#  106 TYR  HD          106 TYR  HB+         3.50    (#   2425:20  Unique         2.30, 3.05 A)
 &rst
  ixpk= 2425, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1648,1657,
 igr2=1644,1645,
 &end
#
#   36 LEU  HG          116 PHE  HB+         5.50    (#   2426:20  Unique         2.63, 3.37 A)
 &rst
  ixpk= 2426, nxpk= 20, iat= 591,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1803,1804,
 &end
#
#   91 LYS  HN           92 ILE  HB          5.50    (#   2427:20  Unique         4.59, 4.87 A)
 &rst
  ixpk= 2427, nxpk= 20, iat=1390,1416, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   64 LEU  HB+          66 TYR  HB+         5.50    (#   2428:20  Unique         2.47, 4.39 A)
 &rst
  ixpk= 2428, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 977, 978,
 igr2=1015,1016,
 &end
#
#   35 HIS  HD2          61 LYS  HB+         5.50    (#   2429:20  Unique         3.09, 3.76 A)
 &rst
  ixpk= 2429, nxpk= 20, iat= 580,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 918, 919,
 &end
#
#   99 LEU  HA          102 GLN  HG-         4.50    (#   2432:20  Unique         2.97, 4.74 A)
 &rst
  ixpk= 2432, nxpk= 20, iat=1533,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1580,1581,
 &end
#
#   99 LEU  HA          102 GLN  HG+         4.50    (#   2433:20  Unique         2.97, 4.74 A)
 &rst
  ixpk= 2433, nxpk= 20, iat=1533,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1580,1581,
 &end
#
#   91 LYS  HA           94 GLN  HG+         5.50    (#   2434:20  Unique         2.05, 3.14 A)
 &rst
  ixpk= 2434, nxpk= 20, iat=1392,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1457,1458,
 &end
#
#    0 AMB  20-2:2435    68 VAL  HB          5.50    (#   2435:20  Single Ambig)
 &rst
  ixpk= 2435, nxpk= 20, iat=  -1,1048, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1064,1065,1066, 426, 427, 428,
 &end
#
#   86 PRO  HA           86 PRO  HB+         3.50    (#   2440:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 2440, nxpk= 20, iat=1331,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1328,1329,
 &end
#
#   77 ASN  HN           76 VAL  HB          4.50    (#   2441:20  Unique         4.25, 4.35 A)
 &rst
  ixpk= 2441, nxpk= 20, iat=1176,1164, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 LEU  MDX          95 ARG  HB+         4.50    (#   2443:20  Unique         2.16, 5.01 A)
 &rst
  ixpk= 2443, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2=1471,1472,
 &end
#
#  120 LEU  MDX          95 ARG  HB-         4.50    (#   2444:20  Unique         2.16, 5.01 A)
 &rst
  ixpk= 2444, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2=1471,1472,
 &end
#
#    7 GLU  HG+           7 GLU  HB+         3.50    (#   2445:20  Unique         2.21, 2.67 A)
 &rst
  ixpk= 2445, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 109, 110,
 igr2= 106, 107,
 &end
#
#   95 ARG  HA           95 ARG  HB+         3.50    (#   2446:20  Unique         2.42, 2.79 A)
 &rst
  ixpk= 2446, nxpk= 20, iat=1469,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1471,1472,
 &end
#
#   95 ARG  HA           95 ARG  HB-         3.50    (#   2447:20  Unique         2.42, 2.79 A)
 &rst
  ixpk= 2447, nxpk= 20, iat=1469,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1471,1472,
 &end
#
#   95 ARG  HN           95 ARG  HB+         4.50    (#   2448:20  Unique         2.15, 2.84 A)
 &rst
  ixpk= 2448, nxpk= 20, iat=1467,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1471,1472,
 &end
#
#   95 ARG  HN           95 ARG  HB-         4.50    (#   2449:20  Unique         2.15, 2.84 A)
 &rst
  ixpk= 2449, nxpk= 20, iat=1467,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1471,1472,
 &end
#
#  111 GLU  HA          114 GLU  HB-         4.50    (#   2450:20  Unique         2.88, 3.72 A)
 &rst
  ixpk= 2450, nxpk= 20, iat=1729,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1771,1772,
 &end
#
#  114 GLU  HA          114 GLU  HB-         4.50    (#   2451:20  Unique         2.29, 2.78 A)
 &rst
  ixpk= 2451, nxpk= 20, iat=1769,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1771,1772,
 &end
#
#  114 GLU  HA          114 GLU  HB+         4.50    (#   2454:20  Unique         2.29, 2.78 A)
 &rst
  ixpk= 2454, nxpk= 20, iat=1769,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1771,1772,
 &end
#
#   94 GLN  HG-          94 GLN  HB-         3.50    (#   2455:20  Unique         2.21, 2.66 A)
 &rst
  ixpk= 2455, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1457,1458,
 igr2=1454,1455,
 &end
#
#   91 LYS  HA           94 GLN  HB-         4.50    (#   2456:20  Unique         2.19, 3.41 A)
 &rst
  ixpk= 2456, nxpk= 20, iat=1392,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1454,1455,
 &end
#
#   93 ILE  HA           93 ILE  HG1+        5.50    (#   2457:20  Unique         2.64, 2.96 A)
 &rst
  ixpk= 2457, nxpk= 20, iat=1433,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1441,1442,
 &end
#
#   86 PRO  HD+          87 LEU  HG          5.50    (#   2459:20  Unique         2.89, 4.61 A)
 &rst
  ixpk= 2459, nxpk= 20, iat=  -1,1342, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1322,1323,
 &end
#
#   39 PRO  HD+          39 PRO  HG+         4.50    (#   2460:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 2460, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 628, 629,
 igr2= 631, 632,
 &end
#
#   38 PRO  HA           39 PRO  HG+         5.50    (#   2462:20  Unique         4.46, 4.53 A)
 &rst
  ixpk= 2462, nxpk= 20, iat= 623,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 631, 632,
 &end
#
#   10 PRO  HB+          89 CYS  HB+         5.50    (#   2463:20  Unique         2.00, 4.34 A)
 &rst
  ixpk= 2463, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 160, 161,
 igr2=1372,1373,
 &end
#
#  118 ASN  HA           13 LEU  HG          5.50    (#   2465:20  Unique         4.59, 5.10 A)
 &rst
  ixpk= 2465, nxpk= 20, iat=1837, 193, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   13 LEU  HN           13 LEU  HG          5.50    (#   2466:20  Unique         2.46, 3.27 A)
 &rst
  ixpk= 2466, nxpk= 20, iat= 186, 193, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2467    13 LEU  MDX         4.50    (#   2467:20  Single Ambig)
 &rst
  ixpk= 2467, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.18, r4= 8.93,
 igr1=1893,1894, 190, 191,1194,1195,
 igr2= 195, 196, 197, 199, 200, 201,
 &end
#
#   13 LEU  HN           13 LEU  MDX         4.50    (#   2468:20  Unique         1.93, 4.31 A)
 &rst
  ixpk= 2468, nxpk= 20, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 195, 196, 197, 199, 200, 201,
 &end
#
#   91 LYS  HB+          87 LEU  MDY         4.50    (#   2469:20  Unique         1.99, 4.09 A)
 &rst
  ixpk= 2469, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1394,1395,
 igr2=1344,1345,1346,1348,1349,1350,
 &end
#
#   86 PRO  HD-          87 LEU  MDY         4.50    (#   2470:20  Unique         3.01, 6.53 A)
 &rst
  ixpk= 2470, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1322,1323,
 igr2=1344,1345,1346,1348,1349,1350,
 &end
#
#   79 LYS  HB+          79 LYS  HG+         4.50    (#   2474:20  Unique         2.24, 2.59 A)
 &rst
  ixpk= 2474, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1208,1209,
 igr2=1211,1212,
 &end
#
#   35 HIS  HA           36 LEU  MDX         5.50    (#   2475:20  Unique         3.74, 6.31 A)
 &rst
  ixpk= 2475, nxpk= 20, iat= 569,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2= 593, 594, 595, 597, 598, 599,
 &end
#
#  116 PHE  HD           36 LEU  MDX         5.50    (#   2476:20  Unique         2.02, 5.33 A)
 &rst
  ixpk= 2476, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1807,1815,
 igr2= 593, 594, 595, 597, 598, 599,
 &end
#
#    0 AMB  20-2:2477     0 AMB  20-1:2477   4.50    (#   2477:20  Double Ambig)
 &rst
  ixpk= 2477, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.79, r4= 8.54,
 igr1=1809,1813,1640,
 igr2=1825,1826,1827,1829,1830,1831, 873, 874, 875,
 &end
#
#  103 GLU  HB+         105 LEU  MDY         4.50    (#   2478:20  Unique         4.83, 6.95 A)
 &rst
  ixpk= 2478, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1594,1595,
 igr2=1630,1631,1632,1634,1635,1636,
 &end
#
#    0 AMB  20-2:2480    68 VAL  MGX         5.50    (#   2480:20  Single Ambig)
 &rst
  ixpk= 2480, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1= 535, 973, 567,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#    0 AMB  20-2:2481     0 AMB  20-1:2481   5.50    (#   2481:20  Double Ambig)
 &rst
  ixpk= 2481, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.99, r4=10.74,
 igr1=1835,1501,1491,
 igr2= 195, 196, 197, 199, 200, 201, 557, 558, 559, 561,
       562, 563,
 &end
#
#    0 AMB  20-2:2482     0 AMB  20-1:2482   5.50    (#   2482:20  Double Ambig)
 &rst
  ixpk= 2482, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.73, r4= 9.48,
 igr1=1255,1573,
 igr2=1274,1275, 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  20-2:2483     0 AMB  20-1:2483   5.50    (#   2483:20  Double Ambig)
 &rst
  ixpk= 2483, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1685,1663,
 igr2=1692,1693,1694,1696,1697,1698, 873, 874, 875,
 &end
#
#    0 AMB  20-2:2485   120 LEU  MDX         5.50    (#   2485:20  Single Ambig)
 &rst
  ixpk= 2485, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1467,1928,
 igr2=1873,1874,1875,1877,1878,1879,
 &end
#
#   67 ASP  HN           68 VAL  MGX         5.50    (#   2486:20  Unique         3.78, 5.72 A)
 &rst
  ixpk= 2486, nxpk= 20, iat=1032,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#   35 HIS  HD2          68 VAL  MGX         5.50    (#   2487:20  Unique         2.73, 4.35 A)
 &rst
  ixpk= 2487, nxpk= 20, iat= 580,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr2=1050,1051,1052,1054,1055,1056,
 &end
#
#  107 LYS  HE+         109 THR  MG2         5.50    (#   2489:20  Unique         2.09, 5.44 A)
 &rst
  ixpk= 2489, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1674,1675,
 igr2=1708,1709,1710,
 &end
#
#    0 AMB  20-2:2490     0 AMB  20-1:2490   5.50    (#   2490:20  Double Ambig)
 &rst
  ixpk= 2490, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1661,1742,
 igr2=1708,1709,1710, 873, 874, 875,
 &end
#
#   61 LYS  HN           37 ALA  MB          4.50    (#   2491:20  Unique         3.30, 4.58 A)
 &rst
  ixpk= 2491, nxpk= 20, iat= 914,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 607, 608, 609,
 &end
#
#   58 ALA  MB          104 VAL  MGX         3.50    (#   2492:20  Unique         1.98, 4.64 A)
 &rst
  ixpk= 2492, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 873, 874, 875,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#   24 TRP  HZ3         117 VAL  MGX         4.50    (#   2494:20  Unique         4.09, 6.15 A)
 &rst
  ixpk= 2494, nxpk= 20, iat= 415,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2=1825,1826,1827,1829,1830,1831,
 &end
#
#    0 AMB  20-2:2495   117 VAL  MGX         5.50    (#   2495:20  Single Ambig)
 &rst
  ixpk= 2495, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1767,1849,
 igr2=1825,1826,1827,1829,1830,1831,
 &end
#
#  118 ASN  HB-         125 ALA  MB          5.50    (#   2496:20  Unique         2.00, 3.84 A)
 &rst
  ixpk= 2496, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1839,1840,
 igr2=1955,1956,1957,
 &end
#
#  115 HIS  HB+         125 ALA  MB          4.50    (#   2497:20  Unique         2.83, 4.82 A)
 &rst
  ixpk= 2497, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1786,1787,
 igr2=1955,1956,1957,
 &end
#
#    0 AMB  20-2:2498   104 VAL  MGY         4.50    (#   2498:20  Single Ambig)
 &rst
  ixpk= 2498, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1630,1631,1632,1634,1635,1636, 588, 589,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#  105 LEU  HB+         104 VAL  MGY         5.50    (#   2499:20  Unique         4.68, 6.58 A)
 &rst
  ixpk= 2499, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1625,1626,
 igr2=1611,1612,1613,1615,1616,1617,
 &end
#
#  122 TYR  HB+         124 VAL  MGY         5.50    (#   2500:20  Unique         2.92, 7.38 A)
 &rst
  ixpk= 2500, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1911,1912,
 igr2=1941,1942,1943,1945,1946,1947,
 &end
#
#    0 AMB  20-2:2501   124 VAL  MGY         5.50    (#   2501:20  Single Ambig)
 &rst
  ixpk= 2501, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 9.34, r4=10.09,
 igr1=1911,1912,1839,1840,
 igr2=1941,1942,1943,1945,1946,1947,
 &end
#
#   34 VAL  HN           28 VAL  MGY         4.50    (#   2502:20  Unique         2.84, 4.75 A)
 &rst
  ixpk= 2502, nxpk= 20, iat= 551,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr2= 478, 479, 480, 482, 483, 484,
 &end
#
#    0 AMB  20-2:2503    96 ALA  MB          4.50    (#   2503:20  Single Ambig)
 &rst
  ixpk= 2503, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.47, r4= 8.22,
 igr1= 949, 950,1471,1472, 940, 941,1435,
 igr2=1495,1496,1497,
 &end
#
#   23 HIS  HB-          16 ILE  QG2         4.50    (#   2504:20  Unique         2.66, 3.88 A)
 &rst
  ixpk= 2504, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 385, 386,
 igr2= 245, 246, 247,
 &end
#
#   97 GLU  HN           93 ILE  QG2         5.50    (#   2505:20  Unique         3.70, 4.91 A)
 &rst
  ixpk= 2505, nxpk= 20, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1437,1438,1439,
 &end
#
#    0 AMB  20-2:2506    14 ILE  QG2         4.50    (#   2506:20  Single Ambig)
 &rst
  ixpk= 2506, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 459, 468,1132,1137,
 igr2= 211, 212, 213,
 &end
#
#   93 ILE  HN           92 ILE  QG2         4.50    (#   2507:20  Unique         2.63, 3.92 A)
 &rst
  ixpk= 2507, nxpk= 20, iat=1431,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2=1418,1419,1420,
 &end
#
#    5 ILE  HG1-          5 ILE  QG2         4.50    (#   2508:20  Unique         2.05, 3.39 A)
 &rst
  ixpk= 2508, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=  79,  80,
 igr2=  75,  76,  77,
 &end
#
#  103 GLU  HB+          59 ILE  QG2         4.50    (#   2509:20  Unique         2.09, 4.11 A)
 &rst
  ixpk= 2509, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1594,1595,
 igr2= 885, 886, 887,
 &end
#
#   13 LEU  HG           26 ILE  QD1         4.50    (#   2511:20  Unique         3.50, 5.11 A)
 &rst
  ixpk= 2511, nxpk= 20, iat= 193,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 445, 446, 447,
 &end
#
#  120 LEU  MDX          26 ILE  QG2         5.50    (#   2512:20  Unique         1.98, 5.15 A)
 &rst
  ixpk= 2512, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1873,1874,1875,1877,1878,1879,
 igr2= 438, 439, 440,
 &end
#
#   27 TYR  HN           26 ILE  QG2         5.50    (#   2513:20  Unique         3.07, 4.66 A)
 &rst
  ixpk= 2513, nxpk= 20, iat= 451,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2= 438, 439, 440,
 &end
#
#    0 AMB  20-2:2514    26 ILE  QG2         5.50    (#   2514:20  Single Ambig)
 &rst
  ixpk= 2514, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1821,1493,
 igr2= 438, 439, 440,
 &end
#
#   87 LEU  HN           92 ILE  QD1         5.50    (#   2515:20  Unique         4.40, 5.83 A)
 &rst
  ixpk= 2515, nxpk= 20, iat=1335,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr2=1425,1426,1427,
 &end
#
#   74 TYR  HB+          16 ILE  QD1         4.50    (#   2516:20  Unique         1.88, 2.94 A)
 &rst
  ixpk= 2516, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1126,1127,
 igr2= 252, 253, 254,
 &end
#
#    4 PRO  HB+           4 PRO  HA          3.50    (#   2517:20  Unique         2.30, 2.51 A)
 &rst
  ixpk= 2517, nxpk= 20, iat=  -1,  65, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  62,  63,
 &end
#
#   92 ILE  HG1-        121 ARG  HA          4.50    (#   2520:20  Unique         1.93, 2.80 A)
 &rst
  ixpk= 2520, nxpk= 20, iat=  -1,1885, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1422,1423,
 &end
#
#   92 ILE  HG1+        121 ARG  HA          4.50    (#   2521:20  Unique         1.93, 2.80 A)
 &rst
  ixpk= 2521, nxpk= 20, iat=  -1,1885, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1422,1423,
 &end
#
#   32 TYR  HB+          62 LYS  HE+         4.50    (#   2523:20  Unique         2.06, 3.46 A)
 &rst
  ixpk= 2523, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 518, 519,
 igr2= 949, 950,
 &end
#
#   32 TYR  HB+          62 LYS  HE-         4.50    (#   2524:20  Unique         2.06, 3.46 A)
 &rst
  ixpk= 2524, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 518, 519,
 igr2= 949, 950,
 &end
#
#   32 TYR  HD           62 LYS  HE+         5.50    (#   2525:20  Unique         2.57, 4.33 A)
 &rst
  ixpk= 2525, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 522, 531,
 igr2= 949, 950,
 &end
#
#   53 ALA  HN           53 ALA  MB          4.50    (#   2526:20  Unique         2.09, 3.35 A)
 &rst
  ixpk= 2526, nxpk= 20, iat= 792,  -1, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr2= 796, 797, 798,
 &end
#
#   19 PRO  HB+          19 PRO  HG-         4.50    (#   2527:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 2527, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 309, 310,
 igr2= 306, 307,
 &end
#
#   38 PRO  HD-          38 PRO  HG-         3.50    (#   2529:20  Unique         2.30, 2.58 A)
 &rst
  ixpk= 2529, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 614, 615,
 igr2= 617, 618,
 &end
#
#   71 SER  HA           71 SER  HB-         3.50    (#   2530:20  Unique         2.26, 2.76 A)
 &rst
  ixpk= 2530, nxpk= 20, iat=1079,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1081,1082,
 &end
#
#   25 ALA  HN           25 ALA  HA          4.50    (#   2532:20  Unique         2.87, 2.91 A)
 &rst
  ixpk= 2532, nxpk= 20, iat= 422, 424, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   70 GLY  HN           69 ALA  HA          5.50    (#   2533:20  Unique         3.34, 3.55 A)
 &rst
  ixpk= 2533, nxpk= 20, iat=1070,1062, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  20-2:2534    92 ILE  HA          5.50    (#   2534:20  Single Ambig)
 &rst
  ixpk= 2534, nxpk= 20, iat=  -1,1414, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1450,1883,
 &end
#
#   95 ARG  HN           94 GLN  HA          4.50    (#   2535:20  Unique         3.48, 3.55 A)
 &rst
  ixpk= 2535, nxpk= 20, iat=1467,1452, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:2536    95 ARG  HA          3.50    (#   2536:20  Single Ambig)
 &rst
  ixpk= 2536, nxpk= 20, iat=  -1,1469, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1491,1501,
 &end
#
#   99 LEU  HN           95 ARG  HA          5.50    (#   2537:20  Unique         4.01, 4.16 A)
 &rst
  ixpk= 2537, nxpk= 20, iat=1531,1469, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 VAL  HN           96 ALA  HA          5.50    (#   2538:20  Unique         3.81, 4.01 A)
 &rst
  ixpk= 2538, nxpk= 20, iat=1550,1493, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  117 VAL  HN          114 GLU  HA          5.50    (#   2540:20  Unique         3.59, 3.76 A)
 &rst
  ixpk= 2540, nxpk= 20, iat=1819,1769, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  117 VAL  HN          115 HIS  HA          5.50    (#   2541:20  Unique         4.63, 4.98 A)
 &rst
  ixpk= 2541, nxpk= 20, iat=1819,1784, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  121 ARG  HN          118 ASN  HA          5.50    (#   2543:20  Unique         3.07, 3.24 A)
 &rst
  ixpk= 2543, nxpk= 20, iat=1883,1837, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   92 ILE  HG1-         92 ILE  HB          5.50    (#   2544:20  Unique         2.32, 2.81 A)
 &rst
  ixpk= 2544, nxpk= 20, iat=  -1,1416, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1422,1423,
 &end
#
#   92 ILE  HG1+         92 ILE  HB          4.50    (#   2545:20  Unique         2.32, 2.81 A)
 &rst
  ixpk= 2545, nxpk= 20, iat=  -1,1416, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1422,1423,
 &end
#
#  115 HIS  HA          118 ASN  HB-         3.50    (#   2546:20  Unique         2.37, 3.19 A)
 &rst
  ixpk= 2546, nxpk= 20, iat=1784,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1839,1840,
 &end
#
#   18 ARG  HB+          18 ARG  HA          3.50    (#   2549:20  Unique         2.29, 2.83 A)
 &rst
  ixpk= 2549, nxpk= 20, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 282, 283,
 &end
#
#    0 AMB  20-2:2550    52 SER  HA          5.50    (#   2550:20  Single Ambig)
 &rst
  ixpk= 2550, nxpk= 20, iat=  -1, 783, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 792, 781,
 &end
#
#   15 GLU  HB+          15 GLU  HA          3.50    (#   2551:20  Unique         2.30, 2.72 A)
 &rst
  ixpk= 2551, nxpk= 20, iat=  -1, 226, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 228, 229,
 &end
#
#   93 ILE  QG2          93 ILE  HG1-        3.50    (#   2552:20  Unique         2.08, 3.42 A)
 &rst
  ixpk= 2552, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1437,1438,1439,
 igr2=1441,1442,
 &end
#
#    0 AMB  20-2:2553     0 AMB  20-1:2553   3.50    (#   2553:20  Double Ambig)
 &rst
  ixpk= 2553, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 245, 246, 247,1444,1445,1446,
 igr2= 285, 286,1441,1442,
 &end
#
#   64 LEU  HA           64 LEU  HG          4.50    (#   2554:20  Unique         2.13, 2.72 A)
 &rst
  ixpk= 2554, nxpk= 20, iat= 975, 980, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   54 LEU  HN           54 LEU  HA          4.50    (#   2555:20  Unique         2.27, 2.71 A)
 &rst
  ixpk= 2555, nxpk= 20, iat= 802, 804, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  20-2:2556    37 ALA  MB          5.50    (#   2556:20  Single Ambig)
 &rst
  ixpk= 2556, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 620, 621, 588, 589,
 igr2= 607, 608, 609,
 &end
#
#    0 AMB  20-2:2559    34 VAL  HB          3.50    (#   2559:20  Single Ambig)
 &rst
  ixpk= 2559, nxpk= 20, iat=  -1, 555, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1495,1496,1497,1825,1826,1827,1829,1830,1831,
 &end
#
#    0 AMB  20-2:2560    41 GLU  HB-         2.80    (#   2560:20  Single Ambig)
 &rst
  ixpk= 2560, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1= 659, 660, 659, 660,
 igr2= 656, 657,
 &end
#
#  108 LEU  HB+         108 LEU  HG          2.80    (#   2561:20  Unique         2.30, 2.66 A)
 &rst
  ixpk= 2561, nxpk= 20, iat=  -1,1690, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1687,1688,
 &end
#
#    0 AMB  20-2:2562   108 LEU  HG          4.50    (#   2562:20  Single Ambig)
 &rst
  ixpk= 2562, nxpk= 20, iat=  -1,1690, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1685,1663,
 &end
#
#    0 AMB  20-2:2564     0 AMB  20-1:2564   4.50    (#   2564:20  Double Ambig)
 &rst
  ixpk= 2564, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.14, r4= 7.89,
 igr1= 620, 621, 620, 621,
 igr2= 628, 629, 614, 615,
 &end
#
#   99 LEU  MDX          98 GLU  HG+         4.50    (#   2571:20  Unique         2.00, 6.51 A)
 &rst
  ixpk= 2571, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1540,1541,1542,1544,1545,1546,
 igr2=1523,1524,
 &end
#
#    8 PRO  HG-           8 PRO  HB-         4.50    (#   2573:20  Unique         2.32, 2.58 A)
 &rst
  ixpk= 2573, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 121, 122,
 igr2= 124, 125,
 &end
#
#   99 LEU  HB+          99 LEU  MDY         3.50    (#   2574:20  Unique         2.02, 3.28 A)
 &rst
  ixpk= 2574, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1535,1536,
 igr2=1540,1541,1542,1544,1545,1546,
 &end
#
#  120 LEU  HB+         120 LEU  HG          4.50    (#   2575:20  Unique         2.40, 2.73 A)
 &rst
  ixpk= 2575, nxpk= 20, iat=  -1,1871, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1868,1869,
 &end
#
#  120 LEU  HB-         120 LEU  HG          4.50    (#   2576:20  Unique         2.40, 2.73 A)
 &rst
  ixpk= 2576, nxpk= 20, iat=  -1,1871, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1868,1869,
 &end
#
#   83 LYS  HG-          83 LYS  HA          3.50    (#   2577:20  Unique         2.30, 3.43 A)
 &rst
  ixpk= 2577, nxpk= 20, iat=  -1,1269, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1274,1275,
 &end
#
#   41 GLU  HA            0 AMB  20-1:2579   5.50    (#   2579:20  Single Ambig)
 &rst
  ixpk= 2579, nxpk= 20, iat= 654,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 659, 660, 659, 660,
 &end
#
#   18 ARG  HD+          18 ARG  HA          4.50    (#   2581:20  Unique         3.49, 4.27 A)
 &rst
  ixpk= 2581, nxpk= 20, iat=  -1, 280, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 288, 289,
 &end
#
#    0 AMB  20-2:2584     0 AMB  20-1:2584   3.50    (#   2584:20  Double Ambig)
 &rst
  ixpk= 2584, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 620, 621, 631, 632,
 igr2= 628, 629, 614, 615,
 &end
#
#    0 AMB  20-2:2585     0 AMB  20-1:2585   3.50    (#   2585:20  Double Ambig)
 &rst
  ixpk= 2585, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 620, 621, 631, 632,
 igr2= 628, 629, 628, 629,
 &end
#
#    0 AMB  20-2:2586     0 AMB  20-1:2586   3.50    (#   2586:20  Double Ambig)
 &rst
  ixpk= 2586, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 631, 632,  59,  60, 634, 635,
 igr2= 628, 629,  56,  57, 628, 629,
 &end
#
#    0 AMB  20-2:2587     0 AMB  20-1:2587   3.50    (#   2587:20  Double Ambig)
 &rst
  ixpk= 2587, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1400,1401,1474,1475,
 igr2=1477,1478,1477,1478,
 &end
#
#    0 AMB  20-2:2588    95 ARG  HD-         3.50    (#   2588:20  Single Ambig)
 &rst
  ixpk= 2588, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1400,1401,1474,1475,
 igr2=1477,1478,
 &end
#
#   95 ARG  HB-          95 ARG  HD-         4.50    (#   2589:20  Unique         2.00, 3.15 A)
 &rst
  ixpk= 2589, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1471,1472,
 igr2=1477,1478,
 &end
#
#   65 LEU  HG           65 LEU  HB+         4.50    (#   2592:20  Unique         2.39, 2.75 A)
 &rst
  ixpk= 2592, nxpk= 20, iat= 999,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 996, 997,
 &end
#
#   87 LEU  HN           87 LEU  HB-         4.50    (#   2593:20  Unique         2.31, 3.19 A)
 &rst
  ixpk= 2593, nxpk= 20, iat=1335,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1339,1340,
 &end
#
#   91 LYS  HD+          91 LYS  HB+         3.50    (#   2594:20  Unique         2.13, 3.23 A)
 &rst
  ixpk= 2594, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1400,1401,
 igr2=1394,1395,
 &end
#
#  116 PHE  HN          115 HIS  HB+         3.50    (#   2596:20  Unique         2.36, 3.10 A)
 &rst
  ixpk= 2596, nxpk= 20, iat=1799,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1786,1787,
 &end
#
#    0 AMB  20-2:2598     0 AMB  20-1:2598   5.50    (#   2598:20  Double Ambig)
 &rst
  ixpk= 2598, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 169, 170, 127,
 igr2=1422,1423, 121, 122,
 &end
#
#   36 LEU  HG           36 LEU  MDY         3.50    (#   2599:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 2599, nxpk= 20, iat= 591,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr2= 593, 594, 595, 597, 598, 599,
 &end
#
#   87 LEU  HA           87 LEU  HB+         5.50    (#   2600:20  Unique         2.27, 2.72 A)
 &rst
  ixpk= 2600, nxpk= 20, iat=1337,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1339,1340,
 &end
#
#    0 AMB  20-2:2601     0 AMB  20-1:2601   2.80    (#   2601:20  Double Ambig)
 &rst
  ixpk= 2601, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.41, r4= 7.16,
 igr1=1397,1398, 436,1214,1215,1342,1339,1340,
 igr2=1344,1345,1346,1348,1349,1350, 557, 558, 559, 561,
       562, 563, 195, 196, 197, 199, 200, 201,
 &end
#
#   87 LEU  MDX          87 LEU  HG          3.50    (#   2602:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 2602, nxpk= 20, iat=  -1,1342, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1344,1345,1346,1348,1349,1350,
 &end
#
#   87 LEU  MDY          87 LEU  HG          3.50    (#   2603:20  Unique         2.22, 2.63 A)
 &rst
  ixpk= 2603, nxpk= 20, iat=  -1,1342, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1344,1345,1346,1348,1349,1350,
 &end
#
#   39 PRO  HA           59 ILE  HG1+        4.50    (#   2604:20  Unique         2.91, 4.06 A)
 &rst
  ixpk= 2604, nxpk= 20, iat= 637,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 889, 890,
 &end
#
#   59 ILE  HA           59 ILE  HG1+        5.50    (#   2605:20  Unique         2.28, 3.58 A)
 &rst
  ixpk= 2605, nxpk= 20, iat= 881,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 889, 890,
 &end
#
#    9 LYS  HG+           9 LYS  HD+         2.80    (#   2606:20  Unique         2.22, 2.68 A)
 &rst
  ixpk= 2606, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 138, 139,
 igr2= 141, 142,
 &end
#
#   68 VAL  HN           67 ASP  HB+         4.50    (#   2607:20  Unique         2.62, 3.33 A)
 &rst
  ixpk= 2607, nxpk= 20, iat=1044,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1036,1037,
 &end
#
#   67 ASP  HN           67 ASP  HB+         3.50    (#   2609:20  Unique         2.16, 2.67 A)
 &rst
  ixpk= 2609, nxpk= 20, iat=1032,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1036,1037,
 &end
#
#   67 ASP  HA            0 AMB  20-1:2610   3.50    (#   2610:20  Single Ambig)
 &rst
  ixpk= 2610, nxpk= 20, iat=1034,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1036,1037,1036,1037,
 &end
#
#   67 ASP  HA            0 AMB  20-1:2611   3.50    (#   2611:20  Single Ambig)
 &rst
  ixpk= 2611, nxpk= 20, iat=1034,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr2=1036,1037,1036,1037,
 &end
#
#   75 GLN  HA           75 GLN  HG+         4.50    (#   2612:20  Unique         3.55, 3.85 A)
 &rst
  ixpk= 2612, nxpk= 20, iat=1145,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1150,1151,
 &end
#
#   97 GLU  HN           97 GLU  HB+         3.50    (#   2613:20  Unique         2.47, 3.09 A)
 &rst
  ixpk= 2613, nxpk= 20, iat=1501,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1505,1506,
 &end
#
#  111 GLU  HA          111 GLU  HG+         3.50    (#   2614:20  Unique         2.07, 2.73 A)
 &rst
  ixpk= 2614, nxpk= 20, iat=1729,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1734,1735,
 &end
#
#   57 LYS  HE+          57 LYS  HG-         4.50    (#   2615:20  Unique         2.05, 3.11 A)
 &rst
  ixpk= 2615, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 860, 861,
 igr2= 854, 855,
 &end
#
#   57 LYS  HA            0 AMB  20-1:2616   5.50    (#   2616:20  Single Ambig)
 &rst
  ixpk= 2616, nxpk= 20, iat= 849,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr2= 854, 855, 854, 855,
 &end
#
#    0 AMB  20-2:2617     0 AMB  20-1:2617   3.50    (#   2617:20  Double Ambig)
 &rst
  ixpk= 2617, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 857, 858, 857, 858,
 igr2= 854, 855, 854, 855,
 &end
#
#   57 LYS  HB-           0 AMB  20-1:2618   4.50    (#   2618:20  Single Ambig)
 &rst
  ixpk= 2618, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 851, 852,
 igr2= 854, 855, 854, 855,
 &end
#
#   61 LYS  HB-          61 LYS  HG+         4.50    (#   2619:20  Unique         2.34, 2.70 A)
 &rst
  ixpk= 2619, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 918, 919,
 igr2= 921, 922,
 &end
#
#   61 LYS  HB-          61 LYS  HG-         5.50    (#   2620:20  Unique         2.34, 2.70 A)
 &rst
  ixpk= 2620, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 918, 919,
 igr2= 921, 922,
 &end
#
#    0 AMB  20-2:2621    62 LYS  HB-         4.50    (#   2621:20  Single Ambig)
 &rst
  ixpk= 2621, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.64, r4= 8.39,
 igr1=1556,1557,1558,1560,1561,1562, 557, 558, 559, 561,
       562, 563,
 igr2= 940, 941,
 &end
#
#    0 AMB  20-2:2622     0 AMB  20-1:2622   4.50    (#   2622:20  Double Ambig)
 &rst
  ixpk= 2622, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1=1556,1557,1558,1560,1561,1562, 557, 558, 559, 561,
       562, 563,
 igr2= 940, 941, 940, 941,
 &end
#
#    0 AMB  20-2:2623     0 AMB  20-1:2623   2.80    (#   2623:20  Double Ambig)
 &rst
  ixpk= 2623, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1668,1669, 436,
 igr2=1671,1672, 442, 443,
 &end
#
#   79 LYS  HA           79 LYS  HE+         5.50    (#   2624:20  Unique         2.05, 3.59 A)
 &rst
  ixpk= 2624, nxpk= 20, iat=1206,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1217,1218,
 &end
#
#   83 LYS  HA           83 LYS  HG+         5.50    (#   2625:20  Unique         2.30, 3.43 A)
 &rst
  ixpk= 2625, nxpk= 20, iat=1269,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1274,1275,
 &end
#
#    0 AMB  20-2:2627     0 AMB  20-1:2627   4.50    (#   2627:20  Double Ambig)
 &rst
  ixpk= 2627, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 637, 643,
 igr2= 631, 632, 631, 632,
 &end
#
#   87 LEU  HN          122 TYR  HA          4.50    (#   2629:20  Unique         3.34, 3.56 A)
 &rst
  ixpk= 2629, nxpk= 20, iat=1335,1909, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   51 MET  HB+          51 MET  HG+         3.50    (#   2631:20  Unique         2.21, 2.69 A)
 &rst
  ixpk= 2631, nxpk= 20, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 768, 769,
 igr2= 771, 772,
 &end
#
#  124 VAL  HN          125 ALA  HN          5.50    (#      1:10  Unique         2.72, 3.91 A)
 &rst
  ixpk= 1, nxpk= 10, iat=1935,1951, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 &end
#
#  119 GLU  HG+         125 ALA  HN          5.50    (#      2:10  Unique         1.93, 2.75 A)
 &rst
  ixpk= 2, nxpk= 10, iat=  -1,1951, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1856,1857,
 &end
#
#    0 AMB  10-2:3      125 ALA  HN          5.50    (#      3:10  Single Ambig)
 &rst
  ixpk= 3, nxpk= 10, iat=  -1,1951, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1853,1854,1856,1857,
 &end
#
#  124 VAL  HB          125 ALA  HN          4.50    (#      4:10  Unique         3.77, 4.23 A)
 &rst
  ixpk= 4, nxpk= 10, iat=1939,1951, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  125 ALA  MB          125 ALA  HN          2.80    (#      5:10  Unique         2.07, 2.96 A)
 &rst
  ixpk= 5, nxpk= 10, iat=  -1,1951, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1955,1956,1957,
 &end
#
#  124 VAL  MGX         125 ALA  HN          3.50    (#      6:10  Unique         2.28, 4.33 A)
 &rst
  ixpk= 6, nxpk= 10, iat=  -1,1951, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1941,1942,1943,1945,1946,1947,
 &end
#
#   62 LYS  HN           61 LYS  HN          5.50    (#      7:10  Unique         4.35, 4.42 A)
 &rst
  ixpk= 7, nxpk= 10, iat= 936, 914, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   60 VAL  HN           61 LYS  HN          4.50    (#      8:10  Unique         4.39, 4.44 A)
 &rst
  ixpk= 8, nxpk= 10, iat= 898, 914, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   61 LYS  HG+          61 LYS  HN          4.50    (#      9:10  Unique         2.44, 4.15 A)
 &rst
  ixpk= 9, nxpk= 10, iat=  -1, 914, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 921, 922,
 &end
#
#   60 VAL  MGX          61 LYS  HN          3.50    (#     10:10  Unique         2.15, 4.11 A)
 &rst
  ixpk= 10, nxpk= 10, iat=  -1, 914, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#   60 VAL  MGY          61 LYS  HN          4.50    (#     11:10  Unique         2.15, 4.11 A)
 &rst
  ixpk= 11, nxpk= 10, iat=  -1, 914, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#   36 LEU  MDX          61 LYS  HN          5.50    (#     12:10  Unique         4.44, 6.26 A)
 &rst
  ixpk= 12, nxpk= 10, iat=  -1, 914, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 593, 594, 595, 597, 598, 599,
 &end
#
#   74 TYR  HB+          15 GLU  HN          5.50    (#     13:10  Unique         3.40, 4.62 A)
 &rst
  ixpk= 13, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1126,1127,
 &end
#
#    0 AMB  10-2:14      15 GLU  HN          5.50    (#     14:10  Single Ambig)
 &rst
  ixpk= 14, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 215, 216, 426, 427, 428,
 &end
#
#   15 GLU  HG-          15 GLU  HN          4.50    (#     15:10  Unique         2.58, 4.40 A)
 &rst
  ixpk= 15, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 231, 232,
 &end
#
#   14 ILE  QG2          15 GLU  HN          2.80    (#     16:10  Unique         1.95, 3.10 A)
 &rst
  ixpk= 16, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 211, 212, 213,
 &end
#
#   75 GLN  HN           15 GLU  HN          3.50    (#     17:10  Unique         2.58, 2.96 A)
 &rst
  ixpk= 17, nxpk= 10, iat=1143, 224, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   14 ILE  HA           15 GLU  HN          2.80    (#     18:10  Unique         2.16, 2.21 A)
 &rst
  ixpk= 18, nxpk= 10, iat= 207, 224, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   15 GLU  HA           15 GLU  HN          3.50    (#     19:10  Unique         2.93, 2.95 A)
 &rst
  ixpk= 19, nxpk= 10, iat= 226, 224, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   14 ILE  HB           15 GLU  HN          5.50    (#     20:10  Unique         3.75, 3.95 A)
 &rst
  ixpk= 20, nxpk= 10, iat= 209, 224, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   15 GLU  HB-          15 GLU  HN          3.50    (#     21:10  Unique         2.41, 2.89 A)
 &rst
  ixpk= 21, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 228, 229,
 &end
#
#  114 GLU  HN           24 TRP  HE1         5.50    (#     22:10  Unique         5.09, 5.41 A)
 &rst
  ixpk= 22, nxpk= 10, iat=1767, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 TRP  HZ2          24 TRP  HE1         3.50    (#     23:10  Unique         2.82, 2.82 A)
 &rst
  ixpk= 23, nxpk= 10, iat= 411, 408, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   24 TRP  HD1          24 TRP  HE1         2.80    (#     24:10  Unique         2.57, 2.57 A)
 &rst
  ixpk= 24, nxpk= 10, iat= 406, 408, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  110 SER  HB+          24 TRP  HE1         5.50    (#     26:10  Unique         4.48, 6.16 A)
 &rst
  ixpk= 26, nxpk= 10, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1720,1721,
 &end
#
#   22 ARG  HB-          24 TRP  HE1         4.50    (#     27:10  Unique         4.19, 5.45 A)
 &rst
  ixpk= 27, nxpk= 10, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 361, 362,
 &end
#
#  114 GLU  HB-          24 TRP  HE1         5.50    (#     28:10  Unique         3.23, 4.18 A)
 &rst
  ixpk= 28, nxpk= 10, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1771,1772,
 &end
#
#   22 ARG  HG+          24 TRP  HE1         4.50    (#     29:10  Unique         4.21, 5.24 A)
 &rst
  ixpk= 29, nxpk= 10, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 364, 365,
 &end
#
#  114 GLU  HB+          24 TRP  HE1         3.50    (#     30:10  Unique         3.23, 4.18 A)
 &rst
  ixpk= 30, nxpk= 10, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1771,1772,
 &end
#
#  114 GLU  HG-          24 TRP  HE1         5.50    (#     31:10  Unique         2.69, 4.12 A)
 &rst
  ixpk= 31, nxpk= 10, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1774,1775,
 &end
#
#    0 AMB  10-2:32      61 LYS  HN          3.50    (#     32:10  Single Ambig)
 &rst
  ixpk= 32, nxpk= 10, iat=  -1, 914, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 580,1809,1813,
 &end
#
#   61 LYS  HA           61 LYS  HN          3.50    (#     33:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 33, nxpk= 10, iat= 916, 914, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 LEU  HA           61 LYS  HN          4.50    (#     34:10  Unique         3.64, 3.83 A)
 &rst
  ixpk= 34, nxpk= 10, iat= 586, 914, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   60 VAL  HA           61 LYS  HN          2.80    (#     35:10  Unique         2.15, 2.18 A)
 &rst
  ixpk= 35, nxpk= 10, iat= 900, 914, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 VAL  HB           61 LYS  HN          5.50    (#     36:10  Unique         3.83, 4.03 A)
 &rst
  ixpk= 36, nxpk= 10, iat= 902, 914, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   61 LYS  HB-          61 LYS  HN          4.50    (#     37:10  Unique         2.49, 3.14 A)
 &rst
  ixpk= 37, nxpk= 10, iat=  -1, 914, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 918, 919,
 &end
#
#   61 LYS  HB+          61 LYS  HN          3.50    (#     38:10  Unique         2.49, 3.14 A)
 &rst
  ixpk= 38, nxpk= 10, iat=  -1, 914, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 918, 919,
 &end
#
#   61 LYS  HG-          61 LYS  HN          4.50    (#     39:10  Unique         2.44, 4.15 A)
 &rst
  ixpk= 39, nxpk= 10, iat=  -1, 914, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 921, 922,
 &end
#
#    0 AMB  10-2:40      61 LYS  HN          3.50    (#     40:10  Single Ambig)
 &rst
  ixpk= 40, nxpk= 10, iat=  -1, 914, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 557, 558, 559, 561, 562, 563,1556,1557,1558,1560,
      1561,1562,
 &end
#
#    0 AMB  10-2:41      17 PHE  HN          5.50    (#     41:10  Single Ambig)
 &rst
  ixpk= 41, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 239,1100,
 &end
#
#   17 PHE  HD           17 PHE  HN          3.50    (#     42:10  Unique         2.48, 3.97 A)
 &rst
  ixpk= 42, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 266, 274,
 &end
#
#   74 TYR  HA           17 PHE  HN          4.50    (#     43:10  Unique         2.10, 2.65 A)
 &rst
  ixpk= 43, nxpk= 10, iat=1124, 258, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:44      17 PHE  HN          2.80    (#     44:10  Single Ambig)
 &rst
  ixpk= 44, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 241, 260,
 &end
#
#   17 PHE  HB+          17 PHE  HN          3.50    (#     45:10  Unique         2.12, 2.95 A)
 &rst
  ixpk= 45, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 262, 263,
 &end
#
#   74 TYR  HB+          17 PHE  HN          3.50    (#     46:10  Unique         2.66, 3.72 A)
 &rst
  ixpk= 46, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1126,1127,
 &end
#
#   73 LYS  HB+          17 PHE  HN          5.50    (#     47:10  Unique         3.12, 5.09 A)
 &rst
  ixpk= 47, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1104,1105,
 &end
#
#    0 AMB  10-2:48      17 PHE  HN          5.50    (#     48:10  Single Ambig)
 &rst
  ixpk= 48, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1107,1108, 285, 286, 249, 250,
 &end
#
#   16 ILE  QG2          17 PHE  HN          3.50    (#     49:10  Unique         2.15, 3.90 A)
 &rst
  ixpk= 49, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 245, 246, 247,
 &end
#
#   14 ILE  QG2          17 PHE  HN          5.50    (#     50:10  Unique         6.17, 6.99 A)
 &rst
  ixpk= 50, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 211, 212, 213,
 &end
#
#   13 LEU  HA           27 TYR  HN          5.50    (#     51:10  Unique         2.78, 3.05 A)
 &rst
  ixpk= 51, nxpk= 10, iat= 188, 451, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 TYR  HB+          27 TYR  HN          3.50    (#     52:10  Unique         2.25, 2.63 A)
 &rst
  ixpk= 52, nxpk= 10, iat=  -1, 451, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 455, 456,
 &end
#
#   26 ILE  HG1+         27 TYR  HN          3.50    (#     53:10  Unique         2.17, 3.04 A)
 &rst
  ixpk= 53, nxpk= 10, iat=  -1, 451, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 442, 443,
 &end
#
#   14 ILE  HG1-         27 TYR  HN          3.50    (#     54:10  Unique         2.21, 3.29 A)
 &rst
  ixpk= 54, nxpk= 10, iat=  -1, 451, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 215, 216,
 &end
#
#    0 AMB  10-2:55      27 TYR  HN          3.50    (#     55:10  Single Ambig)
 &rst
  ixpk= 55, nxpk= 10, iat=  -1, 451, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 195, 196, 197, 199, 200, 201, 541, 542, 543, 545,
       546, 547,
 &end
#
#    0 AMB  10-2:56      27 TYR  HN          4.50    (#     56:10  Single Ambig)
 &rst
  ixpk= 56, nxpk= 10, iat=  -1, 451, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 218, 219, 220, 478, 479, 480, 482, 483, 484,
 &end
#
#   12 ASP  HN           27 TYR  HN          5.50    (#     57:10  Unique         3.35, 3.52 A)
 &rst
  ixpk= 57, nxpk= 10, iat= 174, 451, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 TYR  HD           27 TYR  HN          5.50    (#     58:10  Unique         4.37, 4.76 A)
 &rst
  ixpk= 58, nxpk= 10, iat=  -1, 451, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 459, 468,
 &end
#
#   26 ILE  HA           27 TYR  HN          2.80    (#     59:10  Unique         2.14, 2.18 A)
 &rst
  ixpk= 59, nxpk= 10, iat= 434, 451, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   27 TYR  HA           27 TYR  HN          3.50    (#     60:10  Unique         2.81, 2.90 A)
 &rst
  ixpk= 60, nxpk= 10, iat= 453, 451, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 TYR  HB-          27 TYR  HN          3.50    (#     61:10  Unique         2.25, 2.63 A)
 &rst
  ixpk= 61, nxpk= 10, iat=  -1, 451, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 455, 456,
 &end
#
#   14 ILE  HG1+         27 TYR  HN          4.50    (#     62:10  Unique         2.21, 3.29 A)
 &rst
  ixpk= 62, nxpk= 10, iat=  -1, 451, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 215, 216,
 &end
#
#   26 ILE  HG1-         27 TYR  HN          3.50    (#     63:10  Unique         2.17, 3.04 A)
 &rst
  ixpk= 63, nxpk= 10, iat=  -1, 451, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 442, 443,
 &end
#
#   43 ALA  HA           43 ALA  HN          3.50    (#     67:10  Unique         2.28, 2.63 A)
 &rst
  ixpk= 67, nxpk= 10, iat= 685, 683, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   42 VAL  HA           43 ALA  HN          3.50    (#     68:10  Unique         2.42, 2.87 A)
 &rst
  ixpk= 68, nxpk= 10, iat= 669, 683, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:69      43 ALA  HN          5.50    (#     69:10  Single Ambig)
 &rst
  ixpk= 69, nxpk= 10, iat=  -1, 683, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 671, 656, 657,
 &end
#
#   43 ALA  MB           43 ALA  HN          3.50    (#     70:10  Unique         2.08, 3.37 A)
 &rst
  ixpk= 70, nxpk= 10, iat=  -1, 683, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 687, 688, 689,
 &end
#
#   42 VAL  MGY          43 ALA  HN          5.50    (#     71:10  Unique         1.95, 4.10 A)
 &rst
  ixpk= 71, nxpk= 10, iat=  -1, 683, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 673, 674, 675, 677, 678, 679,
 &end
#
#   77 ASN  HB-          77 ASN  HN          4.50    (#     72:10  Unique         2.51, 2.99 A)
 &rst
  ixpk= 72, nxpk= 10, iat=  -1,1176, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1180,1181,
 &end
#
#    0 AMB  10-2:73      77 ASN  HN          4.50    (#     73:10  Single Ambig)
 &rst
  ixpk= 73, nxpk= 10, iat=  -1,1176, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 190, 191,1214,1215,
 &end
#
#   76 VAL  HA           77 ASN  HN          2.80    (#     75:10  Unique         2.14, 2.17 A)
 &rst
  ixpk= 75, nxpk= 10, iat=1162,1176, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   77 ASN  HB+          77 ASN  HN          4.50    (#     76:10  Unique         2.51, 2.99 A)
 &rst
  ixpk= 76, nxpk= 10, iat=  -1,1176, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1180,1181,
 &end
#
#    0 AMB  10-2:77      77 ASN  HN          2.80    (#     77:10  Single Ambig)
 &rst
  ixpk= 77, nxpk= 10, iat=  -1,1176, r1= 0.00, r2= 1.80, r3= 3.96, r4= 4.71,
 igr1=1166,1167,1168,1170,1171,1172, 231, 232,
 &end
#
#    0 AMB  10-2:78      77 ASN  HN          4.50    (#     78:10  Single Ambig)
 &rst
  ixpk= 78, nxpk= 10, iat=  -1,1176, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 218, 219, 220, 231, 232,
 &end
#
#   33 VAL  HN           65 LEU  HN          4.50    (#     79:10  Unique         3.17, 3.65 A)
 &rst
  ixpk= 79, nxpk= 10, iat= 535, 992, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 TYR  HN           65 LEU  HN          3.50    (#     80:10  Unique         2.71, 2.82 A)
 &rst
  ixpk= 80, nxpk= 10, iat=1011, 992, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 TYR  HA           65 LEU  HN          3.50    (#     81:10  Unique         2.69, 3.38 A)
 &rst
  ixpk= 81, nxpk= 10, iat= 516, 992, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   64 LEU  HA           65 LEU  HN          3.50    (#     82:10  Unique         2.14, 2.14 A)
 &rst
  ixpk= 82, nxpk= 10, iat= 975, 992, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 LEU  HA           65 LEU  HN          3.50    (#     83:10  Unique         2.73, 2.74 A)
 &rst
  ixpk= 83, nxpk= 10, iat= 994, 992, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   65 LEU  HB-          65 LEU  HN          2.80    (#     84:10  Unique         2.06, 2.59 A)
 &rst
  ixpk= 84, nxpk= 10, iat=  -1, 992, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 996, 997,
 &end
#
#   65 LEU  HB+          65 LEU  HN          2.80    (#     85:10  Unique         2.06, 2.59 A)
 &rst
  ixpk= 85, nxpk= 10, iat=  -1, 992, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 996, 997,
 &end
#
#   65 LEU  HG           65 LEU  HN          4.50    (#     86:10  Unique         3.76, 3.90 A)
 &rst
  ixpk= 86, nxpk= 10, iat= 999, 992, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:87      65 LEU  HN          3.50    (#     87:10  Single Ambig)
 &rst
  ixpk= 87, nxpk= 10, iat=  -1, 992, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 541, 542, 543, 545, 546, 547, 982, 983, 984, 986,
       987, 988,
 &end
#
#   65 LEU  MDY          65 LEU  HN          4.50    (#     88:10  Unique         4.07, 5.13 A)
 &rst
  ixpk= 88, nxpk= 10, iat=  -1, 992, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1001,1002,1003,1005,1006,1007,
 &end
#
#    0 AMB  10-2:89      65 LEU  HN          4.50    (#     89:10  Single Ambig)
 &rst
  ixpk= 89, nxpk= 10, iat=  -1, 992, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 541, 542, 543, 545, 546, 547,1050,1051,1052,1054,
      1055,1056,
 &end
#
#   64 LEU  MDX          65 LEU  HN          3.50    (#     90:10  Unique         2.63, 5.12 A)
 &rst
  ixpk= 90, nxpk= 10, iat=  -1, 992, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 982, 983, 984, 986, 987, 988,
 &end
#
#   65 LEU  MDX          65 LEU  HN          5.50    (#     91:10  Unique         4.07, 5.13 A)
 &rst
  ixpk= 91, nxpk= 10, iat=  -1, 992, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1001,1002,1003,1005,1006,1007,
 &end
#
#   33 VAL  HN           63 GLU  HN          3.50    (#     92:10  Unique         2.49, 2.75 A)
 &rst
  ixpk= 92, nxpk= 10, iat= 535, 958, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:93      63 GLU  HN          5.50    (#     93:10  Single Ambig)
 &rst
  ixpk= 93, nxpk= 10, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 580, 524, 529,
 &end
#
#   32 TYR  HD           63 GLU  HN          3.50    (#     94:10  Unique         3.84, 5.58 A)
 &rst
  ixpk= 94, nxpk= 10, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 522, 531,
 &end
#
#   62 LYS  HA           63 GLU  HN          2.80    (#     95:10  Unique         2.14, 2.15 A)
 &rst
  ixpk= 95, nxpk= 10, iat= 938, 958, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   34 VAL  HA           63 GLU  HN          4.50    (#     96:10  Unique         3.40, 3.74 A)
 &rst
  ixpk= 96, nxpk= 10, iat= 553, 958, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   63 GLU  HA           63 GLU  HN          3.50    (#     97:10  Unique         2.88, 2.89 A)
 &rst
  ixpk= 97, nxpk= 10, iat= 960, 958, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   63 GLU  HG-          63 GLU  HN          4.50    (#     99:10  Unique         3.58, 3.98 A)
 &rst
  ixpk= 99, nxpk= 10, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 965, 966,
 &end
#
#    0 AMB  10-2:100     63 GLU  HN          3.50    (#    100:10  Single Ambig)
 &rst
  ixpk= 100, nxpk= 10, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 962, 963, 965, 966,
 &end
#
#    0 AMB  10-2:101     63 GLU  HN          4.50    (#    101:10  Single Ambig)
 &rst
  ixpk= 101, nxpk= 10, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 940, 941, 949, 950,
 &end
#
#   63 GLU  HB+          63 GLU  HN          2.80    (#    102:10  Unique         2.85, 3.37 A)
 &rst
  ixpk= 102, nxpk= 10, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 962, 963,
 &end
#
#   62 LYS  HG+          63 GLU  HN          3.50    (#    103:10  Unique         2.82, 3.26 A)
 &rst
  ixpk= 103, nxpk= 10, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 943, 944,
 &end
#
#   62 LYS  HG-          63 GLU  HN          3.50    (#    104:10  Unique         2.82, 3.26 A)
 &rst
  ixpk= 104, nxpk= 10, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 943, 944,
 &end
#
#   33 VAL  MGX          63 GLU  HN          4.50    (#    105:10  Unique         2.94, 5.14 A)
 &rst
  ixpk= 105, nxpk= 10, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 541, 542, 543, 545, 546, 547,
 &end
#
#    0 AMB  10-2:106     63 GLU  HN          3.50    (#    106:10  Single Ambig)
 &rst
  ixpk= 106, nxpk= 10, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
      1055,1056, 541, 542, 543, 545, 546, 547,
 &end
#
#   18 ARG  HN           23 HIS  HN          4.50    (#    107:10  Unique         3.54, 3.99 A)
 &rst
  ixpk= 107, nxpk= 10, iat= 278, 381, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   23 HIS  HA           23 HIS  HN          3.50    (#    108:10  Unique         2.88, 2.94 A)
 &rst
  ixpk= 108, nxpk= 10, iat= 383, 381, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 HIS  HB+          23 HIS  HN          3.50    (#    109:10  Unique         2.46, 2.95 A)
 &rst
  ixpk= 109, nxpk= 10, iat=  -1, 381, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 385, 386,
 &end
#
#   23 HIS  HB-          23 HIS  HN          3.50    (#    110:10  Unique         2.46, 2.95 A)
 &rst
  ixpk= 110, nxpk= 10, iat=  -1, 381, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 385, 386,
 &end
#
#   22 ARG  HB-          23 HIS  HN          5.50    (#    111:10  Unique         1.91, 3.24 A)
 &rst
  ixpk= 111, nxpk= 10, iat=  -1, 381, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 361, 362,
 &end
#
#   16 ILE  HB           23 HIS  HN          2.80    (#    112:10  Unique         1.90, 2.19 A)
 &rst
  ixpk= 112, nxpk= 10, iat= 243, 381, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   16 ILE  QG2          23 HIS  HN          5.50    (#    113:10  Unique         3.10, 4.18 A)
 &rst
  ixpk= 113, nxpk= 10, iat=  -1, 381, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 245, 246, 247,
 &end
#
#    0 AMB  10-2:114     23 HIS  HN          4.50    (#    114:10  Single Ambig)
 &rst
  ixpk= 114, nxpk= 10, iat=  -1, 381, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 260, 241,
 &end
#
#   79 LYS  HN           78 ASN  HN          4.50    (#    115:10  Unique         4.41, 4.55 A)
 &rst
  ixpk= 115, nxpk= 10, iat=1204,1190, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   78 ASN  HD2+         78 ASN  HN          3.50    (#    116:10  Unique         1.90, 3.39 A)
 &rst
  ixpk= 116, nxpk= 10, iat=  -1,1190, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1199,1200,
 &end
#
#   78 ASN  HA           78 ASN  HN          3.50    (#    117:10  Unique         2.75, 2.85 A)
 &rst
  ixpk= 117, nxpk= 10, iat=1192,1190, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   78 ASN  HB-          78 ASN  HN          3.50    (#    119:10  Unique         2.18, 3.09 A)
 &rst
  ixpk= 119, nxpk= 10, iat=  -1,1190, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1194,1195,
 &end
#
#   78 ASN  HB+          78 ASN  HN          2.80    (#    120:10  Unique         2.18, 3.09 A)
 &rst
  ixpk= 120, nxpk= 10, iat=  -1,1190, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1194,1195,
 &end
#
#   76 VAL  MGY          78 ASN  HN          3.50    (#    121:10  Unique         3.34, 5.44 A)
 &rst
  ixpk= 121, nxpk= 10, iat=  -1,1190, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1166,1167,1168,1170,1171,1172,
 &end
#
#   23 HIS  HN           16 ILE  HN          3.50    (#    122:10  Unique         2.75, 3.07 A)
 &rst
  ixpk= 122, nxpk= 10, iat= 381, 239, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   24 TRP  HA           16 ILE  HN          4.50    (#    123:10  Unique         3.05, 3.17 A)
 &rst
  ixpk= 123, nxpk= 10, iat= 400, 239, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   15 GLU  HA           16 ILE  HN          2.80    (#    124:10  Unique         2.14, 2.15 A)
 &rst
  ixpk= 124, nxpk= 10, iat= 226, 239, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   23 HIS  HB+          16 ILE  HN          5.50    (#    125:10  Unique         2.99, 4.37 A)
 &rst
  ixpk= 125, nxpk= 10, iat=  -1, 239, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 385, 386,
 &end
#
#   23 HIS  HB-          16 ILE  HN          4.50    (#    126:10  Unique         2.99, 4.37 A)
 &rst
  ixpk= 126, nxpk= 10, iat=  -1, 239, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 385, 386,
 &end
#
#   74 TYR  HB+          16 ILE  HN          4.50    (#    127:10  Unique         4.29, 4.70 A)
 &rst
  ixpk= 127, nxpk= 10, iat=  -1, 239, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1126,1127,
 &end
#
#   16 ILE  HB           16 ILE  HN          2.80    (#    128:10  Unique         2.51, 2.63 A)
 &rst
  ixpk= 128, nxpk= 10, iat= 243, 239, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   16 ILE  QG2          16 ILE  HN          4.50    (#    129:10  Unique         4.37, 4.61 A)
 &rst
  ixpk= 129, nxpk= 10, iat=  -1, 239, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 245, 246, 247,
 &end
#
#   15 GLU  HB+          16 ILE  HN          4.50    (#    130:10  Unique         3.31, 4.22 A)
 &rst
  ixpk= 130, nxpk= 10, iat=  -1, 239, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 228, 229,
 &end
#
#   16 ILE  HA           16 ILE  HN          3.50    (#    131:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 131, nxpk= 10, iat= 241, 239, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  107 LYS  HN          108 LEU  HN          5.50    (#    132:10  Unique         1.97, 4.37 A)
 &rst
  ixpk= 132, nxpk= 10, iat=1661,1683, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  109 THR  HN          108 LEU  HN          5.50    (#    133:10  Unique         2.78, 3.69 A)
 &rst
  ixpk= 133, nxpk= 10, iat=1702,1683, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:135    108 LEU  HN          2.80    (#    135:10  Single Ambig)
 &rst
  ixpk= 135, nxpk= 10, iat=  -1,1683, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1685,1663,
 &end
#
#    0 AMB  10-2:136    108 LEU  HN          2.80    (#    136:10  Single Ambig)
 &rst
  ixpk= 136, nxpk= 10, iat=  -1,1683, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1665,1666,1687,1688,
 &end
#
#  108 LEU  HB+         108 LEU  HN          2.80    (#    137:10  Unique         2.10, 2.98 A)
 &rst
  ixpk= 137, nxpk= 10, iat=  -1,1683, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1687,1688,
 &end
#
#  108 LEU  MDY         108 LEU  HN          4.50    (#    138:10  Unique         1.93, 4.67 A)
 &rst
  ixpk= 138, nxpk= 10, iat=  -1,1683, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1692,1693,1694,1696,1697,1698,
 &end
#
#  108 LEU  MDX         108 LEU  HN          3.50    (#    139:10  Unique         1.93, 4.67 A)
 &rst
  ixpk= 139, nxpk= 10, iat=  -1,1683, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1692,1693,1694,1696,1697,1698,
 &end
#
#  100 VAL  HA           60 VAL  HN          5.50    (#    141:10  Unique         4.54, 4.63 A)
 &rst
  ixpk= 141, nxpk= 10, iat=1552, 898, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:142     60 VAL  HN          2.80    (#    142:10  Single Ambig)
 &rst
  ixpk= 142, nxpk= 10, iat=  -1, 898, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 902,1580,1581,
 &end
#
#   59 ILE  HB           60 VAL  HN          4.50    (#    143:10  Unique         2.15, 2.44 A)
 &rst
  ixpk= 143, nxpk= 10, iat= 883, 898, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:144     60 VAL  HN          2.80    (#    144:10  Single Ambig)
 &rst
  ixpk= 144, nxpk= 10, iat=  -1, 898, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 885, 886, 887, 904, 905, 906, 908, 909, 910,
 &end
#
#   36 LEU  MDX          60 VAL  HN          5.50    (#    145:10  Unique         4.16, 5.87 A)
 &rst
  ixpk= 145, nxpk= 10, iat=  -1, 898, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 593, 594, 595, 597, 598, 599,
 &end
#
#    0 AMB  10-2:150     62 LYS  HN          5.50    (#    150:10  Single Ambig)
 &rst
  ixpk= 150, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 914, 567,
 &end
#
#   63 GLU  HN           62 LYS  HN          5.50    (#    151:10  Unique         4.14, 4.24 A)
 &rst
  ixpk= 151, nxpk= 10, iat= 958, 936, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   62 LYS  HA           62 LYS  HN          3.50    (#    152:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 152, nxpk= 10, iat= 938, 936, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   61 LYS  HA           62 LYS  HN          2.80    (#    153:10  Unique         2.17, 2.29 A)
 &rst
  ixpk= 153, nxpk= 10, iat= 916, 936, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   61 LYS  HB-          62 LYS  HN          3.50    (#    154:10  Unique         2.59, 3.45 A)
 &rst
  ixpk= 154, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 918, 919,
 &end
#
#   62 LYS  HB+          62 LYS  HN          2.80    (#    155:10  Unique         2.54, 2.95 A)
 &rst
  ixpk= 155, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 940, 941,
 &end
#
#   61 LYS  HG+          62 LYS  HN          3.50    (#    156:10  Unique         2.64, 3.98 A)
 &rst
  ixpk= 156, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 921, 922,
 &end
#
#   61 LYS  HG-          62 LYS  HN          3.50    (#    157:10  Unique         2.64, 3.98 A)
 &rst
  ixpk= 157, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 921, 922,
 &end
#
#  122 TYR  HA           87 LEU  HN          4.50    (#    158:10  Unique         3.34, 3.56 A)
 &rst
  ixpk= 158, nxpk= 10, iat=1909,1335, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   86 PRO  HA           87 LEU  HN          3.50    (#    159:10  Unique         3.33, 3.38 A)
 &rst
  ixpk= 159, nxpk= 10, iat=1331,1335, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   87 LEU  HA           87 LEU  HN          3.50    (#    160:10  Unique         2.74, 2.91 A)
 &rst
  ixpk= 160, nxpk= 10, iat=1337,1335, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   86 PRO  HD-          87 LEU  HN          5.50    (#    161:10  Unique         2.77, 3.40 A)
 &rst
  ixpk= 161, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1322,1323,
 &end
#
#    0 AMB  10-2:162     87 LEU  HN          4.50    (#    162:10  Single Ambig)
 &rst
  ixpk= 162, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1328,1329,1394,1395,
 &end
#
#    0 AMB  10-2:163     87 LEU  HN          2.80    (#    163:10  Single Ambig)
 &rst
  ixpk= 163, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1342,1339,1340,
 &end
#
#   92 ILE  HG1-         87 LEU  HN          5.50    (#    164:10  Unique         4.76, 5.50 A)
 &rst
  ixpk= 164, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1422,1423,
 &end
#
#   87 LEU  HB-          87 LEU  HN          3.50    (#    165:10  Unique         2.31, 3.19 A)
 &rst
  ixpk= 165, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1339,1340,
 &end
#
#   92 ILE  QD1          87 LEU  HN          4.50    (#    166:10  Unique         4.40, 5.83 A)
 &rst
  ixpk= 166, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1425,1426,1427,
 &end
#
#   87 LEU  MDX          87 LEU  HN          3.50    (#    167:10  Unique         2.21, 4.63 A)
 &rst
  ixpk= 167, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1344,1345,1346,1348,1349,1350,
 &end
#
#   87 LEU  MDY          87 LEU  HN          3.50    (#    168:10  Unique         2.21, 4.63 A)
 &rst
  ixpk= 168, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1344,1345,1346,1348,1349,1350,
 &end
#
#  101 GLY  HN           60 VAL  HN          5.50    (#    169:10  Unique         3.53, 3.83 A)
 &rst
  ixpk= 169, nxpk= 10, iat=1566, 898, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  102 GLN  HN           60 VAL  HN          3.50    (#    170:10  Unique         2.78, 3.26 A)
 &rst
  ixpk= 170, nxpk= 10, iat=1573, 898, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 ILE  HA           60 VAL  HN          2.80    (#    171:10  Unique         2.25, 2.49 A)
 &rst
  ixpk= 171, nxpk= 10, iat= 881, 898, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 VAL  HA           60 VAL  HN          5.50    (#    172:10  Unique         2.90, 2.94 A)
 &rst
  ixpk= 172, nxpk= 10, iat= 900, 898, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   59 ILE  HG1-         60 VAL  HN          3.50    (#    173:10  Unique         2.40, 3.61 A)
 &rst
  ixpk= 173, nxpk= 10, iat=  -1, 898, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 889, 890,
 &end
#
#   59 ILE  HG1+         60 VAL  HN          3.50    (#    174:10  Unique         2.40, 3.61 A)
 &rst
  ixpk= 174, nxpk= 10, iat=  -1, 898, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 889, 890,
 &end
#
#   60 VAL  MGX          60 VAL  HN          4.50    (#    175:10  Unique         2.34, 4.04 A)
 &rst
  ixpk= 175, nxpk= 10, iat=  -1, 898, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  10-2:176     35 HIS  HN          2.80    (#    176:10  Single Ambig)
 &rst
  ixpk= 176, nxpk= 10, iat=  -1, 567, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 580,1809,1813,
 &end
#
#   62 LYS  HA           35 HIS  HN          3.50    (#    177:10  Unique         3.50, 3.64 A)
 &rst
  ixpk= 177, nxpk= 10, iat= 938, 567, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 VAL  HA           35 HIS  HN          2.80    (#    178:10  Unique         2.16, 2.21 A)
 &rst
  ixpk= 178, nxpk= 10, iat= 553, 567, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   35 HIS  HA           35 HIS  HN          3.50    (#    179:10  Unique         2.85, 2.90 A)
 &rst
  ixpk= 179, nxpk= 10, iat= 569, 567, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 VAL  HA           35 HIS  HN          5.50    (#    180:10  Unique         4.28, 4.47 A)
 &rst
  ixpk= 180, nxpk= 10, iat= 900, 567, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   35 HIS  HB+          35 HIS  HN          4.50    (#    181:10  Unique         3.20, 3.64 A)
 &rst
  ixpk= 181, nxpk= 10, iat=  -1, 567, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 571, 572,
 &end
#
#   34 VAL  MGX          35 HIS  HN          2.80    (#    182:10  Unique         1.94, 4.18 A)
 &rst
  ixpk= 182, nxpk= 10, iat=  -1, 567, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 557, 558, 559, 561, 562, 563,
 &end
#
#   63 GLU  HG-          62 LYS  HN          5.50    (#    183:10  Unique         3.39, 4.13 A)
 &rst
  ixpk= 183, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 965, 966,
 &end
#
#    0 AMB  10-2:184      0 AMB  10-1:184    2.80    (#    184:10  Double Ambig)
 &rst
  ixpk= 184, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 940, 941,1164,
 igr2= 936,1160,
 &end
#
#    0 AMB  10-2:185     76 VAL  HN          2.80    (#    185:10  Single Ambig)
 &rst
  ixpk= 185, nxpk= 10, iat=  -1,1160, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1166,1167,1168,1170,1171,1172,1166,1167,1168,1170,
      1171,1172,
 &end
#
#  106 TYR  HN          105 LEU  HN          3.50    (#    186:10  Unique         1.86, 2.06 A)
 &rst
  ixpk= 186, nxpk= 10, iat=1640,1621, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  106 TYR  HD          105 LEU  HN          5.50    (#    187:10  Unique         3.04, 4.39 A)
 &rst
  ixpk= 187, nxpk= 10, iat=  -1,1621, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1648,1657,
 &end
#
#    0 AMB  10-2:188      0 AMB  10-1:188    2.80    (#    188:10  Double Ambig)
 &rst
  ixpk= 188, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 104,1607,1623,
 igr2= 102,1621,
 &end
#
#  104 VAL  HB          105 LEU  HN          2.80    (#    189:10  Unique         1.84, 1.89 A)
 &rst
  ixpk= 189, nxpk= 10, iat=1609,1621, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:190    105 LEU  HN          2.80    (#    190:10  Single Ambig)
 &rst
  ixpk= 190, nxpk= 10, iat=  -1,1621, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1625,1626,1628,
 &end
#
#    0 AMB  10-2:191      0 AMB  10-1:191    4.50    (#    191:10  Double Ambig)
 &rst
  ixpk= 191, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.28, r4= 8.03,
 igr1=1630,1631,1632,1634,1635,1636,  75,  76,  77,
 igr2=1621, 102,
 &end
#
#  105 LEU  MDY         105 LEU  HN          3.50    (#    192:10  Unique         2.58, 4.69 A)
 &rst
  ixpk= 192, nxpk= 10, iat=  -1,1621, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1630,1631,1632,1634,1635,1636,
 &end
#
#  104 VAL  MGX         105 LEU  HN          3.50    (#    193:10  Unique         2.55, 3.91 A)
 &rst
  ixpk= 193, nxpk= 10, iat=  -1,1621, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1611,1612,1613,1615,1616,1617,
 &end
#
#  104 VAL  MGY         105 LEU  HN          4.50    (#    194:10  Unique         2.55, 3.91 A)
 &rst
  ixpk= 194, nxpk= 10, iat=  -1,1621, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1611,1612,1613,1615,1616,1617,
 &end
#
#   71 SER  HN           72 ASP  HN          3.50    (#    195:10  Unique         1.84, 2.38 A)
 &rst
  ixpk= 195, nxpk= 10, iat=1077,1088, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   73 LYS  HN           72 ASP  HN          4.50    (#    196:10  Unique         1.80, 4.02 A)
 &rst
  ixpk= 196, nxpk= 10, iat=1100,1088, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   71 SER  HB+          72 ASP  HN          3.50    (#    197:10  Unique         1.87, 3.71 A)
 &rst
  ixpk= 197, nxpk= 10, iat=  -1,1088, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1081,1082,
 &end
#
#   70 GLY  HA+          72 ASP  HN          5.50    (#    198:10  Unique         3.05, 4.29 A)
 &rst
  ixpk= 198, nxpk= 10, iat=  -1,1088, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1072,1073,
 &end
#
#   72 ASP  HB+          72 ASP  HN          2.80    (#    199:10  Unique         2.17, 3.21 A)
 &rst
  ixpk= 199, nxpk= 10, iat=  -1,1088, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1092,1093,
 &end
#
#   16 ILE  QG2          72 ASP  HN          4.50    (#    200:10  Unique         4.23, 5.34 A)
 &rst
  ixpk= 200, nxpk= 10, iat=  -1,1088, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 245, 246, 247,
 &end
#
#   72 ASP  HA           72 ASP  HN          2.80    (#    201:10  Unique         2.28, 2.78 A)
 &rst
  ixpk= 201, nxpk= 10, iat=1090,1088, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   71 SER  HA           72 ASP  HN          3.50    (#    202:10  Unique         3.10, 3.27 A)
 &rst
  ixpk= 202, nxpk= 10, iat=1079,1088, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:203     72 ASP  HN          4.50    (#    203:10  Single Ambig)
 &rst
  ixpk= 203, nxpk= 10, iat=  -1,1088, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1=1064,1065,1066,1107,1108,
 &end
#
#    0 AMB  10-2:204      0 AMB  10-1:204    4.50    (#    204:10  Double Ambig)
 &rst
  ixpk= 204, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 958, 992,
 igr2= 973, 567,
 &end
#
#    0 AMB  10-2:205      0 AMB  10-1:205    2.80    (#    205:10  Double Ambig)
 &rst
  ixpk= 205, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 977, 978, 555,
 igr2= 973, 567,
 &end
#
#   64 LEU  HB-          64 LEU  HN          2.80    (#    206:10  Unique         2.04, 2.86 A)
 &rst
  ixpk= 206, nxpk= 10, iat=  -1, 973, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 977, 978,
 &end
#
#    0 AMB  10-2:207      0 AMB  10-1:207    2.80    (#    207:10  Double Ambig)
 &rst
  ixpk= 207, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.76, r4= 5.51,
 igr1= 982, 983, 984, 986, 987, 988, 557, 558, 559, 561,
       562, 563,
 igr2= 973, 567,
 &end
#
#    0 AMB  10-2:208      0 AMB  10-1:208    3.50    (#    208:10  Double Ambig)
 &rst
  ixpk= 208, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
      1055,1056, 541, 542, 543, 545, 546, 547,
 igr2= 973, 567,
 &end
#
#   75 GLN  HA           76 VAL  HN          2.80    (#    209:10  Unique         2.34, 2.43 A)
 &rst
  ixpk= 209, nxpk= 10, iat=1145,1160, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   75 GLN  HB-          76 VAL  HN          2.80    (#    210:10  Unique         2.32, 3.03 A)
 &rst
  ixpk= 210, nxpk= 10, iat=  -1,1160, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1147,1148,
 &end
#
#    0 AMB  10-2:211     76 VAL  HN          5.50    (#    211:10  Single Ambig)
 &rst
  ixpk= 211, nxpk= 10, iat=  -1,1160, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 218, 219, 220, 124, 125, 211, 212, 213,
 &end
#
#    6 PRO  HA            7 GLU  HN          3.50    (#    213:10  Unique         3.38, 3.50 A)
 &rst
  ixpk= 213, nxpk= 10, iat=  98, 102, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    6 PRO  HB+           7 GLU  HN          3.50    (#    214:10  Unique         2.00, 3.58 A)
 &rst
  ixpk= 214, nxpk= 10, iat=  -1, 102, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  95,  96,
 &end
#
#    7 GLU  HB+           7 GLU  HN          3.50    (#    215:10  Unique         2.13, 3.44 A)
 &rst
  ixpk= 215, nxpk= 10, iat=  -1, 102, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 106, 107,
 &end
#
#   32 TYR  HD           64 LEU  HN          3.50    (#    216:10  Unique         2.35, 4.58 A)
 &rst
  ixpk= 216, nxpk= 10, iat=  -1, 973, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 522, 531,
 &end
#
#   63 GLU  HA           64 LEU  HN          2.80    (#    217:10  Unique         2.44, 2.46 A)
 &rst
  ixpk= 217, nxpk= 10, iat= 960, 973, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   64 LEU  HA           64 LEU  HN          3.50    (#    218:10  Unique         2.70, 2.75 A)
 &rst
  ixpk= 218, nxpk= 10, iat= 975, 973, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:219     64 LEU  HN          4.50    (#    219:10  Single Ambig)
 &rst
  ixpk= 219, nxpk= 10, iat=  -1, 973, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1036,1037,1036,1037,
 &end
#
#   63 GLU  HG-          64 LEU  HN          4.50    (#    220:10  Unique         3.60, 4.28 A)
 &rst
  ixpk= 220, nxpk= 10, iat=  -1, 973, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 965, 966,
 &end
#
#   63 GLU  HB-          64 LEU  HN          3.50    (#    221:10  Unique         2.23, 2.97 A)
 &rst
  ixpk= 221, nxpk= 10, iat=  -1, 973, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 962, 963,
 &end
#
#   64 LEU  HG           64 LEU  HN          4.50    (#    222:10  Unique         2.12, 3.08 A)
 &rst
  ixpk= 222, nxpk= 10, iat= 980, 973, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   64 LEU  MDX          64 LEU  HN          4.50    (#    223:10  Unique         1.90, 4.47 A)
 &rst
  ixpk= 223, nxpk= 10, iat=  -1, 973, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 982, 983, 984, 986, 987, 988,
 &end
#
#   23 HIS  HN           18 ARG  HN          4.50    (#    224:10  Unique         3.54, 3.99 A)
 &rst
  ixpk= 224, nxpk= 10, iat= 381, 278, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   17 PHE  HD           18 ARG  HN          4.50    (#    225:10  Unique         3.35, 5.11 A)
 &rst
  ixpk= 225, nxpk= 10, iat=  -1, 278, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 266, 274,
 &end
#
#    0 AMB  10-2:227     18 ARG  HN          2.80    (#    227:10  Single Ambig)
 &rst
  ixpk= 227, nxpk= 10, iat=  -1, 278, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 260, 280,
 &end
#
#    0 AMB  10-2:229     18 ARG  HN          5.50    (#    229:10  Single Ambig)
 &rst
  ixpk= 229, nxpk= 10, iat=  -1, 278, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 303, 304, 367, 368,
 &end
#
#   18 ARG  HD+          18 ARG  HN          5.50    (#    230:10  Unique         4.54, 5.21 A)
 &rst
  ixpk= 230, nxpk= 10, iat=  -1, 278, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 288, 289,
 &end
#
#    0 AMB  10-2:231     18 ARG  HN          3.50    (#    231:10  Single Ambig)
 &rst
  ixpk= 231, nxpk= 10, iat=  -1, 278, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 262, 263, 288, 289,
 &end
#
#   23 HIS  HB-          18 ARG  HN          5.50    (#    232:10  Unique         4.68, 5.90 A)
 &rst
  ixpk= 232, nxpk= 10, iat=  -1, 278, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 385, 386,
 &end
#
#   18 ARG  HB+          18 ARG  HN          2.80    (#    234:10  Unique         2.21, 2.88 A)
 &rst
  ixpk= 234, nxpk= 10, iat=  -1, 278, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 282, 283,
 &end
#
#   18 ARG  HG-          18 ARG  HN          3.50    (#    235:10  Unique         2.34, 3.86 A)
 &rst
  ixpk= 235, nxpk= 10, iat=  -1, 278, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 285, 286,
 &end
#
#   16 ILE  QG2          18 ARG  HN          5.50    (#    236:10  Unique         3.76, 5.00 A)
 &rst
  ixpk= 236, nxpk= 10, iat=  -1, 278, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 245, 246, 247,
 &end
#
#    0 AMB  10-2:237     14 ILE  HN          3.50    (#    237:10  Single Ambig)
 &rst
  ixpk= 237, nxpk= 10, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 422, 186,
 &end
#
#   24 TRP  HZ3          14 ILE  HN          5.50    (#    238:10  Unique         3.05, 3.69 A)
 &rst
  ixpk= 238, nxpk= 10, iat= 415, 205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 ILE  HA           14 ILE  HN          3.50    (#    239:10  Unique         2.52, 2.90 A)
 &rst
  ixpk= 239, nxpk= 10, iat= 434, 205, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   13 LEU  HA           14 ILE  HN          2.80    (#    240:10  Unique         2.15, 2.25 A)
 &rst
  ixpk= 240, nxpk= 10, iat= 188, 205, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   13 LEU  HB+          14 ILE  HN          4.50    (#    241:10  Unique         2.49, 3.50 A)
 &rst
  ixpk= 241, nxpk= 10, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 190, 191,
 &end
#
#   14 ILE  HB           14 ILE  HN          2.80    (#    242:10  Unique         2.55, 2.71 A)
 &rst
  ixpk= 242, nxpk= 10, iat= 209, 205, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   14 ILE  HG1-         14 ILE  HN          2.80    (#    243:10  Unique         2.12, 3.42 A)
 &rst
  ixpk= 243, nxpk= 10, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 215, 216,
 &end
#
#   14 ILE  HG1+         14 ILE  HN          3.50    (#    244:10  Unique         2.12, 3.42 A)
 &rst
  ixpk= 244, nxpk= 10, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 215, 216,
 &end
#
#   13 LEU  MDY          14 ILE  HN          3.50    (#    245:10  Unique         2.63, 4.68 A)
 &rst
  ixpk= 245, nxpk= 10, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 195, 196, 197, 199, 200, 201,
 &end
#
#   14 ILE  HA           14 ILE  HN          4.50    (#    246:10  Unique         2.90, 2.94 A)
 &rst
  ixpk= 246, nxpk= 10, iat= 207, 205, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:247     14 ILE  HN          3.50    (#    247:10  Single Ambig)
 &rst
  ixpk= 247, nxpk= 10, iat=  -1, 205, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 218, 219, 220, 211, 212, 213,
 &end
#
#   55 THR  HN           56 ASP  HN          4.50    (#    248:10  Unique         2.27, 3.79 A)
 &rst
  ixpk= 248, nxpk= 10, iat= 821, 835, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   57 LYS  HN           56 ASP  HN          3.50    (#    249:10  Unique         2.63, 3.17 A)
 &rst
  ixpk= 249, nxpk= 10, iat= 847, 835, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   56 ASP  HA           56 ASP  HN          3.50    (#    251:10  Unique         2.27, 2.83 A)
 &rst
  ixpk= 251, nxpk= 10, iat= 837, 835, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   55 THR  HA           56 ASP  HN          2.80    (#    252:10  Unique         2.14, 2.36 A)
 &rst
  ixpk= 252, nxpk= 10, iat= 823, 835, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:253     56 ASP  HN          3.50    (#    253:10  Single Ambig)
 &rst
  ixpk= 253, nxpk= 10, iat=  -1, 835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 825,1663,
 &end
#
#    0 AMB  10-2:254     56 ASP  HN          3.50    (#    254:10  Single Ambig)
 &rst
  ixpk= 254, nxpk= 10, iat=  -1, 835, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 839, 840, 839, 840,
 &end
#
#   55 THR  MG2          56 ASP  HN          4.50    (#    255:10  Unique         2.81, 4.74 A)
 &rst
  ixpk= 255, nxpk= 10, iat=  -1, 835, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 827, 828, 829,
 &end
#
#    0 AMB  10-2:256     25 ALA  HN          5.50    (#    256:10  Single Ambig)
 &rst
  ixpk= 256, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 215, 216, 228, 229, 436,
 &end
#
#   14 ILE  HN           25 ALA  HN          3.50    (#    257:10  Unique         3.07, 3.27 A)
 &rst
  ixpk= 257, nxpk= 10, iat= 205, 422, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   24 TRP  HZ3          25 ALA  HN          5.50    (#    258:10  Unique         4.58, 4.62 A)
 &rst
  ixpk= 258, nxpk= 10, iat= 415, 422, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:259     25 ALA  HN          2.80    (#    259:10  Single Ambig)
 &rst
  ixpk= 259, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 400, 417,
 &end
#
#   25 ALA  HA           25 ALA  HN          3.50    (#    260:10  Unique         2.87, 2.91 A)
 &rst
  ixpk= 260, nxpk= 10, iat= 424, 422, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   24 TRP  HB-          25 ALA  HN          3.50    (#    261:10  Unique         2.87, 3.63 A)
 &rst
  ixpk= 261, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 402, 403,
 &end
#
#   24 TRP  HB+          25 ALA  HN          4.50    (#    262:10  Unique         2.87, 3.63 A)
 &rst
  ixpk= 262, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 402, 403,
 &end
#
#   14 ILE  HB           25 ALA  HN          3.50    (#    263:10  Unique         2.95, 3.32 A)
 &rst
  ixpk= 263, nxpk= 10, iat= 209, 422, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  117 VAL  MGX          25 ALA  HN          5.50    (#    264:10  Unique         3.10, 4.84 A)
 &rst
  ixpk= 264, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1825,1826,1827,1829,1830,1831,
 &end
#
#    0 AMB  10-2:265     25 ALA  HN          2.80    (#    265:10  Single Ambig)
 &rst
  ixpk= 265, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 426, 427, 428,1825,1826,1827,1829,1830,1831,
 &end
#
#   13 LEU  MDY          25 ALA  HN          5.50    (#    266:10  Unique         3.82, 6.30 A)
 &rst
  ixpk= 266, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 195, 196, 197, 199, 200, 201,
 &end
#
#   14 ILE  QG2          25 ALA  HN          4.50    (#    267:10  Unique         4.05, 5.17 A)
 &rst
  ixpk= 267, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 211, 212, 213,
 &end
#
#    0 AMB  10-2:268     25 ALA  HN          4.50    (#    268:10  Single Ambig)
 &rst
  ixpk= 268, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
 igr1= 228, 229, 252, 253, 254,1001,1002,1003,1005,1006,
      1007,
 &end
#
#  119 GLU  HN          118 ASN  HN          2.80    (#    269:10  Unique         2.63, 2.70 A)
 &rst
  ixpk= 269, nxpk= 10, iat=1849,1835, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  117 VAL  HN          118 ASN  HN          3.50    (#    270:10  Unique         2.57, 2.75 A)
 &rst
  ixpk= 270, nxpk= 10, iat=1819,1835, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 ASN  HD2+        118 ASN  HN          3.50    (#    271:10  Unique         2.40, 3.43 A)
 &rst
  ixpk= 271, nxpk= 10, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1844,1845,
 &end
#
#  118 ASN  HA          118 ASN  HN          3.50    (#    272:10  Unique         2.77, 2.79 A)
 &rst
  ixpk= 272, nxpk= 10, iat=1837,1835, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  117 VAL  HA          118 ASN  HN          5.50    (#    274:10  Unique         3.49, 3.51 A)
 &rst
  ixpk= 274, nxpk= 10, iat=1821,1835, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  114 GLU  HA          118 ASN  HN          5.50    (#    275:10  Unique         3.89, 3.97 A)
 &rst
  ixpk= 275, nxpk= 10, iat=1769,1835, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  118 ASN  HB-         118 ASN  HN          2.80    (#    276:10  Unique         2.08, 2.78 A)
 &rst
  ixpk= 276, nxpk= 10, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1839,1840,
 &end
#
#  118 ASN  HB+         118 ASN  HN          3.50    (#    277:10  Unique         2.08, 2.78 A)
 &rst
  ixpk= 277, nxpk= 10, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1839,1840,
 &end
#
#  117 VAL  MGX         118 ASN  HN          2.80    (#    278:10  Unique         1.90, 3.84 A)
 &rst
  ixpk= 278, nxpk= 10, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1825,1826,1827,1829,1830,1831,
 &end
#
#    0 AMB  10-2:279    118 ASN  HN          5.50    (#    279:10  Single Ambig)
 &rst
  ixpk= 279, nxpk= 10, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1856,1857,1853,1854,
 &end
#
#   59 ILE  HN           37 ALA  HN          3.50    (#    280:10  Unique         3.17, 3.46 A)
 &rst
  ixpk= 280, nxpk= 10, iat= 879, 603, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   36 LEU  HN           37 ALA  HN          5.50    (#    281:10  Unique         4.26, 4.36 A)
 &rst
  ixpk= 281, nxpk= 10, iat= 584, 603, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   36 LEU  HA           37 ALA  HN          2.80    (#    283:10  Unique         2.14, 2.15 A)
 &rst
  ixpk= 283, nxpk= 10, iat= 586, 603, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 VAL  HA           37 ALA  HN          4.50    (#    284:10  Unique         2.45, 2.85 A)
 &rst
  ixpk= 284, nxpk= 10, iat= 900, 603, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 LEU  HB+          37 ALA  HN          4.50    (#    285:10  Unique         3.70, 4.23 A)
 &rst
  ixpk= 285, nxpk= 10, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 588, 589,
 &end
#
#    0 AMB  10-2:286     37 ALA  HN          3.50    (#    286:10  Single Ambig)
 &rst
  ixpk= 286, nxpk= 10, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1692,1693,1694,1696,1697,1698, 873, 874, 875,
 &end
#
#    0 AMB  10-2:287     37 ALA  HN          2.80    (#    287:10  Single Ambig)
 &rst
  ixpk= 287, nxpk= 10, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 593, 594, 595, 597, 598, 599, 607, 608, 609,
 &end
#
#    0 AMB  10-2:288     37 ALA  HN          3.50    (#    288:10  Single Ambig)
 &rst
  ixpk= 288, nxpk= 10, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 588, 589, 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  10-2:289     37 ALA  HN          3.50    (#    289:10  Single Ambig)
 &rst
  ixpk= 289, nxpk= 10, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 885, 886, 887,1692,1693,1694,1696,1697,1698,
 &end
#
#   36 LEU  MDX          37 ALA  HN          3.50    (#    290:10  Unique         2.26, 4.38 A)
 &rst
  ixpk= 290, nxpk= 10, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 593, 594, 595, 597, 598, 599,
 &end
#
#   61 LYS  HN           37 ALA  HN          5.50    (#    291:10  Unique         3.24, 3.52 A)
 &rst
  ixpk= 291, nxpk= 10, iat= 914, 603, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:292     37 ALA  HN          4.50    (#    292:10  Single Ambig)
 &rst
  ixpk= 292, nxpk= 10, iat=  -1, 603, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 883, 924, 925,
 &end
#
#   36 LEU  HG           37 ALA  HN          5.50    (#    293:10  Unique         4.38, 5.16 A)
 &rst
  ixpk= 293, nxpk= 10, iat= 591, 603, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   59 ILE  HN           58 ALA  HN          5.50    (#    294:10  Unique         4.34, 4.37 A)
 &rst
  ixpk= 294, nxpk= 10, iat= 879, 869, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   57 LYS  HN           58 ALA  HN          5.50    (#    295:10  Unique         4.25, 4.41 A)
 &rst
  ixpk= 295, nxpk= 10, iat= 847, 869, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  106 TYR  HN           58 ALA  HN          4.50    (#    296:10  Unique         2.59, 3.59 A)
 &rst
  ixpk= 296, nxpk= 10, iat=1640, 869, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  103 GLU  HA           58 ALA  HN          5.50    (#    297:10  Unique         4.81, 4.96 A)
 &rst
  ixpk= 297, nxpk= 10, iat=1592, 869, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   57 LYS  HA           58 ALA  HN          2.80    (#    299:10  Unique         2.14, 2.33 A)
 &rst
  ixpk= 299, nxpk= 10, iat= 849, 869, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:300     58 ALA  HN          3.50    (#    300:10  Single Ambig)
 &rst
  ixpk= 300, nxpk= 10, iat=  -1, 869, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1623,1607,
 &end
#
#    0 AMB  10-2:301     58 ALA  HN          5.50    (#    301:10  Single Ambig)
 &rst
  ixpk= 301, nxpk= 10, iat=  -1, 869, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1594,1595, 631, 632,
 &end
#
#   57 LYS  HB-          58 ALA  HN          3.50    (#    302:10  Unique         2.11, 3.41 A)
 &rst
  ixpk= 302, nxpk= 10, iat=  -1, 869, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 851, 852,
 &end
#
#   57 LYS  HB+          58 ALA  HN          3.50    (#    303:10  Unique         2.11, 3.41 A)
 &rst
  ixpk= 303, nxpk= 10, iat=  -1, 869, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 851, 852,
 &end
#
#   58 ALA  MB           58 ALA  HN          2.80    (#    304:10  Unique         2.49, 3.32 A)
 &rst
  ixpk= 304, nxpk= 10, iat=  -1, 869, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 873, 874, 875,
 &end
#
#    0 AMB  10-2:305     58 ALA  HN          4.50    (#    305:10  Single Ambig)
 &rst
  ixpk= 305, nxpk= 10, iat=  -1, 869, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1630,1631,1632,1634,1635,1636,1692,1693,1694,1696,
      1697,1698,
 &end
#
#  104 VAL  MGY          58 ALA  HN          3.50    (#    306:10  Unique         1.92, 4.24 A)
 &rst
  ixpk= 306, nxpk= 10, iat=  -1, 869, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1611,1612,1613,1615,1616,1617,
 &end
#
#   78 ASN  HN           79 LYS  HN          4.50    (#    310:10  Unique         4.41, 4.55 A)
 &rst
  ixpk= 310, nxpk= 10, iat=1190,1204, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:311     79 LYS  HN          5.50    (#    311:10  Single Ambig)
 &rst
  ixpk= 311, nxpk= 10, iat=  -1,1204, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 413,1199,1200,
 &end
#
#   78 ASN  HA           79 LYS  HN          2.80    (#    312:10  Unique         2.14, 2.19 A)
 &rst
  ixpk= 312, nxpk= 10, iat=1192,1204, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   79 LYS  HA           79 LYS  HN          3.50    (#    313:10  Unique         2.78, 2.87 A)
 &rst
  ixpk= 313, nxpk= 10, iat=1206,1204, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:314     79 LYS  HN          4.50    (#    314:10  Single Ambig)
 &rst
  ixpk= 314, nxpk= 10, iat=  -1,1204, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1194,1195, 190, 191,1893,1894,
 &end
#
#    0 AMB  10-2:315     79 LYS  HN          2.80    (#    315:10  Single Ambig)
 &rst
  ixpk= 315, nxpk= 10, iat=  -1,1204, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1208,1209,1214,1215,
 &end
#
#   79 LYS  HB+          79 LYS  HN          2.80    (#    316:10  Unique         2.07, 2.93 A)
 &rst
  ixpk= 316, nxpk= 10, iat=  -1,1204, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1208,1209,
 &end
#
#   13 LEU  HG           79 LYS  HN          3.50    (#    317:10  Unique         2.86, 3.52 A)
 &rst
  ixpk= 317, nxpk= 10, iat= 193,1204, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 LYS  HG-          79 LYS  HN          4.50    (#    318:10  Unique         2.19, 3.44 A)
 &rst
  ixpk= 318, nxpk= 10, iat=  -1,1204, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1211,1212,
 &end
#
#   91 LYS  HA           91 LYS  HN          3.50    (#    319:10  Unique         2.74, 2.79 A)
 &rst
  ixpk= 319, nxpk= 10, iat=1392,1390, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 SER  HA           91 LYS  HN          4.50    (#    320:10  Unique         3.55, 3.56 A)
 &rst
  ixpk= 320, nxpk= 10, iat=1381,1390, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   92 ILE  HA           91 LYS  HN          5.50    (#    321:10  Unique         5.20, 5.35 A)
 &rst
  ixpk= 321, nxpk= 10, iat=1414,1390, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   94 GLN  HG-          91 LYS  HN          4.50    (#    322:10  Unique         4.08, 4.94 A)
 &rst
  ixpk= 322, nxpk= 10, iat=  -1,1390, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1457,1458,
 &end
#
#   94 GLN  HB+          91 LYS  HN          4.50    (#    323:10  Unique         4.64, 5.58 A)
 &rst
  ixpk= 323, nxpk= 10, iat=  -1,1390, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1454,1455,
 &end
#
#   91 LYS  HG+          91 LYS  HN          2.80    (#    324:10  Unique         2.40, 3.24 A)
 &rst
  ixpk= 324, nxpk= 10, iat=  -1,1390, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1397,1398,
 &end
#
#   93 ILE  HN           91 LYS  HN          5.50    (#    325:10  Unique         4.21, 4.46 A)
 &rst
  ixpk= 325, nxpk= 10, iat=1431,1390, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   92 ILE  HN           91 LYS  HN          3.50    (#    326:10  Unique         2.61, 2.78 A)
 &rst
  ixpk= 326, nxpk= 10, iat=1412,1390, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 SER  HB+          91 LYS  HN          3.50    (#    328:10  Unique         2.17, 2.85 A)
 &rst
  ixpk= 328, nxpk= 10, iat=  -1,1390, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1383,1384,
 &end
#
#   91 LYS  HB+          91 LYS  HN          2.80    (#    329:10  Unique         2.17, 2.90 A)
 &rst
  ixpk= 329, nxpk= 10, iat=  -1,1390, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1394,1395,
 &end
#
#   25 ALA  HN           24 TRP  HN          5.50    (#    331:10  Unique         4.48, 4.55 A)
 &rst
  ixpk= 331, nxpk= 10, iat= 422, 398, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 TRP  HD1          24 TRP  HN          3.50    (#    332:10  Unique         3.32, 3.50 A)
 &rst
  ixpk= 332, nxpk= 10, iat= 406, 398, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   24 TRP  HA           24 TRP  HN          3.50    (#    333:10  Unique         2.91, 2.92 A)
 &rst
  ixpk= 333, nxpk= 10, iat= 400, 398, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   23 HIS  HA           24 TRP  HN          2.80    (#    334:10  Unique         2.14, 2.16 A)
 &rst
  ixpk= 334, nxpk= 10, iat= 383, 398, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  113 CYS  HB-          24 TRP  HN          3.50    (#    335:10  Unique         2.16, 2.80 A)
 &rst
  ixpk= 335, nxpk= 10, iat=  -1, 398, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1760,1761,
 &end
#
#   23 HIS  HB+          24 TRP  HN          4.50    (#    336:10  Unique         3.21, 4.13 A)
 &rst
  ixpk= 336, nxpk= 10, iat=  -1, 398, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 385, 386,
 &end
#
#   24 TRP  HB+          24 TRP  HN          3.50    (#    337:10  Unique         2.21, 2.88 A)
 &rst
  ixpk= 337, nxpk= 10, iat=  -1, 398, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 402, 403,
 &end
#
#   42 VAL  HA           42 VAL  HN          3.50    (#    339:10  Unique         2.28, 2.89 A)
 &rst
  ixpk= 339, nxpk= 10, iat= 669, 667, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:340     42 VAL  HN          5.50    (#    340:10  Single Ambig)
 &rst
  ixpk= 340, nxpk= 10, iat=  -1, 667, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 659, 660, 659, 660,
 &end
#
#   43 ALA  HN           42 VAL  HN          4.50    (#    341:10  Unique         1.92, 3.65 A)
 &rst
  ixpk= 341, nxpk= 10, iat= 683, 667, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   41 GLU  HA           42 VAL  HN          2.80    (#    343:10  Unique         2.14, 2.29 A)
 &rst
  ixpk= 343, nxpk= 10, iat= 654, 667, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:344     42 VAL  HN          3.50    (#    344:10  Single Ambig)
 &rst
  ixpk= 344, nxpk= 10, iat=  -1, 667, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 656, 657, 671,
 &end
#
#   41 GLU  HB+          42 VAL  HN          5.50    (#    345:10  Unique         1.97, 3.97 A)
 &rst
  ixpk= 345, nxpk= 10, iat=  -1, 667, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 656, 657,
 &end
#
#   42 VAL  MGY          42 VAL  HN          3.50    (#    346:10  Unique         1.95, 3.51 A)
 &rst
  ixpk= 346, nxpk= 10, iat=  -1, 667, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 673, 674, 675, 677, 678, 679,
 &end
#
#   82 ASP  HN           81 ASP  HN          3.50    (#    347:10  Unique         2.53, 2.61 A)
 &rst
  ixpk= 347, nxpk= 10, iat=1255,1243, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:349     81 ASP  HN          2.80    (#    349:10  Single Ambig)
 &rst
  ixpk= 349, nxpk= 10, iat=  -1,1243, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1228,1245,
 &end
#
#    0 AMB  10-2:351     81 ASP  HN          3.50    (#    351:10  Single Ambig)
 &rst
  ixpk= 351, nxpk= 10, iat=  -1,1243, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1194,1195,1893,1894,
 &end
#
#   80 HIS  HB+          81 ASP  HN          5.50    (#    352:10  Unique         4.16, 4.37 A)
 &rst
  ixpk= 352, nxpk= 10, iat=  -1,1243, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1230,1231,
 &end
#
#   74 TYR  HN           73 LYS  HN          5.50    (#    353:10  Unique         2.20, 3.77 A)
 &rst
  ixpk= 353, nxpk= 10, iat=1122,1100, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   72 ASP  HA           73 LYS  HN          3.50    (#    354:10  Unique         2.53, 2.77 A)
 &rst
  ixpk= 354, nxpk= 10, iat=1090,1100, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   73 LYS  HA           73 LYS  HN          3.50    (#    355:10  Unique         2.28, 2.84 A)
 &rst
  ixpk= 355, nxpk= 10, iat=1102,1100, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   72 ASP  HB-          73 LYS  HN          3.50    (#    356:10  Unique         1.92, 2.91 A)
 &rst
  ixpk= 356, nxpk= 10, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1092,1093,
 &end
#
#   73 LYS  HB-          73 LYS  HN          3.50    (#    357:10  Unique         2.18, 3.22 A)
 &rst
  ixpk= 357, nxpk= 10, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1104,1105,
 &end
#
#    0 AMB  10-2:358     73 LYS  HN          3.50    (#    358:10  Single Ambig)
 &rst
  ixpk= 358, nxpk= 10, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1107,1108,1110,1111,
 &end
#
#   73 LYS  HG+          73 LYS  HN          4.50    (#    359:10  Unique         2.03, 3.55 A)
 &rst
  ixpk= 359, nxpk= 10, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1107,1108,
 &end
#
#   24 TRP  HD1         114 GLU  HN          4.50    (#    360:10  Unique         3.07, 3.47 A)
 &rst
  ixpk= 360, nxpk= 10, iat= 406,1767, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  113 CYS  HN          114 GLU  HN          3.50    (#    361:10  Unique         2.92, 3.02 A)
 &rst
  ixpk= 361, nxpk= 10, iat=1756,1767, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  115 HIS  HN          114 GLU  HN          3.50    (#    362:10  Unique         2.62, 2.73 A)
 &rst
  ixpk= 362, nxpk= 10, iat=1782,1767, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  113 CYS  HA          114 GLU  HN          4.50    (#    363:10  Unique         3.56, 3.57 A)
 &rst
  ixpk= 363, nxpk= 10, iat=1758,1767, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  113 CYS  HB-         114 GLU  HN          3.50    (#    364:10  Unique         2.11, 2.83 A)
 &rst
  ixpk= 364, nxpk= 10, iat=  -1,1767, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1760,1761,
 &end
#
#    0 AMB  10-2:365    114 GLU  HN          3.50    (#    365:10  Single Ambig)
 &rst
  ixpk= 365, nxpk= 10, iat=  -1,1767, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1760,1761, 402, 403,
 &end
#
#  114 GLU  HA          114 GLU  HN          3.50    (#    366:10  Unique         2.76, 2.78 A)
 &rst
  ixpk= 366, nxpk= 10, iat=1769,1767, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  114 GLU  HB-         114 GLU  HN          2.80    (#    367:10  Unique         2.14, 2.56 A)
 &rst
  ixpk= 367, nxpk= 10, iat=  -1,1767, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1771,1772,
 &end
#
#  114 GLU  HB+         114 GLU  HN          2.80    (#    368:10  Unique         2.14, 2.56 A)
 &rst
  ixpk= 368, nxpk= 10, iat=  -1,1767, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1771,1772,
 &end
#
#  114 GLU  HG-         114 GLU  HN          5.50    (#    369:10  Unique         2.91, 4.29 A)
 &rst
  ixpk= 369, nxpk= 10, iat=  -1,1767, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1774,1775,
 &end
#
#    4 PRO  HD-           5 ILE  HN          5.50    (#    371:10  Unique         2.84, 3.69 A)
 &rst
  ixpk= 371, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  56,  57,
 &end
#
#    4 PRO  HB+           5 ILE  HN          4.50    (#    372:10  Unique         1.88, 3.40 A)
 &rst
  ixpk= 372, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=  62,  63,
 &end
#
#    4 PRO  HG-           5 ILE  HN          5.50    (#    373:10  Unique         1.79, 3.20 A)
 &rst
  ixpk= 373, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  59,  60,
 &end
#
#    4 PRO  HB-           5 ILE  HN          3.50    (#    374:10  Unique         1.88, 3.40 A)
 &rst
  ixpk= 374, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  62,  63,
 &end
#
#    5 ILE  HG1-          5 ILE  HN          3.50    (#    375:10  Unique         2.29, 3.13 A)
 &rst
  ixpk= 375, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  79,  80,
 &end
#
#    5 ILE  HG1+          5 ILE  HN          3.50    (#    376:10  Unique         2.29, 3.13 A)
 &rst
  ixpk= 376, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=  79,  80,
 &end
#
#    5 ILE  QG2           5 ILE  HN          4.50    (#    377:10  Unique         2.55, 4.18 A)
 &rst
  ixpk= 377, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=  75,  76,  77,
 &end
#
#    5 ILE  QD1           5 ILE  HN          5.50    (#    378:10  Unique         2.03, 4.75 A)
 &rst
  ixpk= 378, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  82,  83,  84,
 &end
#
#    8 PRO  HA            9 LYS  HN          2.80    (#    379:10  Unique         2.15, 2.27 A)
 &rst
  ixpk= 379, nxpk= 10, iat= 127, 131, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   12 ASP  HB-           9 LYS  HN          4.50    (#    381:10  Unique         2.89, 4.02 A)
 &rst
  ixpk= 381, nxpk= 10, iat=  -1, 131, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 178, 179,
 &end
#
#   12 ASP  HB+           9 LYS  HN          5.50    (#    382:10  Unique         2.89, 4.02 A)
 &rst
  ixpk= 382, nxpk= 10, iat=  -1, 131, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 178, 179,
 &end
#
#    9 LYS  HB+           9 LYS  HN          3.50    (#    384:10  Unique         2.12, 2.94 A)
 &rst
  ixpk= 384, nxpk= 10, iat=  -1, 131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 135, 136,
 &end
#
#    9 LYS  HG+           9 LYS  HN          3.50    (#    385:10  Unique         2.26, 3.73 A)
 &rst
  ixpk= 385, nxpk= 10, iat=  -1, 131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 138, 139,
 &end
#
#    8 PRO  HG+           9 LYS  HN          5.50    (#    386:10  Unique         3.89, 5.03 A)
 &rst
  ixpk= 386, nxpk= 10, iat=  -1, 131, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 121, 122,
 &end
#
#   76 VAL  MGX           9 LYS  HN          5.50    (#    387:10  Unique         2.84, 4.82 A)
 &rst
  ixpk= 387, nxpk= 10, iat=  -1, 131, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1166,1167,1168,1170,1171,1172,
 &end
#
#    8 PRO  HB-           9 LYS  HN          3.50    (#    388:10  Unique         2.01, 3.37 A)
 &rst
  ixpk= 388, nxpk= 10, iat=  -1, 131, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 124, 125,
 &end
#
#   11 GLY  HN           12 ASP  HN          2.80    (#    390:10  Unique         2.03, 2.56 A)
 &rst
  ixpk= 390, nxpk= 10, iat= 167, 174, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   13 LEU  HN           12 ASP  HN          5.50    (#    391:10  Unique         4.34, 4.46 A)
 &rst
  ixpk= 391, nxpk= 10, iat= 186, 174, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    9 LYS  HN           12 ASP  HN          5.50    (#    392:10  Unique         4.74, 5.48 A)
 &rst
  ixpk= 392, nxpk= 10, iat= 131, 174, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 TYR  HD           12 ASP  HN          3.50    (#    393:10  Unique         3.77, 4.75 A)
 &rst
  ixpk= 393, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 459, 468,
 &end
#
#   12 ASP  HA           12 ASP  HN          3.50    (#    394:10  Unique         2.92, 2.94 A)
 &rst
  ixpk= 394, nxpk= 10, iat= 176, 174, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:395     12 ASP  HN          5.50    (#    395:10  Single Ambig)
 &rst
  ixpk= 395, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 474, 453,
 &end
#
#   11 GLY  HA-          12 ASP  HN          3.50    (#    396:10  Unique         2.86, 3.22 A)
 &rst
  ixpk= 396, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 169, 170,
 &end
#
#   10 PRO  HA           12 ASP  HN          3.50    (#    397:10  Unique         3.23, 3.55 A)
 &rst
  ixpk= 397, nxpk= 10, iat= 163, 174, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 TYR  HB+          12 ASP  HN          3.50    (#    398:10  Unique         2.03, 3.02 A)
 &rst
  ixpk= 398, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 455, 456,
 &end
#
#   12 ASP  HB-          12 ASP  HN          2.80    (#    399:10  Unique         2.33, 3.10 A)
 &rst
  ixpk= 399, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 178, 179,
 &end
#
#   27 TYR  HB-          12 ASP  HN          4.50    (#    400:10  Unique         2.03, 3.02 A)
 &rst
  ixpk= 400, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 455, 456,
 &end
#
#   12 ASP  HB+          12 ASP  HN          3.50    (#    401:10  Unique         2.33, 3.10 A)
 &rst
  ixpk= 401, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 178, 179,
 &end
#
#    9 LYS  HB+          12 ASP  HN          5.50    (#    403:10  Unique         4.70, 5.49 A)
 &rst
  ixpk= 403, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 135, 136,
 &end
#
#    0 AMB  10-2:404     12 ASP  HN          4.50    (#    404:10  Single Ambig)
 &rst
  ixpk= 404, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1166,1167,1168,1170,1171,1172,1425,1426,1427,
 &end
#
#    0 AMB  10-2:405     12 ASP  HN          5.50    (#    405:10  Single Ambig)
 &rst
  ixpk= 405, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1444,1445,1446, 195, 196, 197, 199, 200, 201,
 &end
#
#    0 AMB  10-2:406     12 ASP  HN          4.50    (#    406:10  Single Ambig)
 &rst
  ixpk= 406, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 442, 443,1418,1419,1420, 445, 446, 447,
 &end
#
#    0 AMB  10-2:407     12 ASP  HN          5.50    (#    407:10  Single Ambig)
 &rst
  ixpk= 407, nxpk= 10, iat=  -1, 174, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1= 218, 219, 220, 478, 479, 480, 482, 483, 484,
 &end
#
#   69 ALA  HN           68 VAL  HN          3.50    (#    408:10  Unique         2.43, 2.73 A)
 &rst
  ixpk= 408, nxpk= 10, iat=1060,1044, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:409     68 VAL  HN          5.50    (#    409:10  Single Ambig)
 &rst
  ixpk= 409, nxpk= 10, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1070,1019,1028,
 &end
#
#   65 LEU  HA           68 VAL  HN          3.50    (#    410:10  Unique         2.95, 3.06 A)
 &rst
  ixpk= 410, nxpk= 10, iat= 994,1044, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 VAL  HA           68 VAL  HN          3.50    (#    411:10  Unique         2.79, 2.84 A)
 &rst
  ixpk= 411, nxpk= 10, iat=1046,1044, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:412     68 VAL  HN          5.50    (#    412:10  Single Ambig)
 &rst
  ixpk= 412, nxpk= 10, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 977, 978, 996, 997,
 &end
#
#   63 GLU  HB+          68 VAL  HN          5.50    (#    413:10  Unique         3.96, 4.66 A)
 &rst
  ixpk= 413, nxpk= 10, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 962, 963,
 &end
#
#   68 VAL  HB           68 VAL  HN          2.80    (#    414:10  Unique         2.47, 2.56 A)
 &rst
  ixpk= 414, nxpk= 10, iat=1048,1044, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   68 VAL  HN           69 ALA  HN          3.50    (#    421:10  Unique         2.43, 2.73 A)
 &rst
  ixpk= 421, nxpk= 10, iat=1044,1060, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   70 GLY  HN           69 ALA  HN          3.50    (#    422:10  Unique         2.27, 2.95 A)
 &rst
  ixpk= 422, nxpk= 10, iat=1070,1060, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 ALA  HA           69 ALA  HN          3.50    (#    423:10  Unique         2.73, 2.78 A)
 &rst
  ixpk= 423, nxpk= 10, iat=1062,1060, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:424      0 AMB  10-1:424    4.50    (#    424:10  Double Ambig)
 &rst
  ixpk= 424, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1046,1803,1804,
 igr2=1060,1756,
 &end
#
#   68 VAL  HB           69 ALA  HN          3.50    (#    425:10  Unique         2.01, 2.32 A)
 &rst
  ixpk= 425, nxpk= 10, iat=1048,1060, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   69 ALA  MB           69 ALA  HN          2.80    (#    426:10  Unique         2.08, 2.90 A)
 &rst
  ixpk= 426, nxpk= 10, iat=  -1,1060, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1064,1065,1066,
 &end
#
#    0 AMB  10-2:427     69 ALA  HN          3.50    (#    427:10  Single Ambig)
 &rst
  ixpk= 427, nxpk= 10, iat=  -1,1060, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
      1055,1056,
 &end
#
#   65 LEU  MDX          69 ALA  HN          4.50    (#    428:10  Unique         2.04, 4.75 A)
 &rst
  ixpk= 428, nxpk= 10, iat=  -1,1060, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1001,1002,1003,1005,1006,1007,
 &end
#
#   67 ASP  HN           68 VAL  HN          2.80    (#    429:10  Unique         2.14, 2.25 A)
 &rst
  ixpk= 429, nxpk= 10, iat=1032,1044, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   67 ASP  HA           68 VAL  HN          4.50    (#    430:10  Unique         3.44, 3.49 A)
 &rst
  ixpk= 430, nxpk= 10, iat=1034,1044, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:431     68 VAL  HN          2.80    (#    431:10  Single Ambig)
 &rst
  ixpk= 431, nxpk= 10, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1036,1037,1036,1037,
 &end
#
#   69 ALA  MB           68 VAL  HN          4.50    (#    432:10  Unique         4.40, 5.39 A)
 &rst
  ixpk= 432, nxpk= 10, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1064,1065,1066,
 &end
#
#    0 AMB  10-2:433     68 VAL  HN          2.80    (#    433:10  Single Ambig)
 &rst
  ixpk= 433, nxpk= 10, iat=  -1,1044, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
      1055,1056,
 &end
#
#   93 ILE  HN           92 ILE  HN          3.50    (#    435:10  Unique         2.73, 2.90 A)
 &rst
  ixpk= 435, nxpk= 10, iat=1431,1412, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 LYS  HN           92 ILE  HN          2.80    (#    436:10  Unique         2.61, 2.78 A)
 &rst
  ixpk= 436, nxpk= 10, iat=1390,1412, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   91 LYS  HA           92 ILE  HN          4.50    (#    437:10  Unique         3.49, 3.55 A)
 &rst
  ixpk= 437, nxpk= 10, iat=1392,1412, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:438     92 ILE  HN          3.50    (#    438:10  Single Ambig)
 &rst
  ixpk= 438, nxpk= 10, iat=  -1,1412, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1370,1383,1384,1885,
 &end
#
#   92 ILE  HA           92 ILE  HN          3.50    (#    439:10  Unique         2.73, 2.77 A)
 &rst
  ixpk= 439, nxpk= 10, iat=1414,1412, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   91 LYS  HB+          92 ILE  HN          3.50    (#    440:10  Unique         2.41, 2.95 A)
 &rst
  ixpk= 440, nxpk= 10, iat=  -1,1412, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1394,1395,
 &end
#
#   92 ILE  HB           92 ILE  HN          2.80    (#    441:10  Unique         2.33, 2.50 A)
 &rst
  ixpk= 441, nxpk= 10, iat=1416,1412, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   92 ILE  HG1+         92 ILE  HN          2.80    (#    442:10  Unique         1.88, 3.03 A)
 &rst
  ixpk= 442, nxpk= 10, iat=  -1,1412, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1422,1423,
 &end
#
#   92 ILE  HG1-         92 ILE  HN          3.50    (#    443:10  Unique         1.88, 3.03 A)
 &rst
  ixpk= 443, nxpk= 10, iat=  -1,1412, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1422,1423,
 &end
#
#   92 ILE  QD1          92 ILE  HN          3.50    (#    444:10  Unique         2.17, 3.83 A)
 &rst
  ixpk= 444, nxpk= 10, iat=  -1,1412, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1425,1426,1427,
 &end
#
#    0 AMB  10-2:445     92 ILE  HN          3.50    (#    445:10  Single Ambig)
 &rst
  ixpk= 445, nxpk= 10, iat=  -1,1412, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1344,1345,1346,1348,1349,1350,1418,1419,1420,
 &end
#
#   78 ASN  HD2-         13 LEU  HN          3.50    (#    446:10  Unique         1.90, 3.01 A)
 &rst
  ixpk= 446, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1199,1200,
 &end
#
#   12 ASP  HA           13 LEU  HN          2.80    (#    447:10  Unique         2.15, 2.27 A)
 &rst
  ixpk= 447, nxpk= 10, iat= 176, 186, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   13 LEU  HB+          13 LEU  HN          2.80    (#    448:10  Unique         2.13, 2.92 A)
 &rst
  ixpk= 448, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 190, 191,
 &end
#
#   13 LEU  HB-          13 LEU  HN          3.50    (#    449:10  Unique         2.13, 2.92 A)
 &rst
  ixpk= 449, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 190, 191,
 &end
#
#   13 LEU  HG           13 LEU  HN          3.50    (#    450:10  Unique         2.46, 3.27 A)
 &rst
  ixpk= 450, nxpk= 10, iat= 193, 186, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   76 VAL  MGY          13 LEU  HN          3.50    (#    451:10  Unique         2.85, 5.70 A)
 &rst
  ixpk= 451, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1166,1167,1168,1170,1171,1172,
 &end
#
#   13 LEU  MDY          13 LEU  HN          3.50    (#    452:10  Unique         1.93, 4.31 A)
 &rst
  ixpk= 452, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 195, 196, 197, 199, 200, 201,
 &end
#
#    0 AMB  10-2:453    113 CYS  HN          2.80    (#    453:10  Single Ambig)
 &rst
  ixpk= 453, nxpk= 10, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1742,1767,
 &end
#
#  109 THR  HN          113 CYS  HN          5.50    (#    454:10  Unique         2.55, 3.89 A)
 &rst
  ixpk= 454, nxpk= 10, iat=1702,1756, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  112 ASN  HA          113 CYS  HN          5.50    (#    456:10  Unique         3.52, 3.56 A)
 &rst
  ixpk= 456, nxpk= 10, iat=1744,1756, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  113 CYS  HA          113 CYS  HN          3.50    (#    457:10  Unique         2.73, 2.75 A)
 &rst
  ixpk= 457, nxpk= 10, iat=1758,1756, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  113 CYS  HB-         113 CYS  HN          2.80    (#    458:10  Unique         2.22, 3.05 A)
 &rst
  ixpk= 458, nxpk= 10, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1760,1761,
 &end
#
#  113 CYS  HB+         113 CYS  HN          3.50    (#    459:10  Unique         2.22, 3.05 A)
 &rst
  ixpk= 459, nxpk= 10, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1760,1761,
 &end
#
#  112 ASN  HB-         113 CYS  HN          4.50    (#    460:10  Unique         2.19, 2.83 A)
 &rst
  ixpk= 460, nxpk= 10, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1746,1747,
 &end
#
#  112 ASN  HB+         113 CYS  HN          3.50    (#    461:10  Unique         2.19, 2.83 A)
 &rst
  ixpk= 461, nxpk= 10, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1746,1747,
 &end
#
#    0 AMB  10-2:462      0 AMB  10-1:462    5.50    (#    462:10  Double Ambig)
 &rst
  ixpk= 462, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 996, 997,1687,1688,1771,1772,
 igr2=1060,1756,
 &end
#
#    0 AMB  10-2:463      0 AMB  10-1:463    5.50    (#    463:10  Double Ambig)
 &rst
  ixpk= 463, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 249, 250,1687,1688,1771,1772,
 igr2=1060,1756,
 &end
#
#   36 LEU  HG          113 CYS  HN          5.50    (#    464:10  Unique         3.94, 4.64 A)
 &rst
  ixpk= 464, nxpk= 10, iat= 591,1756, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   55 THR  HN           54 LEU  HN          4.50    (#    465:10  Unique         1.90, 3.38 A)
 &rst
  ixpk= 465, nxpk= 10, iat= 821, 802, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  115 HIS  HA          119 GLU  HN          5.50    (#    467:10  Unique         4.28, 4.69 A)
 &rst
  ixpk= 467, nxpk= 10, iat=1784,1849, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  118 ASN  HN          119 GLU  HN          2.80    (#    468:10  Unique         2.63, 2.70 A)
 &rst
  ixpk= 468, nxpk= 10, iat=1835,1849, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  120 LEU  HN          119 GLU  HN          3.50    (#    469:10  Unique         2.51, 2.59 A)
 &rst
  ixpk= 469, nxpk= 10, iat=1864,1849, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 ASN  HA          119 GLU  HN          3.50    (#    470:10  Unique         3.49, 3.51 A)
 &rst
  ixpk= 470, nxpk= 10, iat=1837,1849, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   52 SER  HB+          54 LEU  HN          4.50    (#    471:10  Unique         3.32, 4.82 A)
 &rst
  ixpk= 471, nxpk= 10, iat=  -1, 802, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 785, 786,
 &end
#
#    0 AMB  10-2:472      0 AMB  10-1:472    5.50    (#    472:10  Double Ambig)
 &rst
  ixpk= 472, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 785, 786,1821,
 igr2= 802,1849,
 &end
#
#  119 GLU  HA          119 GLU  HN          3.50    (#    473:10  Unique         2.79, 2.82 A)
 &rst
  ixpk= 473, nxpk= 10, iat=1851,1849, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 ASN  HB-         119 GLU  HN          3.50    (#    474:10  Unique         2.73, 3.17 A)
 &rst
  ixpk= 474, nxpk= 10, iat=  -1,1849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1839,1840,
 &end
#
#  118 ASN  HB+         119 GLU  HN          3.50    (#    475:10  Unique         2.73, 3.17 A)
 &rst
  ixpk= 475, nxpk= 10, iat=  -1,1849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1839,1840,
 &end
#
#  119 GLU  HG+         119 GLU  HN          3.50    (#    476:10  Unique         1.97, 2.92 A)
 &rst
  ixpk= 476, nxpk= 10, iat=  -1,1849, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1856,1857,
 &end
#
#    0 AMB  10-2:477    119 GLU  HN          2.80    (#    477:10  Single Ambig)
 &rst
  ixpk= 477, nxpk= 10, iat=  -1,1849, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1856,1857,1853,1854,
 &end
#
#    0 AMB  10-2:478    119 GLU  HN          4.50    (#    478:10  Single Ambig)
 &rst
  ixpk= 478, nxpk= 10, iat=  -1,1849, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1871,1825,1826,1827,1829,1830,1831,
 &end
#
#  125 ALA  MB          119 GLU  HN          5.50    (#    479:10  Unique         2.89, 4.59 A)
 &rst
  ixpk= 479, nxpk= 10, iat=  -1,1849, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1955,1956,1957,
 &end
#
#   33 VAL  HN           32 TYR  HN          5.50    (#    480:10  Unique         4.08, 4.49 A)
 &rst
  ixpk= 480, nxpk= 10, iat= 535, 514, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   31 GLY  HN           32 TYR  HN          2.80    (#    481:10  Unique         1.86, 2.44 A)
 &rst
  ixpk= 481, nxpk= 10, iat= 507, 514, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   32 TYR  HD           32 TYR  HN          2.80    (#    482:10  Unique         3.32, 3.66 A)
 &rst
  ixpk= 482, nxpk= 10, iat=  -1, 514, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 522, 531,
 &end
#
#   33 VAL  HA           32 TYR  HN          5.50    (#    484:10  Unique         4.92, 5.57 A)
 &rst
  ixpk= 484, nxpk= 10, iat= 537, 514, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   32 TYR  HA           32 TYR  HN          3.50    (#    485:10  Unique         2.68, 2.74 A)
 &rst
  ixpk= 485, nxpk= 10, iat= 516, 514, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   31 GLY  HA-          32 TYR  HN          3.50    (#    486:10  Unique         2.59, 3.19 A)
 &rst
  ixpk= 486, nxpk= 10, iat=  -1, 514, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 509, 510,
 &end
#
#   64 LEU  HA           32 TYR  HN          5.50    (#    487:10  Unique         3.38, 4.00 A)
 &rst
  ixpk= 487, nxpk= 10, iat= 975, 514, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   31 GLY  HA+          32 TYR  HN          4.50    (#    488:10  Unique         2.59, 3.19 A)
 &rst
  ixpk= 488, nxpk= 10, iat=  -1, 514, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 509, 510,
 &end
#
#   32 TYR  HB-          32 TYR  HN          2.80    (#    489:10  Unique         2.31, 3.05 A)
 &rst
  ixpk= 489, nxpk= 10, iat=  -1, 514, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 518, 519,
 &end
#
#   32 TYR  HB+          32 TYR  HN          3.50    (#    490:10  Unique         2.31, 3.05 A)
 &rst
  ixpk= 490, nxpk= 10, iat=  -1, 514, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 518, 519,
 &end
#
#   28 VAL  MGY          32 TYR  HN          4.50    (#    491:10  Unique         3.23, 5.35 A)
 &rst
  ixpk= 491, nxpk= 10, iat=  -1, 514, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 478, 479, 480, 482, 483, 484,
 &end
#
#   64 LEU  MDX          32 TYR  HN          5.50    (#    492:10  Unique         2.51, 5.71 A)
 &rst
  ixpk= 492, nxpk= 10, iat=  -1, 514, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 982, 983, 984, 986, 987, 988,
 &end
#
#   26 ILE  HN           34 VAL  HN          3.50    (#    493:10  Unique         2.74, 2.93 A)
 &rst
  ixpk= 493, nxpk= 10, iat= 432, 551, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 VAL  HA           34 VAL  HN          3.50    (#    494:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 494, nxpk= 10, iat= 553, 551, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 VAL  HA           34 VAL  HN          2.80    (#    495:10  Unique         2.19, 2.24 A)
 &rst
  ixpk= 495, nxpk= 10, iat= 537, 551, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   27 TYR  HA           34 VAL  HN          4.50    (#    496:10  Unique         3.77, 4.14 A)
 &rst
  ixpk= 496, nxpk= 10, iat= 453, 551, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   33 VAL  HB           34 VAL  HN          3.50    (#    497:10  Unique         2.46, 2.88 A)
 &rst
  ixpk= 497, nxpk= 10, iat= 539, 551, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   34 VAL  HB           34 VAL  HN          3.50    (#    498:10  Unique         2.77, 2.87 A)
 &rst
  ixpk= 498, nxpk= 10, iat= 555, 551, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:499     34 VAL  HN          5.50    (#    499:10  Single Ambig)
 &rst
  ixpk= 499, nxpk= 10, iat=  -1, 551, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 436, 215, 216,
 &end
#
#    0 AMB  10-2:500     34 VAL  HN          5.50    (#    500:10  Single Ambig)
 &rst
  ixpk= 500, nxpk= 10, iat=  -1, 551, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1495,1496,1497,1825,1826,1827,1829,1830,1831,
 &end
#
#    0 AMB  10-2:501     34 VAL  HN          4.50    (#    501:10  Single Ambig)
 &rst
  ixpk= 501, nxpk= 10, iat=  -1, 551, r1= 0.00, r2= 1.80, r3= 6.71, r4= 7.46,
 igr1= 426, 427, 428,1825,1826,1827,1829,1830,1831, 215,
       216,
 &end
#
#   34 VAL  MGY          34 VAL  HN          2.80    (#    502:10  Unique         1.99, 3.78 A)
 &rst
  ixpk= 502, nxpk= 10, iat=  -1, 551, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 557, 558, 559, 561, 562, 563,
 &end
#
#   28 VAL  MGY          34 VAL  HN          3.50    (#    503:10  Unique         2.84, 4.75 A)
 &rst
  ixpk= 503, nxpk= 10, iat=  -1, 551, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 478, 479, 480, 482, 483, 484,
 &end
#
#   33 VAL  MGY          34 VAL  HN          3.50    (#    504:10  Unique         2.94, 4.67 A)
 &rst
  ixpk= 504, nxpk= 10, iat=  -1, 551, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 541, 542, 543, 545, 546, 547,
 &end
#
#   84 TYR  HB+          83 LYS  HN          5.50    (#    505:10  Unique         3.92, 5.32 A)
 &rst
  ixpk= 505, nxpk= 10, iat=  -1,1267, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1293,1294,
 &end
#
#   82 ASP  HN           83 LYS  HN          2.80    (#    506:10  Unique         1.89, 2.03 A)
 &rst
  ixpk= 506, nxpk= 10, iat=1255,1267, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   84 TYR  HN           83 LYS  HN          2.80    (#    507:10  Unique         1.85, 2.11 A)
 &rst
  ixpk= 507, nxpk= 10, iat=1289,1267, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   80 HIS  HA           83 LYS  HN          3.50    (#    508:10  Unique         3.51, 3.60 A)
 &rst
  ixpk= 508, nxpk= 10, iat=1228,1267, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   84 TYR  HA           83 LYS  HN          5.50    (#    509:10  Unique         4.62, 4.82 A)
 &rst
  ixpk= 509, nxpk= 10, iat=1291,1267, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   83 LYS  HA           83 LYS  HN          3.50    (#    510:10  Unique         2.88, 2.92 A)
 &rst
  ixpk= 510, nxpk= 10, iat=1269,1267, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:511     83 LYS  HN          5.50    (#    511:10  Single Ambig)
 &rst
  ixpk= 511, nxpk= 10, iat=  -1,1267, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1230,1231,1293,1294,
 &end
#
#   82 ASP  HB+          83 LYS  HN          3.50    (#    512:10  Unique         2.83, 3.40 A)
 &rst
  ixpk= 512, nxpk= 10, iat=  -1,1267, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1259,1260,
 &end
#
#   83 LYS  HB+          83 LYS  HN          2.80    (#    513:10  Unique         2.38, 3.22 A)
 &rst
  ixpk= 513, nxpk= 10, iat=  -1,1267, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1271,1272,
 &end
#
#   83 LYS  HG-          83 LYS  HN          3.50    (#    514:10  Unique         1.88, 2.85 A)
 &rst
  ixpk= 514, nxpk= 10, iat=  -1,1267, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1274,1275,
 &end
#
#  101 GLY  HN          102 GLN  HN          3.50    (#    515:10  Unique         2.25, 2.42 A)
 &rst
  ixpk= 515, nxpk= 10, iat=1566,1573, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  101 GLY  HA+         102 GLN  HN          3.50    (#    516:10  Unique         2.91, 3.27 A)
 &rst
  ixpk= 516, nxpk= 10, iat=  -1,1573, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1568,1569,
 &end
#
#  102 GLN  HA          102 GLN  HN          3.50    (#    517:10  Unique         2.90, 2.93 A)
 &rst
  ixpk= 517, nxpk= 10, iat=1575,1573, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  101 GLY  HA-         102 GLN  HN          3.50    (#    518:10  Unique         2.91, 3.27 A)
 &rst
  ixpk= 518, nxpk= 10, iat=  -1,1573, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1568,1569,
 &end
#
#  100 VAL  HA          102 GLN  HN          3.50    (#    519:10  Unique         3.09, 3.25 A)
 &rst
  ixpk= 519, nxpk= 10, iat=1552,1573, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:520    102 GLN  HN          2.80    (#    520:10  Single Ambig)
 &rst
  ixpk= 520, nxpk= 10, iat=  -1,1573, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1580,1581, 902,
 &end
#
#  102 GLN  HB+         102 GLN  HN          2.80    (#    521:10  Unique         2.25, 3.13 A)
 &rst
  ixpk= 521, nxpk= 10, iat=  -1,1573, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1577,1578,
 &end
#
#    0 AMB  10-2:522    102 GLN  HN          4.50    (#    522:10  Single Ambig)
 &rst
  ixpk= 522, nxpk= 10, iat=  -1,1573, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1=1556,1557,1558,1560,1561,1562, 889, 890,
 &end
#
#   60 VAL  MGX         102 GLN  HN          4.50    (#    523:10  Unique         3.23, 4.79 A)
 &rst
  ixpk= 523, nxpk= 10, iat=  -1,1573, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  10-2:524    102 GLN  HN          3.50    (#    524:10  Single Ambig)
 &rst
  ixpk= 524, nxpk= 10, iat=  -1,1573, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 904, 905, 906, 908, 909, 910, 885, 886, 887,
 &end
#
#  103 GLU  HA          103 GLU  HN          3.50    (#    525:10  Unique         2.94, 2.94 A)
 &rst
  ixpk= 525, nxpk= 10, iat=1592,1590, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:526    103 GLU  HN          5.50    (#    526:10  Single Ambig)
 &rst
  ixpk= 526, nxpk= 10, iat=  -1,1590, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1607,1568,1569,
 &end
#
#  102 GLN  HA          103 GLU  HN          2.80    (#    527:10  Unique         2.38, 2.46 A)
 &rst
  ixpk= 527, nxpk= 10, iat=1575,1590, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  103 GLU  HG-         103 GLU  HN          3.50    (#    528:10  Unique         2.70, 3.55 A)
 &rst
  ixpk= 528, nxpk= 10, iat=  -1,1590, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1597,1598,
 &end
#
#  102 GLN  HB+         103 GLU  HN          2.80    (#    529:10  Unique         2.14, 3.06 A)
 &rst
  ixpk= 529, nxpk= 10, iat=  -1,1590, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1577,1578,
 &end
#
#  103 GLU  HB+         103 GLU  HN          2.80    (#    530:10  Unique         2.68, 3.30 A)
 &rst
  ixpk= 530, nxpk= 10, iat=  -1,1590, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1594,1595,
 &end
#
#    0 AMB  10-2:531    103 GLU  HN          4.50    (#    531:10  Single Ambig)
 &rst
  ixpk= 531, nxpk= 10, iat=  -1,1590, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 885, 886, 887, 904, 905, 906, 908, 909, 910,
 &end
#
#   98 GLU  HN           96 ALA  HN          5.50    (#    532:10  Unique         3.73, 3.79 A)
 &rst
  ixpk= 532, nxpk= 10, iat=1516,1491, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   95 ARG  HN           96 ALA  HN          3.50    (#    533:10  Unique         2.39, 2.67 A)
 &rst
  ixpk= 533, nxpk= 10, iat=1467,1491, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:534     96 ALA  HN          5.50    (#    534:10  Single Ambig)
 &rst
  ixpk= 534, nxpk= 10, iat=  -1,1491, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1450,1462,1463,
 &end
#
#    0 AMB  10-2:535     96 ALA  HN          3.50    (#    535:10  Single Ambig)
 &rst
  ixpk= 535, nxpk= 10, iat=  -1,1491, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1469,1452,
 &end
#
#   96 ALA  HA           96 ALA  HN          3.50    (#    536:10  Unique         2.75, 2.77 A)
 &rst
  ixpk= 536, nxpk= 10, iat=1493,1491, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   93 ILE  HA           96 ALA  HN          4.50    (#    537:10  Unique         3.17, 3.50 A)
 &rst
  ixpk= 537, nxpk= 10, iat=1433,1491, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   97 GLU  HG+          96 ALA  HN          4.50    (#    538:10  Unique         4.26, 5.06 A)
 &rst
  ixpk= 538, nxpk= 10, iat=  -1,1491, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1508,1509,
 &end
#
#   95 ARG  HB+          96 ALA  HN          2.80    (#    540:10  Unique         2.43, 3.05 A)
 &rst
  ixpk= 540, nxpk= 10, iat=  -1,1491, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1471,1472,
 &end
#
#    0 AMB  10-2:541     96 ALA  HN          5.50    (#    541:10  Single Ambig)
 &rst
  ixpk= 541, nxpk= 10, iat=  -1,1491, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1535,1536, 555,
 &end
#
#   96 ALA  MB           96 ALA  HN          2.80    (#    542:10  Unique         2.06, 2.87 A)
 &rst
  ixpk= 542, nxpk= 10, iat=  -1,1491, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1495,1496,1497,
 &end
#
#    0 AMB  10-2:543     96 ALA  HN          3.50    (#    543:10  Single Ambig)
 &rst
  ixpk= 543, nxpk= 10, iat=  -1,1491, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1868,1869,1540,1541,1542,1544,1545,1546,
 &end
#
#    0 AMB  10-2:544     96 ALA  HN          4.50    (#    544:10  Single Ambig)
 &rst
  ixpk= 544, nxpk= 10, iat=  -1,1491, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1= 478, 479, 480, 482, 483, 484,1444,1445,1446,
 &end
#
#  120 LEU  MDX          96 ALA  HN          3.50    (#    545:10  Unique         3.32, 5.05 A)
 &rst
  ixpk= 545, nxpk= 10, iat=  -1,1491, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
#  120 LEU  MDY          96 ALA  HN          5.50    (#    546:10  Unique         3.32, 5.05 A)
 &rst
  ixpk= 546, nxpk= 10, iat=  -1,1491, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
#   83 LYS  HN           84 TYR  HN          2.80    (#    547:10  Unique         1.85, 2.11 A)
 &rst
  ixpk= 547, nxpk= 10, iat=1267,1289, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   84 TYR  HD           84 TYR  HN          3.50    (#    548:10  Unique         1.87, 3.88 A)
 &rst
  ixpk= 548, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1297,1306,
 &end
#
#   84 TYR  HA           84 TYR  HN          3.50    (#    549:10  Unique         2.81, 2.90 A)
 &rst
  ixpk= 549, nxpk= 10, iat=1291,1289, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 LYS  HA           84 TYR  HN          3.50    (#    550:10  Unique         3.38, 3.46 A)
 &rst
  ixpk= 550, nxpk= 10, iat=1269,1289, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:551     84 TYR  HN          3.50    (#    551:10  Single Ambig)
 &rst
  ixpk= 551, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1293,1294,1230,1231,
 &end
#
#   84 TYR  HB+          84 TYR  HN          3.50    (#    552:10  Unique         2.33, 3.44 A)
 &rst
  ixpk= 552, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1293,1294,
 &end
#
#    0 AMB  10-2:553     84 TYR  HN          3.50    (#    553:10  Single Ambig)
 &rst
  ixpk= 553, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1310,1255,
 &end
#
#   81 ASP  HA           84 TYR  HN          3.50    (#    556:10  Unique         3.55, 3.66 A)
 &rst
  ixpk= 556, nxpk= 10, iat=1245,1289, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   80 HIS  HB+          84 TYR  HN          5.50    (#    557:10  Unique         2.69, 4.12 A)
 &rst
  ixpk= 557, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1230,1231,
 &end
#
#   83 LYS  HB+          84 TYR  HN          3.50    (#    558:10  Unique         2.88, 3.80 A)
 &rst
  ixpk= 558, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1271,1272,
 &end
#
#   83 LYS  HG-          84 TYR  HN          5.50    (#    559:10  Unique         2.11, 3.56 A)
 &rst
  ixpk= 559, nxpk= 10, iat=  -1,1289, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1274,1275,
 &end
#
#  111 GLU  HN          112 ASN  HN          3.50    (#    561:10  Unique         2.23, 2.40 A)
 &rst
  ixpk= 561, nxpk= 10, iat=1727,1742, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  113 CYS  HN          112 ASN  HN          3.50    (#    562:10  Unique         2.25, 2.76 A)
 &rst
  ixpk= 562, nxpk= 10, iat=1756,1742, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 ASN  HD2+        112 ASN  HN          5.50    (#    563:10  Unique         3.48, 4.37 A)
 &rst
  ixpk= 563, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1751,1752,
 &end
#
#  109 THR  HN          112 ASN  HN          3.50    (#    564:10  Unique         3.44, 3.54 A)
 &rst
  ixpk= 564, nxpk= 10, iat=1702,1742, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 ASN  HD2-        112 ASN  HN          5.50    (#    565:10  Unique         3.48, 4.37 A)
 &rst
  ixpk= 565, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1751,1752,
 &end
#
#  109 THR  HB          112 ASN  HN          3.50    (#    567:10  Unique         2.30, 3.10 A)
 &rst
  ixpk= 567, nxpk= 10, iat=1706,1742, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  112 ASN  HA          112 ASN  HN          3.50    (#    568:10  Unique         2.76, 2.82 A)
 &rst
  ixpk= 568, nxpk= 10, iat=1744,1742, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  111 GLU  HA          112 ASN  HN          4.50    (#    569:10  Unique         3.37, 3.48 A)
 &rst
  ixpk= 569, nxpk= 10, iat=1729,1742, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  112 ASN  HB-         112 ASN  HN          2.80    (#    570:10  Unique         2.07, 2.87 A)
 &rst
  ixpk= 570, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1746,1747,
 &end
#
#  112 ASN  HB+         112 ASN  HN          3.50    (#    571:10  Unique         2.07, 2.87 A)
 &rst
  ixpk= 571, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1746,1747,
 &end
#
#    0 AMB  10-2:572    112 ASN  HN          5.50    (#    572:10  Single Ambig)
 &rst
  ixpk= 572, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1734,1735,1734,1735,
 &end
#
#  111 GLU  HB-         112 ASN  HN          3.50    (#    573:10  Unique         2.69, 3.34 A)
 &rst
  ixpk= 573, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1731,1732,
 &end
#
#  111 GLU  HB+         112 ASN  HN          3.50    (#    574:10  Unique         2.69, 3.34 A)
 &rst
  ixpk= 574, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1731,1732,
 &end
#
#  109 THR  MG2         112 ASN  HN          5.50    (#    575:10  Unique         4.25, 5.03 A)
 &rst
  ixpk= 575, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1708,1709,1710,
 &end
#
#   34 VAL  HN           26 ILE  HN          3.50    (#    576:10  Unique         2.74, 2.93 A)
 &rst
  ixpk= 576, nxpk= 10, iat= 551, 432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   26 ILE  HA           26 ILE  HN          3.50    (#    577:10  Unique         2.94, 2.95 A)
 &rst
  ixpk= 577, nxpk= 10, iat= 434, 432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   25 ALA  HA           26 ILE  HN          2.80    (#    578:10  Unique         2.42, 2.55 A)
 &rst
  ixpk= 578, nxpk= 10, iat= 424, 432, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   35 HIS  HB+          26 ILE  HN          3.50    (#    579:10  Unique         3.65, 4.41 A)
 &rst
  ixpk= 579, nxpk= 10, iat=  -1, 432, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 571, 572,
 &end
#
#   33 VAL  HB           26 ILE  HN          3.50    (#    580:10  Unique         2.75, 3.13 A)
 &rst
  ixpk= 580, nxpk= 10, iat= 539, 432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:581     26 ILE  HN          4.50    (#    581:10  Single Ambig)
 &rst
  ixpk= 581, nxpk= 10, iat=  -1, 432, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 555, 442, 443,
 &end
#
#   26 ILE  HB           26 ILE  HN          3.50    (#    582:10  Unique         2.62, 3.02 A)
 &rst
  ixpk= 582, nxpk= 10, iat= 436, 432, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:583     26 ILE  HN          2.80    (#    583:10  Single Ambig)
 &rst
  ixpk= 583, nxpk= 10, iat=  -1, 432, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 426, 427, 428,1825,1826,1827,1829,1830,1831,
 &end
#
#   26 ILE  QG2          26 ILE  HN          2.80    (#    585:10  Unique         2.03, 3.17 A)
 &rst
  ixpk= 585, nxpk= 10, iat=  -1, 432, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 438, 439, 440,
 &end
#
#    0 AMB  10-2:586     26 ILE  HN          4.50    (#    586:10  Single Ambig)
 &rst
  ixpk= 586, nxpk= 10, iat=  -1, 432, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 541, 542, 543, 545, 546, 547,1050,1051,1052,1054,
      1055,1056,
 &end
#
#  112 ASN  HN          111 GLU  HN          3.50    (#    587:10  Unique         2.23, 2.40 A)
 &rst
  ixpk= 587, nxpk= 10, iat=1742,1727, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  109 THR  HB          111 GLU  HN          2.80    (#    589:10  Unique         2.23, 2.57 A)
 &rst
  ixpk= 589, nxpk= 10, iat=1706,1727, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  110 SER  HB+         111 GLU  HN          2.80    (#    590:10  Unique         2.62, 3.46 A)
 &rst
  ixpk= 590, nxpk= 10, iat=  -1,1727, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1720,1721,
 &end
#
#    0 AMB  10-2:591    111 GLU  HN          3.50    (#    591:10  Single Ambig)
 &rst
  ixpk= 591, nxpk= 10, iat=  -1,1727, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1734,1735,1734,1735,
 &end
#
#  111 GLU  HB-         111 GLU  HN          2.80    (#    592:10  Unique         2.10, 2.86 A)
 &rst
  ixpk= 592, nxpk= 10, iat=  -1,1727, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1731,1732,
 &end
#
#  111 GLU  HB+         111 GLU  HN          3.50    (#    593:10  Unique         2.10, 2.86 A)
 &rst
  ixpk= 593, nxpk= 10, iat=  -1,1727, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1731,1732,
 &end
#
#  109 THR  MG2         111 GLU  HN          5.50    (#    594:10  Unique         3.44, 4.82 A)
 &rst
  ixpk= 594, nxpk= 10, iat=  -1,1727, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1708,1709,1710,
 &end
#
#   21 TYR  HN           22 ARG  HN          5.50    (#    595:10  Unique         2.98, 3.33 A)
 &rst
  ixpk= 595, nxpk= 10, iat= 336, 357, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   21 TYR  HD           22 ARG  HN          3.50    (#    596:10  Unique         1.78, 3.41 A)
 &rst
  ixpk= 596, nxpk= 10, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 344, 353,
 &end
#
#   21 TYR  HB-          22 ARG  HN          3.50    (#    598:10  Unique         1.79, 2.60 A)
 &rst
  ixpk= 598, nxpk= 10, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 340, 341,
 &end
#
#   21 TYR  HB+          22 ARG  HN          2.80    (#    599:10  Unique         1.79, 2.60 A)
 &rst
  ixpk= 599, nxpk= 10, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 340, 341,
 &end
#
#   22 ARG  HB-          22 ARG  HN          3.50    (#    600:10  Unique         3.01, 3.79 A)
 &rst
  ixpk= 600, nxpk= 10, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 361, 362,
 &end
#
#   22 ARG  HG+          22 ARG  HN          4.50    (#    601:10  Unique         2.34, 3.34 A)
 &rst
  ixpk= 601, nxpk= 10, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 364, 365,
 &end
#
#    0 AMB  10-2:602    115 HIS  HN          2.80    (#    602:10  Single Ambig)
 &rst
  ixpk= 602, nxpk= 10, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1799,1767,
 &end
#
#  112 ASN  HA          115 HIS  HN          3.50    (#    603:10  Unique         3.40, 3.51 A)
 &rst
  ixpk= 603, nxpk= 10, iat=1744,1782, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  115 HIS  HA          115 HIS  HN          2.80    (#    604:10  Unique         2.79, 2.81 A)
 &rst
  ixpk= 604, nxpk= 10, iat=1784,1782, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  111 GLU  HA          115 HIS  HN          4.50    (#    605:10  Unique         4.01, 4.18 A)
 &rst
  ixpk= 605, nxpk= 10, iat=1729,1782, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  115 HIS  HB+         115 HIS  HN          2.80    (#    606:10  Unique         2.07, 2.59 A)
 &rst
  ixpk= 606, nxpk= 10, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1786,1787,
 &end
#
#  114 GLU  HB-         115 HIS  HN          3.50    (#    607:10  Unique         2.55, 3.26 A)
 &rst
  ixpk= 607, nxpk= 10, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1771,1772,
 &end
#
#  114 GLU  HB+         115 HIS  HN          3.50    (#    608:10  Unique         2.55, 3.26 A)
 &rst
  ixpk= 608, nxpk= 10, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1771,1772,
 &end
#
#   97 GLU  HN           98 GLU  HN          2.80    (#    614:10  Unique         2.37, 2.48 A)
 &rst
  ixpk= 614, nxpk= 10, iat=1501,1516, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 LEU  HN           98 GLU  HN          2.80    (#    617:10  Unique         2.15, 2.20 A)
 &rst
  ixpk= 617, nxpk= 10, iat=1531,1516, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  100 VAL  HN           98 GLU  HN          5.50    (#    618:10  Unique         3.46, 3.69 A)
 &rst
  ixpk= 618, nxpk= 10, iat=1550,1516, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   98 GLU  HA           98 GLU  HN          2.80    (#    619:10  Unique         2.90, 2.92 A)
 &rst
  ixpk= 619, nxpk= 10, iat=1518,1516, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:620     98 GLU  HN          3.50    (#    620:10  Single Ambig)
 &rst
  ixpk= 620, nxpk= 10, iat=  -1,1516, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1508,1509,1523,1524,
 &end
#
#   98 GLU  HB-          98 GLU  HN          2.80    (#    621:10  Unique         2.15, 2.75 A)
 &rst
  ixpk= 621, nxpk= 10, iat=  -1,1516, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1520,1521,
 &end
#
#   98 GLU  HB+          98 GLU  HN          2.80    (#    622:10  Unique         2.15, 2.75 A)
 &rst
  ixpk= 622, nxpk= 10, iat=  -1,1516, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1520,1521,
 &end
#
#   96 ALA  MB           98 GLU  HN          5.50    (#    623:10  Unique         4.57, 5.00 A)
 &rst
  ixpk= 623, nxpk= 10, iat=  -1,1516, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1495,1496,1497,
 &end
#
#   99 LEU  MDY          98 GLU  HN          5.50    (#    624:10  Unique         4.01, 5.99 A)
 &rst
  ixpk= 624, nxpk= 10, iat=  -1,1516, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1540,1541,1542,1544,1545,1546,
 &end
#
#  101 GLY  HN          100 VAL  HN          5.50    (#    625:10  Unique         4.55, 4.62 A)
 &rst
  ixpk= 625, nxpk= 10, iat=1566,1550, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   98 GLU  HN          100 VAL  HN          5.50    (#    626:10  Unique         3.46, 3.69 A)
 &rst
  ixpk= 626, nxpk= 10, iat=1516,1550, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   99 LEU  HN          100 VAL  HN          2.80    (#    627:10  Unique         2.13, 2.17 A)
 &rst
  ixpk= 627, nxpk= 10, iat=1531,1550, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 LEU  HA          100 VAL  HN          4.50    (#    628:10  Unique         3.33, 3.49 A)
 &rst
  ixpk= 628, nxpk= 10, iat=1533,1550, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   98 GLU  HA          100 VAL  HN          5.50    (#    629:10  Unique         3.97, 4.57 A)
 &rst
  ixpk= 629, nxpk= 10, iat=1518,1550, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   97 GLU  HA          100 VAL  HN          3.50    (#    630:10  Unique         3.34, 3.52 A)
 &rst
  ixpk= 630, nxpk= 10, iat=1503,1550, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  100 VAL  HA          100 VAL  HN          3.50    (#    631:10  Unique         2.69, 2.76 A)
 &rst
  ixpk= 631, nxpk= 10, iat=1552,1550, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:632    100 VAL  HN          4.50    (#    632:10  Single Ambig)
 &rst
  ixpk= 632, nxpk= 10, iat=  -1,1550, r1= 0.00, r2= 1.80, r3= 5.88, r4= 6.63,
 igr1= 902,1580,1581,1523,1524,
 &end
#
#  100 VAL  HB          100 VAL  HN          2.80    (#    633:10  Unique         2.22, 2.42 A)
 &rst
  ixpk= 633, nxpk= 10, iat=1554,1550, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:634    100 VAL  HN          5.50    (#    634:10  Single Ambig)
 &rst
  ixpk= 634, nxpk= 10, iat=  -1,1550, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1538, 940, 941,
 &end
#
#   99 LEU  HB+         100 VAL  HN          4.50    (#    635:10  Unique         2.44, 3.33 A)
 &rst
  ixpk= 635, nxpk= 10, iat=  -1,1550, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1535,1536,
 &end
#
#   96 ALA  MB          100 VAL  HN          5.50    (#    636:10  Unique         5.09, 5.72 A)
 &rst
  ixpk= 636, nxpk= 10, iat=  -1,1550, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1495,1496,1497,
 &end
#
#  100 VAL  MGX         100 VAL  HN          2.80    (#    637:10  Unique         2.02, 3.86 A)
 &rst
  ixpk= 637, nxpk= 10, iat=  -1,1550, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1556,1557,1558,1560,1561,1562,
 &end
#
#  100 VAL  MGY         100 VAL  HN          4.50    (#    638:10  Unique         2.02, 3.86 A)
 &rst
  ixpk= 638, nxpk= 10, iat=  -1,1550, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1556,1557,1558,1560,1561,1562,
 &end
#
#    0 AMB  10-2:639    100 VAL  HN          3.50    (#    639:10  Single Ambig)
 &rst
  ixpk= 639, nxpk= 10, iat=  -1,1550, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 904, 905, 906, 908, 909, 910,1540,1541,1542,1544,
      1545,1546,
 &end
#
#   96 ALA  HN           95 ARG  HN          2.80    (#    640:10  Unique         2.39, 2.67 A)
 &rst
  ixpk= 640, nxpk= 10, iat=1491,1467, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   91 LYS  HA           95 ARG  HN          5.50    (#    641:10  Unique         3.49, 3.81 A)
 &rst
  ixpk= 641, nxpk= 10, iat=1392,1467, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:642     95 ARG  HN          2.80    (#    642:10  Single Ambig)
 &rst
  ixpk= 642, nxpk= 10, iat=  -1,1467, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1469,1452,
 &end
#
#    0 AMB  10-2:643     95 ARG  HN          5.50    (#    643:10  Single Ambig)
 &rst
  ixpk= 643, nxpk= 10, iat=  -1,1467, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1866,1383,1384,1383,1384,
 &end
#
#   92 ILE  HA           95 ARG  HN          5.50    (#    644:10  Unique         3.78, 3.96 A)
 &rst
  ixpk= 644, nxpk= 10, iat=1414,1467, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   95 ARG  HD+          95 ARG  HN          5.50    (#    645:10  Unique         2.00, 3.82 A)
 &rst
  ixpk= 645, nxpk= 10, iat=  -1,1467, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1477,1478,
 &end
#
#   94 GLN  HG-          95 ARG  HN          5.50    (#    646:10  Unique         1.99, 3.92 A)
 &rst
  ixpk= 646, nxpk= 10, iat=  -1,1467, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1457,1458,
 &end
#
#   94 GLN  HB-          95 ARG  HN          3.50    (#    647:10  Unique         2.19, 3.13 A)
 &rst
  ixpk= 647, nxpk= 10, iat=  -1,1467, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1454,1455,
 &end
#
#   94 GLN  HB+          95 ARG  HN          3.50    (#    648:10  Unique         2.19, 3.13 A)
 &rst
  ixpk= 648, nxpk= 10, iat=  -1,1467, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1454,1455,
 &end
#
#   95 ARG  HB-          95 ARG  HN          2.80    (#    649:10  Unique         2.15, 2.84 A)
 &rst
  ixpk= 649, nxpk= 10, iat=  -1,1467, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1471,1472,
 &end
#
#   95 ARG  HG-          95 ARG  HN          4.50    (#    650:10  Unique         1.95, 3.70 A)
 &rst
  ixpk= 650, nxpk= 10, iat=  -1,1467, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1474,1475,
 &end
#
#    0 AMB  10-2:651     95 ARG  HN          5.50    (#    651:10  Single Ambig)
 &rst
  ixpk= 651, nxpk= 10, iat=  -1,1467, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1495,1496,1497,1422,1423,
 &end
#
#    0 AMB  10-2:652     95 ARG  HN          5.50    (#    652:10  Single Ambig)
 &rst
  ixpk= 652, nxpk= 10, iat=  -1,1467, r1= 0.00, r2= 1.80, r3= 8.20, r4= 8.95,
 igr1=1868,1869,1540,1541,1542,1544,1545,1546,1437,1438,
      1439,
 &end
#
#  120 LEU  MDX          95 ARG  HN          5.50    (#    653:10  Unique         5.01, 6.93 A)
 &rst
  ixpk= 653, nxpk= 10, iat=  -1,1467, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
#   37 ALA  HN           59 ILE  HN          3.50    (#    654:10  Unique         3.17, 3.46 A)
 &rst
  ixpk= 654, nxpk= 10, iat= 603, 879, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:655     59 ILE  HN          4.50    (#    655:10  Single Ambig)
 &rst
  ixpk= 655, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1605, 869,
 &end
#
#   60 VAL  HN           59 ILE  HN          5.50    (#    656:10  Unique         4.33, 4.40 A)
 &rst
  ixpk= 656, nxpk= 10, iat= 898, 879, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   38 PRO  HA           59 ILE  HN          5.50    (#    657:10  Unique         3.41, 3.69 A)
 &rst
  ixpk= 657, nxpk= 10, iat= 623, 879, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   58 ALA  HA           59 ILE  HN          2.80    (#    658:10  Unique         2.53, 2.65 A)
 &rst
  ixpk= 658, nxpk= 10, iat= 871, 879, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   39 PRO  HD+          59 ILE  HN          5.50    (#    659:10  Unique         3.93, 4.87 A)
 &rst
  ixpk= 659, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 628, 629,
 &end
#
#    0 AMB  10-2:660     59 ILE  HN          5.50    (#    660:10  Single Ambig)
 &rst
  ixpk= 660, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 634, 635, 617, 618,
 &end
#
#   59 ILE  HB           59 ILE  HN          4.50    (#    661:10  Unique         2.67, 3.84 A)
 &rst
  ixpk= 661, nxpk= 10, iat= 883, 879, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:662     59 ILE  HN          2.80    (#    662:10  Single Ambig)
 &rst
  ixpk= 662, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 4.04, r4= 4.79,
 igr1= 873, 874, 875,1692,1693,1694,1696,1697,1698,
 &end
#
#   59 ILE  HG1+         59 ILE  HN          3.50    (#    663:10  Unique         2.55, 3.16 A)
 &rst
  ixpk= 663, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 889, 890,
 &end
#
#    0 AMB  10-2:664     59 ILE  HN          5.50    (#    664:10  Single Ambig)
 &rst
  ixpk= 664, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 588, 589, 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  10-2:665     59 ILE  HN          3.50    (#    665:10  Single Ambig)
 &rst
  ixpk= 665, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1692,1693,1694,1696,1697,1698, 885, 886, 887,
 &end
#
#  104 VAL  MGY          59 ILE  HN          5.50    (#    666:10  Unique         3.47, 5.19 A)
 &rst
  ixpk= 666, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1611,1612,1613,1615,1616,1617,
 &end
#
#   36 LEU  MDX          59 ILE  HN          5.50    (#    667:10  Unique         2.60, 4.52 A)
 &rst
  ixpk= 667, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 593, 594, 595, 597, 598, 599,
 &end
#
#   33 VAL  HA           28 VAL  HN          2.80    (#    668:10  Unique         2.38, 2.79 A)
 &rst
  ixpk= 668, nxpk= 10, iat= 537, 472, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:669     28 VAL  HN          5.50    (#    669:10  Single Ambig)
 &rst
  ixpk= 669, nxpk= 10, iat=  -1, 472, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 476, 518, 519,
 &end
#
#   28 VAL  MGY          28 VAL  HN          2.80    (#    670:10  Unique         2.34, 3.29 A)
 &rst
  ixpk= 670, nxpk= 10, iat=  -1, 472, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1= 478, 479, 480, 482, 483, 484,
 &end
#
#   27 TYR  HD           28 VAL  HN          3.50    (#    671:10  Unique         2.45, 3.98 A)
 &rst
  ixpk= 671, nxpk= 10, iat=  -1, 472, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 459, 468,
 &end
#
#   27 TYR  HA           28 VAL  HN          2.80    (#    672:10  Unique         2.14, 2.15 A)
 &rst
  ixpk= 672, nxpk= 10, iat= 453, 472, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:673     28 VAL  HN          2.80    (#    673:10  Single Ambig)
 &rst
  ixpk= 673, nxpk= 10, iat=  -1, 472, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 478, 479, 480, 482, 483, 484, 541, 542, 543, 545,
       546, 547,
 &end
#
#   35 HIS  HA           36 LEU  HN          2.80    (#    674:10  Unique         2.30, 2.44 A)
 &rst
  ixpk= 674, nxpk= 10, iat= 569, 584, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   36 LEU  HA           36 LEU  HN          3.50    (#    676:10  Unique         2.88, 2.89 A)
 &rst
  ixpk= 676, nxpk= 10, iat= 586, 584, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 HIS  HB+          36 LEU  HN          2.80    (#    677:10  Unique         2.17, 3.10 A)
 &rst
  ixpk= 677, nxpk= 10, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 571, 572,
 &end
#
#   36 LEU  HB+          36 LEU  HN          3.50    (#    678:10  Unique         2.10, 2.66 A)
 &rst
  ixpk= 678, nxpk= 10, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 588, 589,
 &end
#
#    0 AMB  10-2:679     36 LEU  HN          4.50    (#    679:10  Single Ambig)
 &rst
  ixpk= 679, nxpk= 10, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 7.07, r4= 7.82,
 igr1=1825,1826,1827,1829,1830,1831, 426, 427, 428,1692,
      1693,1694,1696,1697,1698,
 &end
#
#   36 LEU  MDY          36 LEU  HN          4.50    (#    680:10  Unique         2.85, 4.80 A)
 &rst
  ixpk= 680, nxpk= 10, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 593, 594, 595, 597, 598, 599,
 &end
#
#   36 LEU  HB-          36 LEU  HN          3.50    (#    681:10  Unique         2.10, 2.66 A)
 &rst
  ixpk= 681, nxpk= 10, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 588, 589,
 &end
#
#    0 AMB  10-2:682     36 LEU  HN          5.50    (#    682:10  Single Ambig)
 &rst
  ixpk= 682, nxpk= 10, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 904, 905, 906, 908, 909, 910,1692,1693,1694,1696,
      1697,1698,
 &end
#
#   36 LEU  HG           36 LEU  HN          4.50    (#    683:10  Unique         3.72, 4.27 A)
 &rst
  ixpk= 683, nxpk= 10, iat= 591, 584, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   58 ALA  HN           57 LYS  HN          4.50    (#    684:10  Unique         4.25, 4.41 A)
 &rst
  ixpk= 684, nxpk= 10, iat= 869, 847, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 ASP  HN           57 LYS  HN          3.50    (#    685:10  Unique         2.63, 3.17 A)
 &rst
  ixpk= 685, nxpk= 10, iat= 835, 847, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   56 ASP  HA           57 LYS  HN          2.80    (#    687:10  Unique         2.48, 2.68 A)
 &rst
  ixpk= 687, nxpk= 10, iat= 837, 847, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:688     57 LYS  HN          5.50    (#    688:10  Single Ambig)
 &rst
  ixpk= 688, nxpk= 10, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 823, 804,
 &end
#
#    0 AMB  10-2:689     57 LYS  HN          3.50    (#    689:10  Single Ambig)
 &rst
  ixpk= 689, nxpk= 10, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 839, 840, 839, 840,
 &end
#
#   57 LYS  HB-          57 LYS  HN          3.50    (#    690:10  Unique         2.32, 3.22 A)
 &rst
  ixpk= 690, nxpk= 10, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 851, 852,
 &end
#
#   57 LYS  HB+          57 LYS  HN          2.80    (#    691:10  Unique         2.32, 3.22 A)
 &rst
  ixpk= 691, nxpk= 10, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 851, 852,
 &end
#
#    0 AMB  10-2:692     57 LYS  HN          2.80    (#    692:10  Single Ambig)
 &rst
  ixpk= 692, nxpk= 10, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 854, 855, 854, 855,
 &end
#
#    0 AMB  10-2:693    120 LEU  HN          5.50    (#    693:10  Single Ambig)
 &rst
  ixpk= 693, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1907,1835,
 &end
#
#  119 GLU  HN          120 LEU  HN          3.50    (#    694:10  Unique         2.51, 2.59 A)
 &rst
  ixpk= 694, nxpk= 10, iat=1849,1864, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  121 ARG  HN          120 LEU  HN          3.50    (#    695:10  Unique         2.19, 2.30 A)
 &rst
  ixpk= 695, nxpk= 10, iat=1883,1864, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  120 LEU  HA          120 LEU  HN          2.80    (#    696:10  Unique         2.88, 2.92 A)
 &rst
  ixpk= 696, nxpk= 10, iat=1866,1864, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  119 GLU  HA          120 LEU  HN          5.50    (#    697:10  Unique         3.35, 3.41 A)
 &rst
  ixpk= 697, nxpk= 10, iat=1851,1864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  119 GLU  HG+         120 LEU  HN          5.50    (#    698:10  Unique         2.53, 4.63 A)
 &rst
  ixpk= 698, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1856,1857,
 &end
#
#    0 AMB  10-2:699    120 LEU  HN          3.50    (#    699:10  Single Ambig)
 &rst
  ixpk= 699, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1856,1857,1853,1854,
 &end
#
#    0 AMB  10-2:700    120 LEU  HN          5.50    (#    700:10  Single Ambig)
 &rst
  ixpk= 700, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1887,1888, 436,
 &end
#
#  120 LEU  HG          120 LEU  HN          4.50    (#    701:10  Unique         1.90, 2.01 A)
 &rst
  ixpk= 701, nxpk= 10, iat=1871,1864, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 LEU  HB+         120 LEU  HN          3.50    (#    702:10  Unique         2.81, 3.25 A)
 &rst
  ixpk= 702, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1868,1869,
 &end
#
#    0 AMB  10-2:703    120 LEU  HN          4.50    (#    703:10  Single Ambig)
 &rst
  ixpk= 703, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 445, 446, 447,1418,1419,1420,
 &end
#
#  120 LEU  MDX         120 LEU  HN          4.50    (#    704:10  Unique         2.61, 4.01 A)
 &rst
  ixpk= 704, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
#  120 LEU  MDY         120 LEU  HN          3.50    (#    705:10  Unique         2.61, 4.01 A)
 &rst
  ixpk= 705, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
#   69 ALA  HN           67 ASP  HN          5.50    (#    706:10  Unique         3.88, 4.21 A)
 &rst
  ixpk= 706, nxpk= 10, iat=1060,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   66 TYR  HN           67 ASP  HN          3.50    (#    707:10  Unique         2.68, 2.76 A)
 &rst
  ixpk= 707, nxpk= 10, iat=1011,1032, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   68 VAL  HN           67 ASP  HN          2.80    (#    708:10  Unique         2.14, 2.25 A)
 &rst
  ixpk= 708, nxpk= 10, iat=1044,1032, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   66 TYR  HD           67 ASP  HN          5.50    (#    709:10  Unique         1.91, 4.50 A)
 &rst
  ixpk= 709, nxpk= 10, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1019,1028,
 &end
#
#   67 ASP  HA           67 ASP  HN          3.50    (#    710:10  Unique         2.85, 2.91 A)
 &rst
  ixpk= 710, nxpk= 10, iat=1034,1032, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 TYR  HA           67 ASP  HN          4.50    (#    711:10  Unique         3.43, 3.52 A)
 &rst
  ixpk= 711, nxpk= 10, iat=1013,1032, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   66 TYR  HB-          67 ASP  HN          4.50    (#    712:10  Unique         2.34, 3.36 A)
 &rst
  ixpk= 712, nxpk= 10, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1015,1016,
 &end
#
#    0 AMB  10-2:713     67 ASP  HN          2.80    (#    713:10  Single Ambig)
 &rst
  ixpk= 713, nxpk= 10, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1036,1037,1036,1037,
 &end
#
#   68 VAL  HB           67 ASP  HN          5.50    (#    714:10  Unique         4.34, 4.54 A)
 &rst
  ixpk= 714, nxpk= 10, iat=1048,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   64 LEU  HB-          67 ASP  HN          3.50    (#    715:10  Unique         2.55, 3.23 A)
 &rst
  ixpk= 715, nxpk= 10, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 977, 978,
 &end
#
#    0 AMB  10-2:716     67 ASP  HN          5.50    (#    716:10  Single Ambig)
 &rst
  ixpk= 716, nxpk= 10, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1= 982, 983, 984, 986, 987, 988, 541, 542, 543, 545,
       546, 547,
 &end
#
#    0 AMB  10-2:717     67 ASP  HN          3.50    (#    717:10  Single Ambig)
 &rst
  ixpk= 717, nxpk= 10, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
      1055,1056,
 &end
#
#  112 ASN  HA          116 PHE  HN          5.50    (#    719:10  Unique         3.98, 4.12 A)
 &rst
  ixpk= 719, nxpk= 10, iat=1744,1799, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  115 HIS  HN          116 PHE  HN          3.50    (#    720:10  Unique         2.58, 2.70 A)
 &rst
  ixpk= 720, nxpk= 10, iat=1782,1799, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  117 VAL  HN          116 PHE  HN          3.50    (#    721:10  Unique         2.67, 2.84 A)
 &rst
  ixpk= 721, nxpk= 10, iat=1819,1799, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  116 PHE  HD          116 PHE  HN          4.50    (#    722:10  Unique         3.61, 4.58 A)
 &rst
  ixpk= 722, nxpk= 10, iat=  -1,1799, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1807,1815,
 &end
#
#  116 PHE  HA          116 PHE  HN          2.80    (#    723:10  Unique         2.77, 2.81 A)
 &rst
  ixpk= 723, nxpk= 10, iat=1801,1799, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  116 PHE  HB-         116 PHE  HN          2.80    (#    724:10  Unique         2.08, 2.57 A)
 &rst
  ixpk= 724, nxpk= 10, iat=  -1,1799, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1803,1804,
 &end
#
#  113 CYS  HB+         116 PHE  HN          5.50    (#    725:10  Unique         5.20, 5.48 A)
 &rst
  ixpk= 725, nxpk= 10, iat=  -1,1799, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1760,1761,
 &end
#
#  115 HIS  HB+         116 PHE  HN          2.80    (#    726:10  Unique         2.36, 3.10 A)
 &rst
  ixpk= 726, nxpk= 10, iat=  -1,1799, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1786,1787,
 &end
#
#  116 PHE  HB+         116 PHE  HN          2.80    (#    727:10  Unique         2.08, 2.57 A)
 &rst
  ixpk= 727, nxpk= 10, iat=  -1,1799, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1803,1804,
 &end
#
#   36 LEU  HG          116 PHE  HN          5.50    (#    728:10  Unique         4.59, 4.69 A)
 &rst
  ixpk= 728, nxpk= 10, iat= 591,1799, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   93 ILE  HN           94 GLN  HN          3.50    (#    729:10  Unique         2.63, 2.70 A)
 &rst
  ixpk= 729, nxpk= 10, iat=1431,1450, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   95 ARG  HN           94 GLN  HN          3.50    (#    730:10  Unique         2.70, 2.88 A)
 &rst
  ixpk= 730, nxpk= 10, iat=1467,1450, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:731     57 LYS  HN          3.50    (#    731:10  Single Ambig)
 &rst
  ixpk= 731, nxpk= 10, iat=  -1, 847, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1663, 825,
 &end
#
#   94 GLN  HA           94 GLN  HN          2.80    (#    732:10  Unique         2.73, 2.77 A)
 &rst
  ixpk= 732, nxpk= 10, iat=1452,1450, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:733      0 AMB  10-1:733    5.50    (#    733:10  Double Ambig)
 &rst
  ixpk= 733, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 628, 629,1383,1384,
 igr2= 847,1450,
 &end
#
#   93 ILE  HA           94 GLN  HN          4.50    (#    734:10  Unique         3.52, 3.55 A)
 &rst
  ixpk= 734, nxpk= 10, iat=1433,1450, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   94 GLN  HG-          94 GLN  HN          3.50    (#    735:10  Unique         2.43, 3.08 A)
 &rst
  ixpk= 735, nxpk= 10, iat=  -1,1450, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1457,1458,
 &end
#
#   94 GLN  HG+          94 GLN  HN          4.50    (#    736:10  Unique         2.43, 3.08 A)
 &rst
  ixpk= 736, nxpk= 10, iat=  -1,1450, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1457,1458,
 &end
#
#   94 GLN  HB-          94 GLN  HN          2.80    (#    737:10  Unique         2.14, 2.92 A)
 &rst
  ixpk= 737, nxpk= 10, iat=  -1,1450, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1454,1455,
 &end
#
#   94 GLN  HB+          94 GLN  HN          2.80    (#    738:10  Unique         2.14, 2.92 A)
 &rst
  ixpk= 738, nxpk= 10, iat=  -1,1450, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1454,1455,
 &end
#
#   93 ILE  HB           94 GLN  HN          2.80    (#    739:10  Unique         2.19, 2.50 A)
 &rst
  ixpk= 739, nxpk= 10, iat=1435,1450, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#    0 AMB  10-2:740      0 AMB  10-1:740    3.50    (#    740:10  Double Ambig)
 &rst
  ixpk= 740, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1668,1669,1441,1442,
 igr2= 847,1450,
 &end
#
#   93 ILE  QG2          94 GLN  HN          3.50    (#    741:10  Unique         3.57, 4.36 A)
 &rst
  ixpk= 741, nxpk= 10, iat=  -1,1450, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1437,1438,1439,
 &end
#
#    0 AMB  10-2:742     94 GLN  HN          4.50    (#    742:10  Single Ambig)
 &rst
  ixpk= 742, nxpk= 10, iat=  -1,1450, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1444,1445,1446, 478, 479, 480, 482, 483, 484,
 &end
#
#  103 GLU  HA          104 VAL  HN          2.80    (#    743:10  Unique         2.14, 2.15 A)
 &rst
  ixpk= 743, nxpk= 10, iat=1592,1605, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  103 GLU  HB+         104 VAL  HN          3.50    (#    744:10  Unique         3.55, 3.98 A)
 &rst
  ixpk= 744, nxpk= 10, iat=  -1,1605, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1594,1595,
 &end
#
#   58 ALA  MB          104 VAL  HN          4.50    (#    745:10  Unique         4.04, 4.96 A)
 &rst
  ixpk= 745, nxpk= 10, iat=  -1,1605, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 873, 874, 875,
 &end
#
#  104 VAL  MGX         104 VAL  HN          3.50    (#    746:10  Unique         2.01, 3.05 A)
 &rst
  ixpk= 746, nxpk= 10, iat=  -1,1605, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1611,1612,1613,1615,1616,1617,
 &end
#
#  104 VAL  MGY         104 VAL  HN          2.80    (#    747:10  Unique         2.01, 3.05 A)
 &rst
  ixpk= 747, nxpk= 10, iat=  -1,1605, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1611,1612,1613,1615,1616,1617,
 &end
#
#  104 VAL  HA          104 VAL  HN          3.50    (#    748:10  Unique         2.81, 2.86 A)
 &rst
  ixpk= 748, nxpk= 10, iat=1607,1605, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  103 GLU  HG+         104 VAL  HN          4.50    (#    749:10  Unique         4.76, 5.01 A)
 &rst
  ixpk= 749, nxpk= 10, iat=  -1,1605, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1597,1598,
 &end
#
#  104 VAL  HB          104 VAL  HN          3.50    (#    750:10  Unique         3.61, 3.63 A)
 &rst
  ixpk= 750, nxpk= 10, iat=1609,1605, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   59 ILE  HB          104 VAL  HN          5.50    (#    751:10  Unique         4.19, 4.48 A)
 &rst
  ixpk= 751, nxpk= 10, iat= 883,1605, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:752    107 LYS  HN          3.50    (#    752:10  Single Ambig)
 &rst
  ixpk= 752, nxpk= 10, iat=  -1,1661, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1751,1752,1683,
 &end
#
#  112 ASN  HD2-        107 LYS  HN          3.50    (#    753:10  Unique         1.87, 3.32 A)
 &rst
  ixpk= 753, nxpk= 10, iat=  -1,1661, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1751,1752,
 &end
#
#  106 TYR  HD          107 LYS  HN          4.50    (#    754:10  Unique         2.81, 4.81 A)
 &rst
  ixpk= 754, nxpk= 10, iat=  -1,1661, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1648,1657,
 &end
#
#  106 TYR  HA          107 LYS  HN          2.80    (#    755:10  Unique         2.21, 2.30 A)
 &rst
  ixpk= 755, nxpk= 10, iat=1642,1661, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  107 LYS  HA          107 LYS  HN          3.50    (#    756:10  Unique         2.80, 2.83 A)
 &rst
  ixpk= 756, nxpk= 10, iat=1663,1661, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  106 TYR  HB-         107 LYS  HN          3.50    (#    757:10  Unique         2.08, 3.27 A)
 &rst
  ixpk= 757, nxpk= 10, iat=  -1,1661, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1644,1645,
 &end
#
#  106 TYR  HB+         107 LYS  HN          3.50    (#    758:10  Unique         2.08, 3.27 A)
 &rst
  ixpk= 758, nxpk= 10, iat=  -1,1661, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1644,1645,
 &end
#
#    0 AMB  10-2:759    107 LYS  HN          4.50    (#    759:10  Single Ambig)
 &rst
  ixpk= 759, nxpk= 10, iat=  -1,1661, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 839, 840, 839, 840,
 &end
#
#  107 LYS  HB+         107 LYS  HN          2.80    (#    760:10  Unique         2.07, 2.73 A)
 &rst
  ixpk= 760, nxpk= 10, iat=  -1,1661, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1665,1666,
 &end
#
#  107 LYS  HG+         107 LYS  HN          3.50    (#    761:10  Unique         2.24, 3.82 A)
 &rst
  ixpk= 761, nxpk= 10, iat=  -1,1661, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1668,1669,
 &end
#
#    0 AMB  10-2:762    107 LYS  HN          5.50    (#    762:10  Single Ambig)
 &rst
  ixpk= 762, nxpk= 10, iat=  -1,1661, r1= 0.00, r2= 1.80, r3= 8.32, r4= 9.07,
 igr1=1708,1709,1710, 873, 874, 875,1692,1693,1694,1696,
      1697,1698,
 &end
#
#    0 AMB  10-2:763    106 TYR  HN          3.50    (#    763:10  Single Ambig)
 &rst
  ixpk= 763, nxpk= 10, iat=  -1,1640, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1621, 869,
 &end
#
#    0 AMB  10-2:764    106 TYR  HN          2.80    (#    764:10  Single Ambig)
 &rst
  ixpk= 764, nxpk= 10, iat=  -1,1640, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1642, 849,
 &end
#
#    0 AMB  10-2:765    106 TYR  HN          3.50    (#    765:10  Single Ambig)
 &rst
  ixpk= 765, nxpk= 10, iat=  -1,1640, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1623,1607,
 &end
#
#  106 TYR  HB-         106 TYR  HN          4.50    (#    766:10  Unique         2.17, 3.32 A)
 &rst
  ixpk= 766, nxpk= 10, iat=  -1,1640, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1644,1645,
 &end
#
#  106 TYR  HB+         106 TYR  HN          3.50    (#    767:10  Unique         2.17, 3.32 A)
 &rst
  ixpk= 767, nxpk= 10, iat=  -1,1640, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1644,1645,
 &end
#
#  104 VAL  HB          106 TYR  HN          3.50    (#    768:10  Unique         2.53, 2.68 A)
 &rst
  ixpk= 768, nxpk= 10, iat=1609,1640, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  105 LEU  HB+         106 TYR  HN          3.50    (#    769:10  Unique         2.84, 3.75 A)
 &rst
  ixpk= 769, nxpk= 10, iat=  -1,1640, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1625,1626,
 &end
#
#   58 ALA  MB          106 TYR  HN          5.50    (#    770:10  Unique         3.35, 5.09 A)
 &rst
  ixpk= 770, nxpk= 10, iat=  -1,1640, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 873, 874, 875,
 &end
#
#  105 LEU  MDY         106 TYR  HN          4.50    (#    771:10  Unique         4.25, 5.70 A)
 &rst
  ixpk= 771, nxpk= 10, iat=  -1,1640, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1630,1631,1632,1634,1635,1636,
 &end
#
#  104 VAL  MGX         106 TYR  HN          4.50    (#    772:10  Unique         1.90, 3.98 A)
 &rst
  ixpk= 772, nxpk= 10, iat=  -1,1640, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1611,1612,1613,1615,1616,1617,
 &end
#
#  104 VAL  MGY         106 TYR  HN          4.50    (#    773:10  Unique         1.90, 3.98 A)
 &rst
  ixpk= 773, nxpk= 10, iat=  -1,1640, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1611,1612,1613,1615,1616,1617,
 &end
#
#    0 AMB  10-2:774     99 LEU  HN          5.50    (#    774:10  Single Ambig)
 &rst
  ixpk= 774, nxpk= 10, iat=  -1,1531, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1501,1491,
 &end
#
#   98 GLU  HN           99 LEU  HN          3.50    (#    775:10  Unique         2.15, 2.20 A)
 &rst
  ixpk= 775, nxpk= 10, iat=1516,1531, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  100 VAL  HN           99 LEU  HN          2.80    (#    776:10  Unique         2.13, 2.17 A)
 &rst
  ixpk= 776, nxpk= 10, iat=1550,1531, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 LEU  HA           99 LEU  HN          3.50    (#    777:10  Unique         2.92, 2.93 A)
 &rst
  ixpk= 777, nxpk= 10, iat=1533,1531, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   98 GLU  HA           99 LEU  HN          3.50    (#    778:10  Unique         3.38, 3.45 A)
 &rst
  ixpk= 778, nxpk= 10, iat=1518,1531, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 GLU  HA           99 LEU  HN          5.50    (#    779:10  Unique         3.84, 4.05 A)
 &rst
  ixpk= 779, nxpk= 10, iat=1503,1531, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   96 ALA  HA           99 LEU  HN          4.50    (#    780:10  Unique         3.25, 3.59 A)
 &rst
  ixpk= 780, nxpk= 10, iat=1493,1531, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:781     99 LEU  HN          4.50    (#    781:10  Single Ambig)
 &rst
  ixpk= 781, nxpk= 10, iat=  -1,1531, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1523,1524,1508,1509,
 &end
#
#   98 GLU  HB-          99 LEU  HN          3.50    (#    782:10  Unique         3.11, 3.54 A)
 &rst
  ixpk= 782, nxpk= 10, iat=  -1,1531, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1520,1521,
 &end
#
#   99 LEU  HB-          99 LEU  HN          2.80    (#    783:10  Unique         2.46, 3.10 A)
 &rst
  ixpk= 783, nxpk= 10, iat=  -1,1531, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1535,1536,
 &end
#
#   99 LEU  HG           99 LEU  HN          2.80    (#    784:10  Unique         2.46, 2.62 A)
 &rst
  ixpk= 784, nxpk= 10, iat=1538,1531, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   99 LEU  HB+          99 LEU  HN          3.50    (#    785:10  Unique         2.46, 3.10 A)
 &rst
  ixpk= 785, nxpk= 10, iat=  -1,1531, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1535,1536,
 &end
#
#   96 ALA  MB           99 LEU  HN          5.50    (#    786:10  Unique         5.11, 5.56 A)
 &rst
  ixpk= 786, nxpk= 10, iat=  -1,1531, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1495,1496,1497,
 &end
#
#  100 VAL  MGX          99 LEU  HN          4.50    (#    787:10  Unique         3.34, 5.65 A)
 &rst
  ixpk= 787, nxpk= 10, iat=  -1,1531, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1556,1557,1558,1560,1561,1562,
 &end
#
#    0 AMB  10-2:788     99 LEU  HN          3.50    (#    788:10  Single Ambig)
 &rst
  ixpk= 788, nxpk= 10, iat=  -1,1531, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1540,1541,1542,1544,1545,1546, 904, 905, 906, 908,
       909, 910,
 &end
#
#  113 CYS  HN          109 THR  HN          5.50    (#    790:10  Unique         2.55, 3.89 A)
 &rst
  ixpk= 790, nxpk= 10, iat=1756,1702, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  112 ASN  HD2+        109 THR  HN          3.50    (#    791:10  Unique         1.86, 3.00 A)
 &rst
  ixpk= 791, nxpk= 10, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1751,1752,
 &end
#
#  112 ASN  HN          109 THR  HN          4.50    (#    792:10  Unique         3.44, 3.54 A)
 &rst
  ixpk= 792, nxpk= 10, iat=1742,1702, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  112 ASN  HD2-        109 THR  HN          5.50    (#    793:10  Unique         1.86, 3.00 A)
 &rst
  ixpk= 793, nxpk= 10, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1751,1752,
 &end
#
#    0 AMB  10-2:795    109 THR  HN          3.50    (#    795:10  Single Ambig)
 &rst
  ixpk= 795, nxpk= 10, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1704,1706,
 &end
#
#  112 ASN  HA          109 THR  HN          5.50    (#    796:10  Unique         4.68, 4.85 A)
 &rst
  ixpk= 796, nxpk= 10, iat=1744,1702, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  108 LEU  HA          109 THR  HN          2.80    (#    797:10  Unique         2.14, 2.37 A)
 &rst
  ixpk= 797, nxpk= 10, iat=1685,1702, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  112 ASN  HB-         109 THR  HN          3.50    (#    798:10  Unique         1.90, 2.60 A)
 &rst
  ixpk= 798, nxpk= 10, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1746,1747,
 &end
#
#  112 ASN  HB+         109 THR  HN          3.50    (#    799:10  Unique         1.90, 2.60 A)
 &rst
  ixpk= 799, nxpk= 10, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1746,1747,
 &end
#
#    0 AMB  10-2:800    109 THR  HN          3.50    (#    800:10  Single Ambig)
 &rst
  ixpk= 800, nxpk= 10, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1665,1666,1687,1688,
 &end
#
#  107 LYS  HG+         109 THR  HN          5.50    (#    801:10  Unique         2.10, 5.71 A)
 &rst
  ixpk= 801, nxpk= 10, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1668,1669,
 &end
#
#  108 LEU  HB+         109 THR  HN          4.50    (#    802:10  Unique         3.38, 4.35 A)
 &rst
  ixpk= 802, nxpk= 10, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1687,1688,
 &end
#
#  109 THR  MG2         109 THR  HN          3.50    (#    803:10  Unique         2.40, 3.92 A)
 &rst
  ixpk= 803, nxpk= 10, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1708,1709,1710,
 &end
#
#  108 LEU  MDX         109 THR  HN          4.50    (#    804:10  Unique         3.58, 5.61 A)
 &rst
  ixpk= 804, nxpk= 10, iat=  -1,1702, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1692,1693,1694,1696,1697,1698,
 &end
#
#   22 ARG  HN           21 TYR  HN          5.50    (#    805:10  Unique         2.98, 3.33 A)
 &rst
  ixpk= 805, nxpk= 10, iat= 357, 336, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   20 PHE  HN           21 TYR  HN          2.80    (#    806:10  Unique         2.09, 2.28 A)
 &rst
  ixpk= 806, nxpk= 10, iat= 316, 336, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   21 TYR  HD           21 TYR  HN          3.50    (#    807:10  Unique         2.22, 3.58 A)
 &rst
  ixpk= 807, nxpk= 10, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 344, 353,
 &end
#
#   21 TYR  HE           21 TYR  HN          5.50    (#    808:10  Unique         3.95, 4.89 A)
 &rst
  ixpk= 808, nxpk= 10, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 346, 351,
 &end
#
#    0 AMB  10-2:810     21 TYR  HN          5.50    (#    810:10  Single Ambig)
 &rst
  ixpk= 810, nxpk= 10, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 280, 260,
 &end
#
#   19 PRO  HA           21 TYR  HN          5.50    (#    811:10  Unique         4.69, 4.95 A)
 &rst
  ixpk= 811, nxpk= 10, iat= 312, 336, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   20 PHE  HB+          21 TYR  HN          5.50    (#    812:10  Unique         2.45, 2.93 A)
 &rst
  ixpk= 812, nxpk= 10, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 320, 321,
 &end
#
#   21 TYR  HB-          21 TYR  HN          3.50    (#    813:10  Unique         3.27, 3.74 A)
 &rst
  ixpk= 813, nxpk= 10, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 340, 341,
 &end
#
#   21 TYR  HB+          21 TYR  HN          3.50    (#    814:10  Unique         3.27, 3.74 A)
 &rst
  ixpk= 814, nxpk= 10, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 340, 341,
 &end
#
#   18 ARG  HD-          21 TYR  HN          5.50    (#    815:10  Unique         3.58, 4.72 A)
 &rst
  ixpk= 815, nxpk= 10, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 288, 289,
 &end
#
#    0 AMB  10-2:816     21 TYR  HN          5.50    (#    816:10  Single Ambig)
 &rst
  ixpk= 816, nxpk= 10, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 306, 307, 309, 310,
 &end
#
#   18 ARG  HB+          21 TYR  HN          3.50    (#    817:10  Unique         1.95, 2.88 A)
 &rst
  ixpk= 817, nxpk= 10, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 282, 283,
 &end
#
#   18 ARG  HG-          21 TYR  HN          5.50    (#    818:10  Unique         3.67, 5.18 A)
 &rst
  ixpk= 818, nxpk= 10, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 285, 286,
 &end
#
#  102 GLN  HN          101 GLY  HN          3.50    (#    819:10  Unique         2.25, 2.42 A)
 &rst
  ixpk= 819, nxpk= 10, iat=1573,1566, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  101 GLY  HA+         101 GLY  HN          3.50    (#    820:10  Unique         2.30, 2.63 A)
 &rst
  ixpk= 820, nxpk= 10, iat=  -1,1566, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1568,1569,
 &end
#
#  101 GLY  HA-         101 GLY  HN          3.50    (#    821:10  Unique         2.30, 2.63 A)
 &rst
  ixpk= 821, nxpk= 10, iat=  -1,1566, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1568,1569,
 &end
#
#  100 VAL  HA          101 GLY  HN          2.80    (#    822:10  Unique         2.18, 2.27 A)
 &rst
  ixpk= 822, nxpk= 10, iat=1552,1566, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   60 VAL  HB          101 GLY  HN          3.50    (#    823:10  Unique         2.25, 2.75 A)
 &rst
  ixpk= 823, nxpk= 10, iat= 902,1566, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  100 VAL  HB          101 GLY  HN          5.50    (#    824:10  Unique         3.91, 4.04 A)
 &rst
  ixpk= 824, nxpk= 10, iat=1554,1566, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 VAL  MGX         101 GLY  HN          4.50    (#    825:10  Unique         1.92, 3.70 A)
 &rst
  ixpk= 825, nxpk= 10, iat=  -1,1566, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1556,1557,1558,1560,1561,1562,
 &end
#
#  100 VAL  MGY         101 GLY  HN          3.50    (#    826:10  Unique         1.92, 3.70 A)
 &rst
  ixpk= 826, nxpk= 10, iat=  -1,1566, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1556,1557,1558,1560,1561,1562,
 &end
#
#   60 VAL  MGX         101 GLY  HN          3.50    (#    827:10  Unique         3.28, 4.77 A)
 &rst
  ixpk= 827, nxpk= 10, iat=  -1,1566, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 904, 905, 906, 908, 909, 910,
 &end
#
#    0 AMB  10-2:828    101 GLY  HN          3.50    (#    828:10  Single Ambig)
 &rst
  ixpk= 828, nxpk= 10, iat=  -1,1566, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 904, 905, 906, 908, 909, 910, 885, 886, 887,
 &end
#
#  122 TYR  HN          124 VAL  HN          5.50    (#    829:10  Unique         3.88, 4.35 A)
 &rst
  ixpk= 829, nxpk= 10, iat=1907,1935, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  125 ALA  HN          124 VAL  HN          5.50    (#    830:10  Unique         2.72, 3.91 A)
 &rst
  ixpk= 830, nxpk= 10, iat=1951,1935, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  123 GLY  HN          124 VAL  HN          3.50    (#    831:10  Unique         1.89, 2.24 A)
 &rst
  ixpk= 831, nxpk= 10, iat=1928,1935, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:832    124 VAL  HN          2.80    (#    832:10  Single Ambig)
 &rst
  ixpk= 832, nxpk= 10, iat=  -1,1935, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1930,1931,1937,
 &end
#
#  123 GLY  HA-         124 VAL  HN          3.50    (#    833:10  Unique         2.68, 3.18 A)
 &rst
  ixpk= 833, nxpk= 10, iat=  -1,1935, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1930,1931,
 &end
#
#  119 GLU  HA          124 VAL  HN          3.50    (#    834:10  Unique         1.96, 2.78 A)
 &rst
  ixpk= 834, nxpk= 10, iat=1851,1935, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:835    124 VAL  HN          3.50    (#    835:10  Single Ambig)
 &rst
  ixpk= 835, nxpk= 10, iat=  -1,1935, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1911,1912,1839,1840,
 &end
#
#  122 TYR  HB+         124 VAL  HN          3.50    (#    836:10  Unique         2.70, 3.92 A)
 &rst
  ixpk= 836, nxpk= 10, iat=  -1,1935, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1911,1912,
 &end
#
#    0 AMB  10-2:837    124 VAL  HN          4.50    (#    837:10  Single Ambig)
 &rst
  ixpk= 837, nxpk= 10, iat=  -1,1935, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1856,1857,1853,1854,
 &end
#
#  124 VAL  HB          124 VAL  HN          3.50    (#    838:10  Unique         2.91, 3.28 A)
 &rst
  ixpk= 838, nxpk= 10, iat=1939,1935, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 VAL  MGY         124 VAL  HN          3.50    (#    839:10  Unique         2.08, 4.20 A)
 &rst
  ixpk= 839, nxpk= 10, iat=  -1,1935, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1941,1942,1943,1945,1946,1947,
 &end
#
#   84 TYR  HN           82 ASP  HN          3.50    (#    840:10  Unique         3.12, 3.38 A)
 &rst
  ixpk= 840, nxpk= 10, iat=1289,1255, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   81 ASP  HN           82 ASP  HN          3.50    (#    841:10  Unique         2.53, 2.61 A)
 &rst
  ixpk= 841, nxpk= 10, iat=1243,1255, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 LYS  HN           82 ASP  HN          2.80    (#    842:10  Unique         1.89, 2.03 A)
 &rst
  ixpk= 842, nxpk= 10, iat=1267,1255, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   80 HIS  HA           82 ASP  HN          2.80    (#    843:10  Unique         2.90, 2.93 A)
 &rst
  ixpk= 843, nxpk= 10, iat=1228,1255, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   82 ASP  HA           82 ASP  HN          3.50    (#    845:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 845, nxpk= 10, iat=1257,1255, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   83 LYS  HA           82 ASP  HN          5.50    (#    846:10  Unique         4.61, 4.76 A)
 &rst
  ixpk= 846, nxpk= 10, iat=1269,1255, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   81 ASP  HB+          82 ASP  HN          3.50    (#    847:10  Unique         3.62, 4.02 A)
 &rst
  ixpk= 847, nxpk= 10, iat=  -1,1255, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1247,1248,
 &end
#
#   82 ASP  HB+          82 ASP  HN          2.80    (#    848:10  Unique         2.25, 2.83 A)
 &rst
  ixpk= 848, nxpk= 10, iat=  -1,1255, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1259,1260,
 &end
#
#   83 LYS  HB+          82 ASP  HN          4.50    (#    849:10  Unique         3.97, 5.08 A)
 &rst
  ixpk= 849, nxpk= 10, iat=  -1,1255, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1271,1272,
 &end
#
#   83 LYS  HG-          82 ASP  HN          5.50    (#    850:10  Unique         3.16, 4.27 A)
 &rst
  ixpk= 850, nxpk= 10, iat=  -1,1255, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1274,1275,
 &end
#
#   73 LYS  HN           74 TYR  HN          5.50    (#    852:10  Unique         2.20, 3.77 A)
 &rst
  ixpk= 852, nxpk= 10, iat=1100,1122, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   74 TYR  HD           74 TYR  HN          3.50    (#    853:10  Unique         2.33, 3.50 A)
 &rst
  ixpk= 853, nxpk= 10, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1130,1139,
 &end
#
#   74 TYR  HA           74 TYR  HN          3.50    (#    854:10  Unique         2.87, 2.92 A)
 &rst
  ixpk= 854, nxpk= 10, iat=1124,1122, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   73 LYS  HA           74 TYR  HN          2.80    (#    855:10  Unique         2.14, 2.35 A)
 &rst
  ixpk= 855, nxpk= 10, iat=1102,1122, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   74 TYR  HB+          74 TYR  HN          3.50    (#    856:10  Unique         3.08, 3.56 A)
 &rst
  ixpk= 856, nxpk= 10, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1126,1127,
 &end
#
#   73 LYS  HB+          74 TYR  HN          4.50    (#    857:10  Unique         2.94, 4.11 A)
 &rst
  ixpk= 857, nxpk= 10, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1104,1105,
 &end
#
#    0 AMB  10-2:858     74 TYR  HN          4.50    (#    858:10  Single Ambig)
 &rst
  ixpk= 858, nxpk= 10, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1107,1108,1110,1111,
 &end
#
#   84 TYR  HN           85 SER  HN          4.50    (#    859:10  Unique         2.70, 4.31 A)
 &rst
  ixpk= 859, nxpk= 10, iat=1289,1310, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   84 TYR  HD           85 SER  HN          3.50    (#    860:10  Unique         3.30, 4.35 A)
 &rst
  ixpk= 860, nxpk= 10, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1297,1306,
 &end
#
#   84 TYR  HA           85 SER  HN          2.80    (#    861:10  Unique         2.19, 2.61 A)
 &rst
  ixpk= 861, nxpk= 10, iat=1291,1310, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   85 SER  HB+          85 SER  HN          3.50    (#    863:10  Unique         3.02, 3.77 A)
 &rst
  ixpk= 863, nxpk= 10, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1314,1315,
 &end
#
#   85 SER  HB-          85 SER  HN          3.50    (#    864:10  Unique         3.02, 3.77 A)
 &rst
  ixpk= 864, nxpk= 10, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1314,1315,
 &end
#
#   84 TYR  HB-          85 SER  HN          2.80    (#    865:10  Unique         1.83, 2.85 A)
 &rst
  ixpk= 865, nxpk= 10, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1293,1294,
 &end
#
#   84 TYR  HB+          85 SER  HN          3.50    (#    866:10  Unique         1.83, 2.85 A)
 &rst
  ixpk= 866, nxpk= 10, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1293,1294,
 &end
#
#   15 GLU  HN           75 GLN  HN          3.50    (#    873:10  Unique         2.58, 2.96 A)
 &rst
  ixpk= 873, nxpk= 10, iat= 224,1143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   17 PHE  HD           75 GLN  HN          5.50    (#    874:10  Unique         3.76, 6.17 A)
 &rst
  ixpk= 874, nxpk= 10, iat=  -1,1143, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 266, 274,
 &end
#
#   74 TYR  HD           75 GLN  HN          3.50    (#    875:10  Unique         3.54, 4.67 A)
 &rst
  ixpk= 875, nxpk= 10, iat=  -1,1143, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1130,1139,
 &end
#
#   74 TYR  HA           75 GLN  HN          2.80    (#    876:10  Unique         2.24, 2.41 A)
 &rst
  ixpk= 876, nxpk= 10, iat=1124,1143, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   75 GLN  HA           75 GLN  HN          3.50    (#    877:10  Unique         2.87, 2.88 A)
 &rst
  ixpk= 877, nxpk= 10, iat=1145,1143, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   16 ILE  HA           75 GLN  HN          4.50    (#    878:10  Unique         3.49, 3.87 A)
 &rst
  ixpk= 878, nxpk= 10, iat= 241,1143, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   74 TYR  HB+          75 GLN  HN          2.80    (#    879:10  Unique         2.07, 3.04 A)
 &rst
  ixpk= 879, nxpk= 10, iat=  -1,1143, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1126,1127,
 &end
#
#   75 GLN  HG+          75 GLN  HN          3.50    (#    881:10  Unique         2.30, 3.26 A)
 &rst
  ixpk= 881, nxpk= 10, iat=  -1,1143, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1150,1151,
 &end
#
#   75 GLN  HB+          75 GLN  HN          4.50    (#    882:10  Unique         3.26, 3.71 A)
 &rst
  ixpk= 882, nxpk= 10, iat=  -1,1143, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1147,1148,
 &end
#
#   14 ILE  QG2          75 GLN  HN          3.50    (#    883:10  Unique         3.22, 4.19 A)
 &rst
  ixpk= 883, nxpk= 10, iat=  -1,1143, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 211, 212, 213,
 &end
#
#   65 LEU  HN           66 TYR  HN          5.50    (#    884:10  Unique         2.71, 2.82 A)
 &rst
  ixpk= 884, nxpk= 10, iat= 992,1011, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   67 ASP  HN           66 TYR  HN          3.50    (#    885:10  Unique         2.68, 2.76 A)
 &rst
  ixpk= 885, nxpk= 10, iat=1032,1011, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   66 TYR  HA           66 TYR  HN          3.50    (#    886:10  Unique         2.73, 2.78 A)
 &rst
  ixpk= 886, nxpk= 10, iat=1013,1011, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:887      0 AMB  10-1:887    3.50    (#    887:10  Double Ambig)
 &rst
  ixpk= 887, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1293,1294,1015,1016,
 igr2=1310,1011,
 &end
#
#   66 TYR  HB+          66 TYR  HN          3.50    (#    888:10  Unique         2.09, 3.04 A)
 &rst
  ixpk= 888, nxpk= 10, iat=  -1,1011, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1015,1016,
 &end
#
#   65 LEU  HB-          66 TYR  HN          3.50    (#    889:10  Unique         2.49, 3.22 A)
 &rst
  ixpk= 889, nxpk= 10, iat=  -1,1011, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 996, 997,
 &end
#
#    0 AMB  10-2:890     66 TYR  HN          3.50    (#    890:10  Single Ambig)
 &rst
  ixpk= 890, nxpk= 10, iat=  -1,1011, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 977, 978, 996, 997,
 &end
#
#   65 LEU  HG           66 TYR  HN          5.50    (#    891:10  Unique         4.96, 5.14 A)
 &rst
  ixpk= 891, nxpk= 10, iat= 999,1011, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   64 LEU  MDY          66 TYR  HN          5.50    (#    892:10  Unique         2.30, 5.05 A)
 &rst
  ixpk= 892, nxpk= 10, iat=  -1,1011, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 982, 983, 984, 986, 987, 988,
 &end
#
#   66 TYR  HD           66 TYR  HN          5.50    (#    893:10  Unique         1.81, 3.47 A)
 &rst
  ixpk= 893, nxpk= 10, iat=  -1,1011, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1019,1028,
 &end
#
#   65 LEU  HA           66 TYR  HN          5.50    (#    894:10  Unique         3.46, 3.50 A)
 &rst
  ixpk= 894, nxpk= 10, iat= 994,1011, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   64 LEU  MDX          66 TYR  HN          5.50    (#    895:10  Unique         2.30, 5.05 A)
 &rst
  ixpk= 895, nxpk= 10, iat=  -1,1011, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 982, 983, 984, 986, 987, 988,
 &end
#
#   92 ILE  HN           93 ILE  HN          3.50    (#    896:10  Unique         2.73, 2.90 A)
 &rst
  ixpk= 896, nxpk= 10, iat=1412,1431, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   94 GLN  HN           93 ILE  HN          3.50    (#    897:10  Unique         2.63, 2.70 A)
 &rst
  ixpk= 897, nxpk= 10, iat=1450,1431, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 SER  HA           93 ILE  HN          4.50    (#    898:10  Unique         3.60, 3.85 A)
 &rst
  ixpk= 898, nxpk= 10, iat=1381,1431, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:899     93 ILE  HN          4.50    (#    899:10  Single Ambig)
 &rst
  ixpk= 899, nxpk= 10, iat=  -1,1431, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1370,1383,1384,
 &end
#
#   93 ILE  HA           93 ILE  HN          3.50    (#    900:10  Unique         2.78, 2.82 A)
 &rst
  ixpk= 900, nxpk= 10, iat=1433,1431, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   92 ILE  HA           93 ILE  HN          4.50    (#    901:10  Unique         3.55, 3.56 A)
 &rst
  ixpk= 901, nxpk= 10, iat=1414,1431, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   94 GLN  HB+          93 ILE  HN          5.50    (#    902:10  Unique         4.57, 5.43 A)
 &rst
  ixpk= 902, nxpk= 10, iat=  -1,1431, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1454,1455,
 &end
#
#   93 ILE  HB           93 ILE  HN          2.80    (#    903:10  Unique         2.52, 2.62 A)
 &rst
  ixpk= 903, nxpk= 10, iat=1435,1431, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   93 ILE  HG1-         93 ILE  HN          3.50    (#    904:10  Unique         1.91, 2.73 A)
 &rst
  ixpk= 904, nxpk= 10, iat=  -1,1431, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1441,1442,
 &end
#
#   93 ILE  HG1+         93 ILE  HN          3.50    (#    905:10  Unique         1.91, 2.73 A)
 &rst
  ixpk= 905, nxpk= 10, iat=  -1,1431, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1441,1442,
 &end
#
#    0 AMB  10-2:906     93 ILE  HN          3.50    (#    906:10  Single Ambig)
 &rst
  ixpk= 906, nxpk= 10, iat=  -1,1431, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1425,1426,1427,1437,1438,1439,
 &end
#
#   93 ILE  QD1          93 ILE  HN          3.50    (#    907:10  Unique         2.32, 3.91 A)
 &rst
  ixpk= 907, nxpk= 10, iat=  -1,1431, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1444,1445,1446,
 &end
#
#   92 ILE  QG2          93 ILE  HN          3.50    (#    908:10  Unique         2.63, 3.92 A)
 &rst
  ixpk= 908, nxpk= 10, iat=  -1,1431, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1418,1419,1420,
 &end
#
#  122 TYR  HN          121 ARG  HN          3.50    (#    909:10  Unique         2.40, 2.67 A)
 &rst
  ixpk= 909, nxpk= 10, iat=1907,1883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 ASN  HA          121 ARG  HN          4.50    (#    910:10  Unique         3.07, 3.24 A)
 &rst
  ixpk= 910, nxpk= 10, iat=1837,1883, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  120 LEU  HB-         121 ARG  HN          3.50    (#    911:10  Unique         2.34, 3.26 A)
 &rst
  ixpk= 911, nxpk= 10, iat=  -1,1883, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1868,1869,
 &end
#
#  121 ARG  HB+         121 ARG  HN          3.50    (#    912:10  Unique         2.07, 2.74 A)
 &rst
  ixpk= 912, nxpk= 10, iat=  -1,1883, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1887,1888,
 &end
#
#    0 AMB  10-2:913    121 ARG  HN          4.50    (#    913:10  Single Ambig)
 &rst
  ixpk= 913, nxpk= 10, iat=  -1,1883, r1= 0.00, r2= 1.80, r3= 6.22, r4= 6.97,
 igr1=1871,1825,1826,1827,1829,1830,1831,
 &end
#
#  121 ARG  HB-         121 ARG  HN          2.80    (#    914:10  Unique         2.07, 2.74 A)
 &rst
  ixpk= 914, nxpk= 10, iat=  -1,1883, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1887,1888,
 &end
#
#    0 AMB  10-2:915    121 ARG  HN          4.50    (#    915:10  Single Ambig)
 &rst
  ixpk= 915, nxpk= 10, iat=  -1,1883, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 195, 196, 197, 199, 200, 201,1344,1345,1346,1348,
      1349,1350,
 &end
#
#  120 LEU  MDY         121 ARG  HN          5.50    (#    916:10  Unique         4.26, 5.28 A)
 &rst
  ixpk= 916, nxpk= 10, iat=  -1,1883, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
#  120 LEU  HN          121 ARG  HN          3.50    (#    917:10  Unique         2.19, 2.30 A)
 &rst
  ixpk= 917, nxpk= 10, iat=1864,1883, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:918    121 ARG  HN          3.50    (#    918:10  Single Ambig)
 &rst
  ixpk= 918, nxpk= 10, iat=  -1,1883, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 445, 446, 447,1418,1419,1420,
 &end
#
#   12 ASP  HN           11 GLY  HN          3.50    (#    919:10  Unique         2.03, 2.56 A)
 &rst
  ixpk= 919, nxpk= 10, iat= 174, 167, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   27 TYR  HD           11 GLY  HN          4.50    (#    920:10  Unique         2.87, 5.02 A)
 &rst
  ixpk= 920, nxpk= 10, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 459, 468,
 &end
#
#   28 VAL  HA           11 GLY  HN          3.50    (#    921:10  Unique         2.08, 2.30 A)
 &rst
  ixpk= 921, nxpk= 10, iat= 474, 167, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   11 GLY  HA-          11 GLY  HN          3.50    (#    922:10  Unique         2.29, 2.58 A)
 &rst
  ixpk= 922, nxpk= 10, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 169, 170,
 &end
#
#   10 PRO  HA           11 GLY  HN          2.80    (#    923:10  Unique         2.16, 2.21 A)
 &rst
  ixpk= 923, nxpk= 10, iat= 163, 167, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   11 GLY  HA+          11 GLY  HN          3.50    (#    924:10  Unique         2.29, 2.58 A)
 &rst
  ixpk= 924, nxpk= 10, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 169, 170,
 &end
#
#   10 PRO  HB-          11 GLY  HN          4.50    (#    925:10  Unique         2.85, 3.51 A)
 &rst
  ixpk= 925, nxpk= 10, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 160, 161,
 &end
#
#    0 AMB  10-2:926     11 GLY  HN          5.50    (#    926:10  Single Ambig)
 &rst
  ixpk= 926, nxpk= 10, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 135, 136, 124, 125,
 &end
#
#    0 AMB  10-2:927     11 GLY  HN          4.50    (#    927:10  Single Ambig)
 &rst
  ixpk= 927, nxpk= 10, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1425,1426,1427,1437,1438,1439,
 &end
#
#   93 ILE  QD1          11 GLY  HN          3.50    (#    928:10  Unique         2.07, 4.09 A)
 &rst
  ixpk= 928, nxpk= 10, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1444,1445,1446,
 &end
#
#   81 ASP  HB+          80 HIS  HN          5.50    (#    930:10  Unique         3.92, 5.00 A)
 &rst
  ixpk= 930, nxpk= 10, iat=  -1,1226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1247,1248,
 &end
#
#   79 LYS  HG-          80 HIS  HN          5.50    (#    931:10  Unique         3.33, 4.89 A)
 &rst
  ixpk= 931, nxpk= 10, iat=  -1,1226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1211,1212,
 &end
#
#   83 LYS  HG+          80 HIS  HN          5.50    (#    932:10  Unique         5.26, 6.28 A)
 &rst
  ixpk= 932, nxpk= 10, iat=  -1,1226, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1274,1275,
 &end
#
#   81 ASP  HN           80 HIS  HN          2.80    (#    933:10  Unique         2.58, 2.87 A)
 &rst
  ixpk= 933, nxpk= 10, iat=1243,1226, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   80 HIS  HD2          80 HIS  HN          3.50    (#    934:10  Unique         2.93, 3.38 A)
 &rst
  ixpk= 934, nxpk= 10, iat=1239,1226, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   80 HIS  HA           80 HIS  HN          3.50    (#    935:10  Unique         2.28, 2.58 A)
 &rst
  ixpk= 935, nxpk= 10, iat=1228,1226, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   79 LYS  HA           80 HIS  HN          4.50    (#    937:10  Unique         2.15, 2.79 A)
 &rst
  ixpk= 937, nxpk= 10, iat=1206,1226, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   80 HIS  HB-          80 HIS  HN          3.50    (#    938:10  Unique         2.52, 3.52 A)
 &rst
  ixpk= 938, nxpk= 10, iat=  -1,1226, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1230,1231,
 &end
#
#   80 HIS  HB+          80 HIS  HN          3.50    (#    939:10  Unique         2.52, 3.52 A)
 &rst
  ixpk= 939, nxpk= 10, iat=  -1,1226, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1230,1231,
 &end
#
#   79 LYS  HB-          80 HIS  HN          3.50    (#    940:10  Unique         1.79, 3.33 A)
 &rst
  ixpk= 940, nxpk= 10, iat=  -1,1226, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1208,1209,
 &end
#
#   79 LYS  HB+          80 HIS  HN          3.50    (#    941:10  Unique         1.79, 3.33 A)
 &rst
  ixpk= 941, nxpk= 10, iat=  -1,1226, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1208,1209,
 &end
#
#   99 LEU  HA          102 GLN  HE2+        3.50    (#    944:10  Unique         1.97, 3.05 A)
 &rst
  ixpk= 944, nxpk= 10, iat=1533,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1585,1586,
 &end
#
#  102 GLN  HB+         102 GLN  HE2+        5.50    (#    945:10  Unique         2.18, 4.12 A)
 &rst
  ixpk= 945, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1577,1578,
 igr2=1585,1586,
 &end
#
#    0 AMB  10-2:946      0 AMB  10-1:946    4.50    (#    946:10  Double Ambig)
 &rst
  ixpk= 946, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.58, r4= 9.33,
 igr1= 904, 905, 906, 908, 909, 910,1540,1541,1542,1544,
      1545,1546,
 igr2=1585,1586,1585,1586,
 &end
#
#   99 LEU  HA          102 GLN  HE2-        4.50    (#    948:10  Unique         1.97, 3.05 A)
 &rst
  ixpk= 948, nxpk= 10, iat=1533,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1585,1586,
 &end
#
#    0 AMB  10-2:949    102 GLN  HE2-        3.50    (#    949:10  Single Ambig)
 &rst
  ixpk= 949, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1580,1581, 902,
 igr2=1585,1586,
 &end
#
#    0 AMB  10-2:950    102 GLN  HE2-        3.50    (#    950:10  Single Ambig)
 &rst
  ixpk= 950, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1= 904, 905, 906, 908, 909, 910,1540,1541,1542,1544,
      1545,1546,
 igr2=1585,1586,
 &end
#
#   98 GLU  HN           97 GLU  HN          3.50    (#    951:10  Unique         2.37, 2.48 A)
 &rst
  ixpk= 951, nxpk= 10, iat=1516,1501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 GLU  HA           97 GLU  HN          3.50    (#    952:10  Unique         2.83, 2.87 A)
 &rst
  ixpk= 952, nxpk= 10, iat=1503,1501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   97 GLU  HG-          97 GLU  HN          3.50    (#    953:10  Unique         2.05, 2.73 A)
 &rst
  ixpk= 953, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1508,1509,
 &end
#
#   97 GLU  HG+          97 GLU  HN          2.80    (#    954:10  Unique         2.05, 2.73 A)
 &rst
  ixpk= 954, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1508,1509,
 &end
#
#   97 GLU  HB+          97 GLU  HN          2.80    (#    955:10  Unique         2.47, 3.09 A)
 &rst
  ixpk= 955, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1505,1506,
 &end
#
#   96 ALA  MB           97 GLU  HN          2.80    (#    956:10  Unique         2.53, 3.29 A)
 &rst
  ixpk= 956, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1495,1496,1497,
 &end
#
#    0 AMB  10-2:957     97 GLU  HN          4.50    (#    957:10  Single Ambig)
 &rst
  ixpk= 957, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 6.49, r4= 7.24,
 igr1=1437,1438,1439,1540,1541,1542,1544,1545,1546,
 &end
#
#    0 AMB  10-2:958     97 GLU  HN          4.50    (#    958:10  Single Ambig)
 &rst
  ixpk= 958, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 557, 558, 559, 561, 562, 563, 478, 479, 480, 482,
       483, 484,
 &end
#
#   93 ILE  HA           97 GLU  HN          5.50    (#    959:10  Unique         3.92, 4.01 A)
 &rst
  ixpk= 959, nxpk= 10, iat=1433,1501, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 VAL  MGX          97 GLU  HN          5.50    (#    960:10  Unique         4.47, 6.41 A)
 &rst
  ixpk= 960, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1556,1557,1558,1560,1561,1562,
 &end
#
#   56 ASP  HN           55 THR  HN          4.50    (#    961:10  Unique         2.27, 3.79 A)
 &rst
  ixpk= 961, nxpk= 10, iat= 835, 821, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   54 LEU  HN           55 THR  HN          4.50    (#    962:10  Unique         1.90, 3.38 A)
 &rst
  ixpk= 962, nxpk= 10, iat= 802, 821, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   56 ASP  HA           55 THR  HN          4.50    (#    963:10  Unique         4.49, 4.52 A)
 &rst
  ixpk= 963, nxpk= 10, iat= 837, 821, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:964     55 THR  HN          2.80    (#    964:10  Single Ambig)
 &rst
  ixpk= 964, nxpk= 10, iat=  -1, 821, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 804, 823,
 &end
#
#   55 THR  HB           55 THR  HN          4.50    (#    965:10  Unique         3.23, 3.74 A)
 &rst
  ixpk= 965, nxpk= 10, iat= 825, 821, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:966     55 THR  HN          3.50    (#    966:10  Single Ambig)
 &rst
  ixpk= 966, nxpk= 10, iat=  -1, 821, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1= 806, 807, 809,
 &end
#
#   55 THR  MG2          55 THR  HN          4.50    (#    967:10  Unique         2.72, 4.28 A)
 &rst
  ixpk= 967, nxpk= 10, iat=  -1, 821, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 827, 828, 829,
 &end
#
#  107 LYS  HN          112 ASN  HD2+        3.50    (#    968:10  Unique         1.87, 3.32 A)
 &rst
  ixpk= 968, nxpk= 10, iat=1661,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1751,1752,
 &end
#
#  106 TYR  HD          112 ASN  HD2+        4.50    (#    970:10  Unique         1.93, 4.39 A)
 &rst
  ixpk= 970, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1648,1657,
 igr2=1751,1752,
 &end
#
#  112 ASN  HB-         112 ASN  HD2+        3.50    (#    971:10  Unique         2.12, 3.11 A)
 &rst
  ixpk= 971, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1746,1747,
 igr2=1751,1752,
 &end
#
#  106 TYR  HB+         112 ASN  HD2+        5.50    (#    972:10  Unique         1.93, 3.50 A)
 &rst
  ixpk= 972, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1644,1645,
 igr2=1751,1752,
 &end
#
#  112 ASN  HB+         112 ASN  HD2+        3.50    (#    973:10  Unique         2.12, 3.11 A)
 &rst
  ixpk= 973, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1746,1747,
 igr2=1751,1752,
 &end
#
#  107 LYS  HB+         112 ASN  HD2+        3.50    (#    974:10  Unique         2.99, 4.18 A)
 &rst
  ixpk= 974, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1665,1666,
 igr2=1751,1752,
 &end
#
#  109 THR  MG2         112 ASN  HD2+        5.50    (#    975:10  Unique         1.94, 4.70 A)
 &rst
  ixpk= 975, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1708,1709,1710,
 igr2=1751,1752,
 &end
#
#    0 AMB  10-2:976      0 AMB  10-1:976    5.50    (#    976:10  Double Ambig)
 &rst
  ixpk= 976, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1706,1704,
 igr2=1751,1752,1751,1752,
 &end
#
#    0 AMB  10-2:977      0 AMB  10-1:977    5.50    (#    977:10  Double Ambig)
 &rst
  ixpk= 977, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1685,1663,
 igr2=1751,1752,1751,1752,
 &end
#
#  107 LYS  HN          112 ASN  HD2-        3.50    (#    979:10  Unique         1.87, 3.32 A)
 &rst
  ixpk= 979, nxpk= 10, iat=1661,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1751,1752,
 &end
#
#  109 THR  HN          112 ASN  HD2-        5.50    (#    980:10  Unique         1.86, 3.00 A)
 &rst
  ixpk= 980, nxpk= 10, iat=1702,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1751,1752,
 &end
#
#    0 AMB  10-2:983    112 ASN  HD2-        5.50    (#    983:10  Single Ambig)
 &rst
  ixpk= 983, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1642,1704,
 igr2=1751,1752,
 &end
#
#    0 AMB  10-2:984    112 ASN  HD2-        5.50    (#    984:10  Single Ambig)
 &rst
  ixpk= 984, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1685,1663,
 igr2=1751,1752,
 &end
#
#  112 ASN  HB-         112 ASN  HD2-        3.50    (#    985:10  Unique         2.12, 3.11 A)
 &rst
  ixpk= 985, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1746,1747,
 igr2=1751,1752,
 &end
#
#  106 TYR  HB+         112 ASN  HD2-        4.50    (#    986:10  Unique         1.93, 3.50 A)
 &rst
  ixpk= 986, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1644,1645,
 igr2=1751,1752,
 &end
#
#  112 ASN  HB+         112 ASN  HD2-        3.50    (#    987:10  Unique         2.12, 3.11 A)
 &rst
  ixpk= 987, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1746,1747,
 igr2=1751,1752,
 &end
#
#  107 LYS  HB+         112 ASN  HD2-        3.50    (#    988:10  Unique         2.99, 4.18 A)
 &rst
  ixpk= 988, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1665,1666,
 igr2=1751,1752,
 &end
#
#  109 THR  MG2         112 ASN  HD2-        4.50    (#    989:10  Unique         1.94, 4.70 A)
 &rst
  ixpk= 989, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1708,1709,1710,
 igr2=1751,1752,
 &end
#
#   21 TYR  HN           20 PHE  HN          2.80    (#    990:10  Unique         2.09, 2.28 A)
 &rst
  ixpk= 990, nxpk= 10, iat= 336, 316, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   19 PRO  HA           20 PHE  HN          3.50    (#    992:10  Unique         3.39, 3.42 A)
 &rst
  ixpk= 992, nxpk= 10, iat= 312, 316, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   20 PHE  HB+          20 PHE  HN          3.50    (#    993:10  Unique         2.21, 2.92 A)
 &rst
  ixpk= 993, nxpk= 10, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 320, 321,
 &end
#
#   20 PHE  HB-          20 PHE  HN          3.50    (#    994:10  Unique         2.21, 2.92 A)
 &rst
  ixpk= 994, nxpk= 10, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 320, 321,
 &end
#
#   19 PRO  HG+          20 PHE  HN          5.50    (#    995:10  Unique         2.45, 3.60 A)
 &rst
  ixpk= 995, nxpk= 10, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 306, 307,
 &end
#
#    0 AMB  10-2:996     20 PHE  HN          3.50    (#    996:10  Single Ambig)
 &rst
  ixpk= 996, nxpk= 10, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 306, 307, 309, 310,
 &end
#
#   18 ARG  HB+          20 PHE  HN          4.50    (#    997:10  Unique         2.10, 2.85 A)
 &rst
  ixpk= 997, nxpk= 10, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 282, 283,
 &end
#
#    0 AMB  10-2:998     20 PHE  HN          3.50    (#    998:10  Single Ambig)
 &rst
  ixpk= 998, nxpk= 10, iat=  -1, 316, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 309, 310, 285, 286,
 &end
#
#   95 ARG  HA           94 GLN  HE2+        5.50    (#   1000:10  Unique         2.64, 5.56 A)
 &rst
  ixpk= 1000, nxpk= 10, iat=1469,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1462,1463,
 &end
#
#    0 AMB  10-2:1001     0 AMB  10-1:1001   3.50    (#   1001:10  Double Ambig)
 &rst
  ixpk= 1001, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1457,1458,1523,1524,
 igr2=1462,1463,1462,1463,
 &end
#
#   15 GLU  HB-          75 GLN  HE2-        5.50    (#   1004:10  Unique         1.94, 4.38 A)
 &rst
  ixpk= 1004, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 228, 229,
 igr2=1155,1156,
 &end
#
#   77 ASN  HD2-         75 GLN  HE2-        5.50    (#   1005:10  Unique         2.73, 6.27 A)
 &rst
  ixpk= 1005, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1185,1186,
 igr2=1155,1156,
 &end
#
#   17 PHE  HD           75 GLN  HE2-        3.50    (#   1006:10  Unique         2.19, 5.04 A)
 &rst
  ixpk= 1006, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 266, 274,
 igr2=1155,1156,
 &end
#
#   77 ASN  HB+          75 GLN  HE2-        4.50    (#   1009:10  Unique         1.95, 4.76 A)
 &rst
  ixpk= 1009, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1180,1181,
 igr2=1155,1156,
 &end
#
#   75 GLN  HG+          75 GLN  HE2-        3.50    (#   1011:10  Unique         2.12, 3.18 A)
 &rst
  ixpk= 1011, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1150,1151,
 igr2=1155,1156,
 &end
#
#   12 ASP  HA           78 ASN  HD2+        4.50    (#   1012:10  Unique         1.94, 3.38 A)
 &rst
  ixpk= 1012, nxpk= 10, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1199,1200,
 &end
#
#   78 ASN  HB-          78 ASN  HD2+        3.50    (#   1013:10  Unique         2.11, 3.39 A)
 &rst
  ixpk= 1013, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1194,1195,
 igr2=1199,1200,
 &end
#
#    0 AMB  10-2:1014     0 AMB  10-1:1014   3.50    (#   1014:10  Double Ambig)
 &rst
  ixpk= 1014, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1= 190, 191,1194,1195,
 igr2=1199,1200,1199,1200,
 &end
#
#   76 VAL  MGY          78 ASN  HD2+        3.50    (#   1015:10  Unique         2.03, 5.02 A)
 &rst
  ixpk= 1015, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1166,1167,1168,1170,1171,1172,
 igr2=1199,1200,
 &end
#
#   78 ASN  HB-          78 ASN  HD2-        3.50    (#   1016:10  Unique         2.11, 3.39 A)
 &rst
  ixpk= 1016, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1194,1195,
 igr2=1199,1200,
 &end
#
#   12 ASP  HA           78 ASN  HD2-        3.50    (#   1017:10  Unique         1.94, 3.38 A)
 &rst
  ixpk= 1017, nxpk= 10, iat= 176,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1199,1200,
 &end
#
#    0 AMB  10-2:1018    78 ASN  HD2-        3.50    (#   1018:10  Single Ambig)
 &rst
  ixpk= 1018, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 190, 191,1194,1195,
 igr2=1199,1200,
 &end
#
#   76 VAL  MGY          78 ASN  HD2-        3.50    (#   1019:10  Unique         2.03, 5.02 A)
 &rst
  ixpk= 1019, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1166,1167,1168,1170,1171,1172,
 igr2=1199,1200,
 &end
#
#   77 ASN  HD2-         75 GLN  HE2+        5.50    (#   1020:10  Unique         2.73, 6.27 A)
 &rst
  ixpk= 1020, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1185,1186,
 igr2=1155,1156,
 &end
#
#   17 PHE  HD           75 GLN  HE2+        2.80    (#   1022:10  Unique         2.19, 5.04 A)
 &rst
  ixpk= 1022, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1= 266, 274,
 igr2=1155,1156,
 &end
#
#   77 ASN  HB+          75 GLN  HE2+        5.50    (#   1024:10  Unique         1.95, 4.76 A)
 &rst
  ixpk= 1024, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1180,1181,
 igr2=1155,1156,
 &end
#
#   75 GLN  HG+          75 GLN  HE2+        4.50    (#   1026:10  Unique         2.12, 3.18 A)
 &rst
  ixpk= 1026, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1150,1151,
 igr2=1155,1156,
 &end
#
#  123 GLY  HN          122 TYR  HN          2.80    (#   1027:10  Unique         2.09, 2.32 A)
 &rst
  ixpk= 1027, nxpk= 10, iat=1928,1907, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  121 ARG  HN          122 TYR  HN          3.50    (#   1028:10  Unique         2.40, 2.67 A)
 &rst
  ixpk= 1028, nxpk= 10, iat=1883,1907, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  124 VAL  HN          122 TYR  HN          4.50    (#   1030:10  Unique         3.88, 4.35 A)
 &rst
  ixpk= 1030, nxpk= 10, iat=1935,1907, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:1032   122 TYR  HN          4.50    (#   1032:10  Single Ambig)
 &rst
  ixpk= 1032, nxpk= 10, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1915,1924,1864,
 &end
#
#  122 TYR  HA          122 TYR  HN          3.50    (#   1033:10  Unique         2.91, 2.94 A)
 &rst
  ixpk= 1033, nxpk= 10, iat=1909,1907, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  118 ASN  HA          122 TYR  HN          5.50    (#   1034:10  Unique         3.60, 3.78 A)
 &rst
  ixpk= 1034, nxpk= 10, iat=1837,1907, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1035   122 TYR  HN          3.50    (#   1035:10  Single Ambig)
 &rst
  ixpk= 1035, nxpk= 10, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1885,1866,
 &end
#
#  119 GLU  HA          122 TYR  HN          4.50    (#   1036:10  Unique         3.72, 3.98 A)
 &rst
  ixpk= 1036, nxpk= 10, iat=1851,1907, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  122 TYR  HB-         122 TYR  HN          3.50    (#   1037:10  Unique         2.31, 2.92 A)
 &rst
  ixpk= 1037, nxpk= 10, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1911,1912,
 &end
#
#    0 AMB  10-2:1038   122 TYR  HN          3.50    (#   1038:10  Single Ambig)
 &rst
  ixpk= 1038, nxpk= 10, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1911,1912,1893,1894,
 &end
#
#  121 ARG  HB+         122 TYR  HN          3.50    (#   1039:10  Unique         2.36, 3.34 A)
 &rst
  ixpk= 1039, nxpk= 10, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1887,1888,
 &end
#
#  121 ARG  HB-         122 TYR  HN          3.50    (#   1040:10  Unique         2.36, 3.34 A)
 &rst
  ixpk= 1040, nxpk= 10, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1887,1888,
 &end
#
#   87 LEU  MDY         122 TYR  HN          5.50    (#   1041:10  Unique         2.80, 5.96 A)
 &rst
  ixpk= 1041, nxpk= 10, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1344,1345,1346,1348,1349,1350,
 &end
#
#    0 AMB  10-2:1042    33 VAL  HN          3.50    (#   1042:10  Single Ambig)
 &rst
  ixpk= 1042, nxpk= 10, iat=  -1, 535, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 958, 992,
 &end
#
#   32 TYR  HD           33 VAL  HN          3.50    (#   1043:10  Unique         3.02, 4.68 A)
 &rst
  ixpk= 1043, nxpk= 10, iat=  -1, 535, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 522, 531,
 &end
#
#   33 VAL  HA           33 VAL  HN          4.50    (#   1044:10  Unique         2.93, 2.94 A)
 &rst
  ixpk= 1044, nxpk= 10, iat= 537, 535, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   32 TYR  HA           33 VAL  HN          2.80    (#   1045:10  Unique         2.14, 2.30 A)
 &rst
  ixpk= 1045, nxpk= 10, iat= 516, 535, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   64 LEU  HA           33 VAL  HN          3.50    (#   1046:10  Unique         3.54, 3.64 A)
 &rst
  ixpk= 1046, nxpk= 10, iat= 975, 535, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 TYR  HB-          33 VAL  HN          3.50    (#   1047:10  Unique         1.80, 3.48 A)
 &rst
  ixpk= 1047, nxpk= 10, iat=  -1, 535, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 518, 519,
 &end
#
#   32 TYR  HB+          33 VAL  HN          3.50    (#   1048:10  Unique         1.80, 3.48 A)
 &rst
  ixpk= 1048, nxpk= 10, iat=  -1, 535, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 518, 519,
 &end
#
#    0 AMB  10-2:1049    33 VAL  HN          4.50    (#   1049:10  Single Ambig)
 &rst
  ixpk= 1049, nxpk= 10, iat=  -1, 535, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 996, 997, 977, 978,
 &end
#
#   33 VAL  MGX          33 VAL  HN          3.50    (#   1050:10  Unique         2.10, 3.48 A)
 &rst
  ixpk= 1050, nxpk= 10, iat=  -1, 535, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 541, 542, 543, 545, 546, 547,
 &end
#
#   28 VAL  MGY          33 VAL  HN          4.50    (#   1051:10  Unique         3.83, 5.44 A)
 &rst
  ixpk= 1051, nxpk= 10, iat=  -1, 535, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 478, 479, 480, 482, 483, 484,
 &end
#
#    0 AMB  10-2:1052    33 VAL  HN          2.80    (#   1052:10  Single Ambig)
 &rst
  ixpk= 1052, nxpk= 10, iat=  -1, 535, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1= 541, 542, 543, 545, 546, 547,1050,1051,1052,1054,
      1055,1056,
 &end
#
#   64 LEU  MDX          33 VAL  HN          5.50    (#   1053:10  Unique         4.53, 7.09 A)
 &rst
  ixpk= 1053, nxpk= 10, iat=  -1, 535, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 982, 983, 984, 986, 987, 988,
 &end
#
#   33 VAL  HB           33 VAL  HN          5.50    (#   1054:10  Unique         3.78, 3.84 A)
 &rst
  ixpk= 1054, nxpk= 10, iat= 539, 535, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   75 GLN  HE2-         77 ASN  HD2-        5.50    (#   1055:10  Unique         2.73, 6.27 A)
 &rst
  ixpk= 1055, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1155,1156,
 igr2=1185,1186,
 &end
#
#   24 TRP  HZ2          77 ASN  HD2-        5.50    (#   1056:10  Unique         2.98, 4.40 A)
 &rst
  ixpk= 1056, nxpk= 10, iat= 411,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1185,1186,
 &end
#
#   24 TRP  HH2          77 ASN  HD2-        3.50    (#   1057:10  Unique         1.96, 3.39 A)
 &rst
  ixpk= 1057, nxpk= 10, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1185,1186,
 &end
#
#   77 ASN  HB-          77 ASN  HD2-        3.50    (#   1059:10  Unique         2.12, 3.21 A)
 &rst
  ixpk= 1059, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1180,1181,
 igr2=1185,1186,
 &end
#
#   77 ASN  HB+          77 ASN  HD2-        3.50    (#   1060:10  Unique         2.12, 3.21 A)
 &rst
  ixpk= 1060, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1180,1181,
 igr2=1185,1186,
 &end
#
#    0 AMB  10-2:1061    77 ASN  HD2-        4.50    (#   1061:10  Single Ambig)
 &rst
  ixpk= 1061, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.36, r4= 7.11,
 igr1= 228, 229,1214,1215,
 igr2=1185,1186,
 &end
#
#   24 TRP  HH2          77 ASN  HD2+        4.50    (#   1063:10  Unique         1.96, 3.39 A)
 &rst
  ixpk= 1063, nxpk= 10, iat= 413,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1185,1186,
 &end
#
#   77 ASN  HB-          77 ASN  HD2+        4.50    (#   1064:10  Unique         2.12, 3.21 A)
 &rst
  ixpk= 1064, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1180,1181,
 igr2=1185,1186,
 &end
#
#   79 LYS  HE+          77 ASN  HD2+        4.50    (#   1065:10  Unique         1.97, 5.11 A)
 &rst
  ixpk= 1065, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1217,1218,
 igr2=1185,1186,
 &end
#
#   77 ASN  HB+          77 ASN  HD2+        3.50    (#   1066:10  Unique         2.12, 3.21 A)
 &rst
  ixpk= 1066, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1180,1181,
 igr2=1185,1186,
 &end
#
#   79 LYS  HD+          77 ASN  HD2+        3.50    (#   1067:10  Unique         2.68, 4.33 A)
 &rst
  ixpk= 1067, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1214,1215,
 igr2=1185,1186,
 &end
#
#   45 ALA  HA           46 GLY  HN          3.50    (#   1069:10  Unique         2.15, 2.47 A)
 &rst
  ixpk= 1069, nxpk= 10, iat= 702, 710, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   46 GLY  HA+          46 GLY  HN          3.50    (#   1070:10  Unique         2.30, 2.71 A)
 &rst
  ixpk= 1070, nxpk= 10, iat=  -1, 710, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 712, 713,
 &end
#
#  118 ASN  HN          117 VAL  HN          3.50    (#   1071:10  Unique         2.57, 2.75 A)
 &rst
  ixpk= 1071, nxpk= 10, iat=1835,1819, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  116 PHE  HN          117 VAL  HN          3.50    (#   1072:10  Unique         2.67, 2.84 A)
 &rst
  ixpk= 1072, nxpk= 10, iat=1799,1819, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  116 PHE  HD          117 VAL  HN          3.50    (#   1073:10  Unique         2.51, 3.74 A)
 &rst
  ixpk= 1073, nxpk= 10, iat=  -1,1819, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1807,1815,
 &end
#
#  116 PHE  HA          117 VAL  HN          3.50    (#   1074:10  Unique         3.55, 3.57 A)
 &rst
  ixpk= 1074, nxpk= 10, iat=1801,1819, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  117 VAL  HA          117 VAL  HN          3.50    (#   1075:10  Unique         2.75, 2.77 A)
 &rst
  ixpk= 1075, nxpk= 10, iat=1821,1819, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  116 PHE  HB-         117 VAL  HN          3.50    (#   1076:10  Unique         2.36, 3.19 A)
 &rst
  ixpk= 1076, nxpk= 10, iat=  -1,1819, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1803,1804,
 &end
#
#  116 PHE  HB+         117 VAL  HN          3.50    (#   1077:10  Unique         2.36, 3.19 A)
 &rst
  ixpk= 1077, nxpk= 10, iat=  -1,1819, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1803,1804,
 &end
#
#  117 VAL  HB          117 VAL  HN          5.50    (#   1078:10  Unique         2.59, 3.51 A)
 &rst
  ixpk= 1078, nxpk= 10, iat=1823,1819, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  117 VAL  MGX         117 VAL  HN          2.80    (#   1079:10  Unique         1.93, 3.09 A)
 &rst
  ixpk= 1079, nxpk= 10, iat=  -1,1819, r1= 0.00, r2= 1.80, r3= 3.77, r4= 4.52,
 igr1=1825,1826,1827,1829,1830,1831,
 &end
#
#  117 VAL  MGY         117 VAL  HN          3.50    (#   1080:10  Unique         1.93, 3.09 A)
 &rst
  ixpk= 1080, nxpk= 10, iat=  -1,1819, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1825,1826,1827,1829,1830,1831,
 &end
#
#  122 TYR  HN          123 GLY  HN          2.80    (#   1081:10  Unique         2.09, 2.32 A)
 &rst
  ixpk= 1081, nxpk= 10, iat=1907,1928, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#  121 ARG  HN          123 GLY  HN          5.50    (#   1082:10  Unique         4.11, 4.35 A)
 &rst
  ixpk= 1082, nxpk= 10, iat=1883,1928, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  122 TYR  HA          123 GLY  HN          4.50    (#   1083:10  Unique         3.56, 3.57 A)
 &rst
  ixpk= 1083, nxpk= 10, iat=1909,1928, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  123 GLY  HA-         123 GLY  HN          2.80    (#   1084:10  Unique         2.51, 2.79 A)
 &rst
  ixpk= 1084, nxpk= 10, iat=  -1,1928, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1930,1931,
 &end
#
#  119 GLU  HA          123 GLY  HN          3.50    (#   1085:10  Unique         2.36, 2.65 A)
 &rst
  ixpk= 1085, nxpk= 10, iat=1851,1928, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  122 TYR  HB-         123 GLY  HN          5.50    (#   1086:10  Unique         2.02, 3.00 A)
 &rst
  ixpk= 1086, nxpk= 10, iat=  -1,1928, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1911,1912,
 &end
#
#  122 TYR  HB+         123 GLY  HN          4.50    (#   1087:10  Unique         2.02, 3.00 A)
 &rst
  ixpk= 1087, nxpk= 10, iat=  -1,1928, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1911,1912,
 &end
#
#    0 AMB  10-2:1088   123 GLY  HN          5.50    (#   1088:10  Single Ambig)
 &rst
  ixpk= 1088, nxpk= 10, iat=  -1,1928, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1856,1857,1853,1854,
 &end
#
#    0 AMB  10-2:1089   123 GLY  HN          5.50    (#   1089:10  Single Ambig)
 &rst
  ixpk= 1089, nxpk= 10, iat=  -1,1928, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1=1887,1888,1342,1339,1340,
 &end
#
#   87 LEU  MDX         123 GLY  HN          5.50    (#   1090:10  Unique         3.40, 5.77 A)
 &rst
  ixpk= 1090, nxpk= 10, iat=  -1,1928, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1344,1345,1346,1348,1349,1350,
 &end
#
#  124 VAL  HN          123 GLY  HN          3.50    (#   1091:10  Unique         1.89, 2.24 A)
 &rst
  ixpk= 1091, nxpk= 10, iat=1935,1928, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#  123 GLY  HA+         123 GLY  HN          2.80    (#   1092:10  Unique         2.51, 2.79 A)
 &rst
  ixpk= 1092, nxpk= 10, iat=  -1,1928, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1930,1931,
 &end
#
#   87 LEU  MDY         123 GLY  HN          3.50    (#   1093:10  Unique         3.40, 5.77 A)
 &rst
  ixpk= 1093, nxpk= 10, iat=  -1,1928, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1344,1345,1346,1348,1349,1350,
 &end
#
#  114 GLU  HG-         118 ASN  HD2+        3.50    (#   1094:10  Unique         2.44, 3.85 A)
 &rst
  ixpk= 1094, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1774,1775,
 igr2=1844,1845,
 &end
#
#  118 ASN  HN          118 ASN  HD2+        4.50    (#   1095:10  Unique         2.40, 3.43 A)
 &rst
  ixpk= 1095, nxpk= 10, iat=1835,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1844,1845,
 &end
#
#  115 HIS  HA          118 ASN  HD2+        4.50    (#   1096:10  Unique         4.15, 4.88 A)
 &rst
  ixpk= 1096, nxpk= 10, iat=1784,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1844,1845,
 &end
#
#  118 ASN  HB-         118 ASN  HD2+        3.50    (#   1097:10  Unique         2.66, 3.52 A)
 &rst
  ixpk= 1097, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1839,1840,
 igr2=1844,1845,
 &end
#
#  118 ASN  HB+         118 ASN  HD2+        3.50    (#   1098:10  Unique         2.66, 3.52 A)
 &rst
  ixpk= 1098, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1839,1840,
 igr2=1844,1845,
 &end
#
#    0 AMB  10-2:1099     0 AMB  10-1:1099   3.50    (#   1099:10  Double Ambig)
 &rst
  ixpk= 1099, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1774,1775,1887,1888,
 igr2=1844,1845,1844,1845,
 &end
#
#  117 VAL  MGX         118 ASN  HD2+        3.50    (#   1100:10  Unique         1.93, 5.16 A)
 &rst
  ixpk= 1100, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1825,1826,1827,1829,1830,1831,
 igr2=1844,1845,
 &end
#
#   81 ASP  HB+          81 ASP  HN          2.80    (#   1102:10  Unique         2.18, 2.63 A)
 &rst
  ixpk= 1102, nxpk= 10, iat=  -1,1243, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1247,1248,
 &end
#
#    0 AMB  10-2:1103     0 AMB  10-1:1103   4.50    (#   1103:10  Double Ambig)
 &rst
  ixpk= 1103, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1013,1720,1721,
 igr2=1060,1756,
 &end
#
#  120 LEU  HB-         120 LEU  HN          2.80    (#   1104:10  Unique         2.81, 3.25 A)
 &rst
  ixpk= 1104, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1868,1869,
 &end
#
#   64 LEU  HB+          67 ASP  HN          3.50    (#   1105:10  Unique         2.55, 3.23 A)
 &rst
  ixpk= 1105, nxpk= 10, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 977, 978,
 &end
#
#   15 GLU  HB-          75 GLN  HN          5.50    (#   1106:10  Unique         3.23, 4.18 A)
 &rst
  ixpk= 1106, nxpk= 10, iat=  -1,1143, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 228, 229,
 &end
#
#    0 AMB  10-2:1107   121 ARG  HN          3.50    (#   1107:10  Single Ambig)
 &rst
  ixpk= 1107, nxpk= 10, iat=  -1,1883, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1885,1866,
 &end
#
#    0 AMB  10-2:1108     0 AMB  10-1:1108   2.80    (#   1108:10  Double Ambig)
 &rst
  ixpk= 1108, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1580,1581, 902,
 igr2=1585,1586,1585,1586,
 &end
#
#   16 ILE  HG1+         16 ILE  HN          2.80    (#   1109:10  Unique         1.94, 3.09 A)
 &rst
  ixpk= 1109, nxpk= 10, iat=  -1, 239, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 249, 250,
 &end
#
#  110 SER  HB+          22 ARG  HN          3.50    (#   1111:10  Unique         3.39, 5.06 A)
 &rst
  ixpk= 1111, nxpk= 10, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1720,1721,
 &end
#
#   18 ARG  HD-          22 ARG  HN          5.50    (#   1112:10  Unique         4.53, 6.00 A)
 &rst
  ixpk= 1112, nxpk= 10, iat=  -1, 357, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 288, 289,
 &end
#
#   23 HIS  HN           22 ARG  HN          5.50    (#   1113:10  Unique         4.13, 4.29 A)
 &rst
  ixpk= 1113, nxpk= 10, iat= 381, 357, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1114    24 TRP  HN          3.50    (#   1114:10  Single Ambig)
 &rst
  ixpk= 1114, nxpk= 10, iat=  -1, 398, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1760,1761, 402, 403,
 &end
#
#  117 VAL  MGX          24 TRP  HN          5.50    (#   1116:10  Unique         5.25, 6.76 A)
 &rst
  ixpk= 1116, nxpk= 10, iat=  -1, 398, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1825,1826,1827,1829,1830,1831,
 &end
#
#   33 VAL  HA           26 ILE  HN          5.50    (#   1117:10  Unique         3.90, 4.38 A)
 &rst
  ixpk= 1117, nxpk= 10, iat= 537, 432, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   54 LEU  MDY          54 LEU  HN          5.50    (#   1118:10  Unique         1.94, 4.67 A)
 &rst
  ixpk= 1118, nxpk= 10, iat=  -1, 802, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 811, 812, 813, 815, 816, 817,
 &end
#
#   53 ALA  MB           54 LEU  HN          4.50    (#   1119:10  Unique         2.02, 3.47 A)
 &rst
  ixpk= 1119, nxpk= 10, iat=  -1, 802, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 796, 797, 798,
 &end
#
#    0 AMB  10-2:1120    54 LEU  HN          2.80    (#   1120:10  Single Ambig)
 &rst
  ixpk= 1120, nxpk= 10, iat=  -1, 802, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1= 809, 806, 807,
 &end
#
#   17 PHE  HB+          73 LYS  HN          5.50    (#   1121:10  Unique         3.61, 5.37 A)
 &rst
  ixpk= 1121, nxpk= 10, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 262, 263,
 &end
#
#   79 LYS  HG+          79 LYS  HN          4.50    (#   1122:10  Unique         2.19, 3.44 A)
 &rst
  ixpk= 1122, nxpk= 10, iat=  -1,1204, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1211,1212,
 &end
#
#    0 AMB  10-2:1124     5 ILE  HN          2.80    (#   1124:10  Single Ambig)
 &rst
  ixpk= 1124, nxpk= 10, iat=  -1,  69, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=  71,  65,
 &end
#
#   12 ASP  HB-          13 LEU  HN          5.50    (#   1126:10  Unique         2.06, 3.46 A)
 &rst
  ixpk= 1126, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 178, 179,
 &end
#
#   13 LEU  MDX          13 LEU  HN          4.50    (#   1127:10  Unique         1.93, 4.31 A)
 &rst
  ixpk= 1127, nxpk= 10, iat=  -1, 186, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 195, 196, 197, 199, 200, 201,
 &end
#
#   78 ASN  HB-          79 LYS  HN          4.50    (#   1128:10  Unique         2.43, 3.60 A)
 &rst
  ixpk= 1128, nxpk= 10, iat=  -1,1204, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1194,1195,
 &end
#
#    0 AMB  10-2:1129     0 AMB  10-1:1129   5.50    (#   1129:10  Double Ambig)
 &rst
  ixpk= 1129, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 741, 742,  56,  57,
 igr2= 748,  69,
 &end
#
#   75 GLN  HB-          76 VAL  HN          2.80    (#   1131:10  Unique         2.32, 3.03 A)
 &rst
  ixpk= 1131, nxpk= 10, iat=  -1,1160, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1147,1148,
 &end
#
#   78 ASN  HA           13 LEU  HN          5.50    (#   1132:10  Unique         2.75, 3.48 A)
 &rst
  ixpk= 1132, nxpk= 10, iat=1192, 186, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   13 LEU  HA           13 LEU  HN          4.50    (#   1134:10  Unique         2.79, 2.85 A)
 &rst
  ixpk= 1134, nxpk= 10, iat= 188, 186, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   75 GLN  HG+          15 GLU  HN          5.50    (#   1136:10  Unique         3.35, 4.82 A)
 &rst
  ixpk= 1136, nxpk= 10, iat=  -1, 224, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1150,1151,
 &end
#
#   17 PHE  HN           16 ILE  HN          5.50    (#   1137:10  Unique         4.00, 4.24 A)
 &rst
  ixpk= 1137, nxpk= 10, iat= 258, 239, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1138    17 PHE  HN          5.50    (#   1138:10  Single Ambig)
 &rst
  ixpk= 1138, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 252, 253, 254, 228, 229,
 &end
#
#   22 ARG  HB-          18 ARG  HN          5.50    (#   1139:10  Unique         3.10, 3.80 A)
 &rst
  ixpk= 1139, nxpk= 10, iat=  -1, 278, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 361, 362,
 &end
#
#   17 PHE  HN           18 ARG  HN          5.50    (#   1140:10  Unique         4.11, 4.23 A)
 &rst
  ixpk= 1140, nxpk= 10, iat= 258, 278, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   18 ARG  HG-          23 HIS  HN          5.50    (#   1143:10  Unique         3.77, 5.41 A)
 &rst
  ixpk= 1143, nxpk= 10, iat=  -1, 381, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 285, 286,
 &end
#
#   24 TRP  HN           23 HIS  HN          5.50    (#   1144:10  Unique         3.88, 4.24 A)
 &rst
  ixpk= 1144, nxpk= 10, iat= 398, 381, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1145    25 ALA  HN          5.50    (#   1145:10  Single Ambig)
 &rst
  ixpk= 1145, nxpk= 10, iat=  -1, 422, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 571, 572, 367, 368,
 &end
#
#   13 LEU  HA           25 ALA  HN          5.50    (#   1146:10  Unique         4.64, 5.12 A)
 &rst
  ixpk= 1146, nxpk= 10, iat= 188, 422, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 TRP  HN           25 ALA  HN          5.50    (#   1147:10  Unique         4.48, 4.55 A)
 &rst
  ixpk= 1147, nxpk= 10, iat= 398, 422, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   26 ILE  QD1          26 ILE  HN          4.50    (#   1148:10  Unique         4.73, 5.66 A)
 &rst
  ixpk= 1148, nxpk= 10, iat=  -1, 432, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 445, 446, 447,
 &end
#
#   26 ILE  HN           27 TYR  HN          5.50    (#   1149:10  Unique         3.93, 4.32 A)
 &rst
  ixpk= 1149, nxpk= 10, iat= 432, 451, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 TYR  HB-          28 VAL  HN          5.50    (#   1150:10  Unique         3.79, 4.20 A)
 &rst
  ixpk= 1150, nxpk= 10, iat=  -1, 472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 455, 456,
 &end
#
#   27 TYR  HB+          28 VAL  HN          5.50    (#   1152:10  Unique         3.79, 4.20 A)
 &rst
  ixpk= 1152, nxpk= 10, iat=  -1, 472, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 455, 456,
 &end
#
#   34 VAL  HN           28 VAL  HN          5.50    (#   1153:10  Unique         4.00, 4.50 A)
 &rst
  ixpk= 1153, nxpk= 10, iat= 551, 472, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   27 TYR  HN           28 VAL  HN          4.50    (#   1154:10  Unique         4.33, 4.47 A)
 &rst
  ixpk= 1154, nxpk= 10, iat= 451, 472, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   31 GLY  HA+          31 GLY  HN          2.80    (#   1155:10  Unique         2.30, 2.72 A)
 &rst
  ixpk= 1155, nxpk= 10, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 509, 510,
 &end
#
#   31 GLY  HA-          31 GLY  HN          2.80    (#   1156:10  Unique         2.30, 2.72 A)
 &rst
  ixpk= 1156, nxpk= 10, iat=  -1, 507, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 509, 510,
 &end
#
#   30 ASP  HA           31 GLY  HN          3.50    (#   1157:10  Unique         2.45, 3.27 A)
 &rst
  ixpk= 1157, nxpk= 10, iat= 497, 507, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   32 TYR  HN           31 GLY  HN          2.80    (#   1160:10  Unique         1.86, 2.44 A)
 &rst
  ixpk= 1160, nxpk= 10, iat= 514, 507, r1= 0.00, r2= 1.80, r3= 2.80, r4= 3.55,  &end
#
#   30 ASP  HB-          32 TYR  HN          5.50    (#   1162:10  Unique         2.42, 3.58 A)
 &rst
  ixpk= 1162, nxpk= 10, iat=  -1, 514, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 499, 500,
 &end
#
#   64 LEU  MDY          32 TYR  HN          5.50    (#   1163:10  Unique         2.51, 5.71 A)
 &rst
  ixpk= 1163, nxpk= 10, iat=  -1, 514, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 982, 983, 984, 986, 987, 988,
 &end
#
#   32 TYR  HN           33 VAL  HN          5.50    (#   1164:10  Unique         4.08, 4.49 A)
 &rst
  ixpk= 1164, nxpk= 10, iat= 514, 535, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   62 LYS  HA           33 VAL  HN          5.50    (#   1165:10  Unique         3.83, 4.12 A)
 &rst
  ixpk= 1165, nxpk= 10, iat= 938, 535, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   36 LEU  HN           35 HIS  HN          5.50    (#   1166:10  Unique         4.30, 4.39 A)
 &rst
  ixpk= 1166, nxpk= 10, iat= 584, 567, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1167    36 LEU  HN          5.50    (#   1167:10  Single Ambig)
 &rst
  ixpk= 1167, nxpk= 10, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 567, 914,
 &end
#
#   23 HIS  HE1          36 LEU  HN          4.50    (#   1168:10  Unique         3.90, 4.24 A)
 &rst
  ixpk= 1168, nxpk= 10, iat= 391, 584, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   36 LEU  MDX          36 LEU  HN          4.50    (#   1169:10  Unique         2.85, 4.80 A)
 &rst
  ixpk= 1169, nxpk= 10, iat=  -1, 584, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 593, 594, 595, 597, 598, 599,
 &end
#
#   41 GLU  HB+          41 GLU  HN          4.50    (#   1170:10  Unique         2.08, 3.21 A)
 &rst
  ixpk= 1170, nxpk= 10, iat=  -1, 652, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 656, 657,
 &end
#
#   41 GLU  HB-          41 GLU  HN          5.50    (#   1171:10  Unique         2.08, 3.21 A)
 &rst
  ixpk= 1171, nxpk= 10, iat=  -1, 652, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 656, 657,
 &end
#
#   40 SER  HB+          41 GLU  HN          5.50    (#   1172:10  Unique         2.07, 3.03 A)
 &rst
  ixpk= 1172, nxpk= 10, iat=  -1, 652, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 645, 646,
 &end
#
#   40 SER  HA           41 GLU  HN          3.50    (#   1173:10  Unique         2.17, 2.73 A)
 &rst
  ixpk= 1173, nxpk= 10, iat= 643, 652, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   40 SER  HB+          42 VAL  HN          5.50    (#   1176:10  Unique         3.18, 5.75 A)
 &rst
  ixpk= 1176, nxpk= 10, iat=  -1, 667, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 645, 646,
 &end
#
#   42 VAL  HN           43 ALA  HN          5.50    (#   1177:10  Unique         1.92, 3.65 A)
 &rst
  ixpk= 1177, nxpk= 10, iat= 667, 683, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   50 VAL  MGY          50 VAL  HN          4.50    (#   1179:10  Unique         1.95, 3.74 A)
 &rst
  ixpk= 1179, nxpk= 10, iat=  -1, 748, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 754, 755, 756, 758, 759, 760,
 &end
#
#   50 VAL  HB           50 VAL  HN          4.50    (#   1180:10  Unique         2.57, 3.47 A)
 &rst
  ixpk= 1180, nxpk= 10, iat= 752, 748, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   49 SER  HB+          50 VAL  HN          5.50    (#   1182:10  Unique         1.98, 3.76 A)
 &rst
  ixpk= 1182, nxpk= 10, iat=  -1, 748, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 741, 742,
 &end
#
#   51 MET  HB-          51 MET  HN          5.50    (#   1183:10  Unique         2.14, 3.30 A)
 &rst
  ixpk= 1183, nxpk= 10, iat=  -1, 764, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 768, 769,
 &end
#
#   50 VAL  HB           51 MET  HN          5.50    (#   1184:10  Unique         2.06, 3.51 A)
 &rst
  ixpk= 1184, nxpk= 10, iat= 752, 764, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   50 VAL  HA           51 MET  HN          3.50    (#   1185:10  Unique         2.14, 2.64 A)
 &rst
  ixpk= 1185, nxpk= 10, iat= 750, 764, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   53 ALA  MB           53 ALA  HN          5.50    (#   1188:10  Unique         2.09, 3.35 A)
 &rst
  ixpk= 1188, nxpk= 10, iat=  -1, 792, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 796, 797, 798,
 &end
#
#    0 AMB  10-2:1189    53 ALA  HN          5.50    (#   1189:10  Single Ambig)
 &rst
  ixpk= 1189, nxpk= 10, iat=  -1, 792, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 783, 794,
 &end
#
#    0 AMB  10-2:1191    54 LEU  HN          2.80    (#   1191:10  Single Ambig)
 &rst
  ixpk= 1191, nxpk= 10, iat=  -1, 802, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1= 794, 804,
 &end
#
#    0 AMB  10-2:1194    55 THR  HN          5.50    (#   1194:10  Single Ambig)
 &rst
  ixpk= 1194, nxpk= 10, iat=  -1, 821, r1= 0.00, r2= 1.80, r3= 7.19, r4= 7.94,
 igr1= 796, 797, 798,1668,1669,
 &end
#
#   54 LEU  MDX          55 THR  HN          5.50    (#   1195:10  Unique         2.74, 5.25 A)
 &rst
  ixpk= 1195, nxpk= 10, iat=  -1, 821, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 811, 812, 813, 815, 816, 817,
 &end
#
#   54 LEU  MDY          55 THR  HN          5.50    (#   1196:10  Unique         2.74, 5.25 A)
 &rst
  ixpk= 1196, nxpk= 10, iat=  -1, 821, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 811, 812, 813, 815, 816, 817,
 &end
#
#   57 LYS  HD+          58 ALA  HN          5.50    (#   1197:10  Unique         3.45, 5.59 A)
 &rst
  ixpk= 1197, nxpk= 10, iat=  -1, 869, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 857, 858,
 &end
#
#   57 LYS  HG-          58 ALA  HN          3.50    (#   1198:10  Unique         2.14, 3.87 A)
 &rst
  ixpk= 1198, nxpk= 10, iat=  -1, 869, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 854, 855,
 &end
#
#   59 ILE  HA           59 ILE  HN          3.50    (#   1199:10  Unique         2.90, 2.91 A)
 &rst
  ixpk= 1199, nxpk= 10, iat= 881, 879, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   39 PRO  HA           59 ILE  HN          5.50    (#   1200:10  Unique         4.59, 4.74 A)
 &rst
  ixpk= 1200, nxpk= 10, iat= 637, 879, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1201    59 ILE  HN          5.50    (#   1201:10  Single Ambig)
 &rst
  ixpk= 1201, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 628, 629, 614, 615,
 &end
#
#   59 ILE  HN           60 VAL  HN          5.50    (#   1202:10  Unique         4.33, 4.40 A)
 &rst
  ixpk= 1202, nxpk= 10, iat= 879, 898, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   61 LYS  HN           60 VAL  HN          5.50    (#   1203:10  Unique         4.39, 4.44 A)
 &rst
  ixpk= 1203, nxpk= 10, iat= 914, 898, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   34 VAL  HA           61 LYS  HN          5.50    (#   1205:10  Unique         4.25, 4.42 A)
 &rst
  ixpk= 1205, nxpk= 10, iat= 553, 914, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1206    62 LYS  HN          4.50    (#   1206:10  Single Ambig)
 &rst
  ixpk= 1206, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 965, 966, 962, 963,
 &end
#
#    0 AMB  10-2:1207    62 LYS  HN          2.80    (#   1207:10  Single Ambig)
 &rst
  ixpk= 1207, nxpk= 10, iat=  -1, 936, r1= 0.00, r2= 1.80, r3= 4.24, r4= 4.99,
 igr1=1556,1557,1558,1560,1561,1562, 557, 558, 559, 561,
       562, 563,
 &end
#
#   62 LYS  HN           63 GLU  HN          5.50    (#   1208:10  Unique         4.14, 4.24 A)
 &rst
  ixpk= 1208, nxpk= 10, iat= 936, 958, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   28 VAL  MGY          63 GLU  HN          5.50    (#   1209:10  Unique         5.54, 7.05 A)
 &rst
  ixpk= 1209, nxpk= 10, iat=  -1, 958, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 478, 479, 480, 482, 483, 484,
 &end
#
#    0 AMB  10-2:1210    65 LEU  HN          5.50    (#   1210:10  Single Ambig)
 &rst
  ixpk= 1210, nxpk= 10, iat=  -1, 992, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 522, 531,1032,
 &end
#
#   31 GLY  HA+          65 LEU  HN          5.50    (#   1211:10  Unique         3.13, 4.56 A)
 &rst
  ixpk= 1211, nxpk= 10, iat=  -1, 992, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 509, 510,
 &end
#
#   64 LEU  HG           65 LEU  HN          5.50    (#   1212:10  Unique         3.70, 4.60 A)
 &rst
  ixpk= 1212, nxpk= 10, iat= 980, 992, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   68 VAL  HN           66 TYR  HN          5.50    (#   1213:10  Unique         3.79, 3.95 A)
 &rst
  ixpk= 1213, nxpk= 10, iat=1044,1011, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   64 LEU  HA           66 TYR  HN          5.50    (#   1214:10  Unique         3.69, 3.80 A)
 &rst
  ixpk= 1214, nxpk= 10, iat= 975,1011, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1215    85 SER  HN          5.50    (#   1215:10  Single Ambig)
 &rst
  ixpk= 1215, nxpk= 10, iat=  -1,1310, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1911,1912,1893,1894,
 &end
#
#   65 LEU  MDX          66 TYR  HN          5.50    (#   1216:10  Unique         3.90, 5.51 A)
 &rst
  ixpk= 1216, nxpk= 10, iat=  -1,1011, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1001,1002,1003,1005,1006,1007,
 &end
#
#   64 LEU  HG           66 TYR  HN          5.50    (#   1217:10  Unique         4.38, 5.17 A)
 &rst
  ixpk= 1217, nxpk= 10, iat= 980,1011, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 LEU  HA           67 ASP  HN          5.50    (#   1218:10  Unique         3.70, 4.11 A)
 &rst
  ixpk= 1218, nxpk= 10, iat= 994,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   64 LEU  HG           67 ASP  HN          5.50    (#   1219:10  Unique         5.47, 5.59 A)
 &rst
  ixpk= 1219, nxpk= 10, iat= 980,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   64 LEU  MDX          67 ASP  HN          5.50    (#   1220:10  Unique         4.05, 5.70 A)
 &rst
  ixpk= 1220, nxpk= 10, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 982, 983, 984, 986, 987, 988,
 &end
#
#   64 LEU  HN           67 ASP  HN          5.50    (#   1221:10  Unique         4.58, 4.73 A)
 &rst
  ixpk= 1221, nxpk= 10, iat= 973,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   65 LEU  HN           67 ASP  HN          5.50    (#   1222:10  Unique         4.09, 4.44 A)
 &rst
  ixpk= 1222, nxpk= 10, iat= 992,1032, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1223     0 AMB  10-1:1223   5.50    (#   1223:10  Double Ambig)
 &rst
  ixpk= 1223, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1032,1650,1655,
 igr2=1060,1756,
 &end
#
#   72 ASP  HN           71 SER  HN          5.50    (#   1224:10  Unique         1.84, 2.38 A)
 &rst
  ixpk= 1224, nxpk= 10, iat=1088,1077, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   70 GLY  HA-          71 SER  HN          3.50    (#   1226:10  Unique         2.14, 2.86 A)
 &rst
  ixpk= 1226, nxpk= 10, iat=  -1,1077, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1072,1073,
 &end
#
#   70 GLY  HA+          71 SER  HN          5.50    (#   1227:10  Unique         2.14, 2.86 A)
 &rst
  ixpk= 1227, nxpk= 10, iat=  -1,1077, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1072,1073,
 &end
#
#   71 SER  HB-          72 ASP  HN          3.50    (#   1229:10  Unique         1.87, 3.71 A)
 &rst
  ixpk= 1229, nxpk= 10, iat=  -1,1088, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1081,1082,
 &end
#
#   72 ASP  HB-          72 ASP  HN          3.50    (#   1230:10  Unique         2.17, 3.21 A)
 &rst
  ixpk= 1230, nxpk= 10, iat=  -1,1088, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1092,1093,
 &end
#
#   72 ASP  HB+          73 LYS  HN          3.50    (#   1231:10  Unique         1.92, 2.91 A)
 &rst
  ixpk= 1231, nxpk= 10, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1092,1093,
 &end
#
#   17 PHE  HB-          73 LYS  HN          5.50    (#   1232:10  Unique         3.61, 5.37 A)
 &rst
  ixpk= 1232, nxpk= 10, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 262, 263,
 &end
#
#   72 ASP  HN           73 LYS  HN          5.50    (#   1233:10  Unique         1.80, 4.02 A)
 &rst
  ixpk= 1233, nxpk= 10, iat=1088,1100, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1234    74 TYR  HN          3.50    (#   1234:10  Single Ambig)
 &rst
  ixpk= 1234, nxpk= 10, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1=1107,1108,1064,1065,1066,
 &end
#
#   75 GLN  HN           74 TYR  HN          5.50    (#   1235:10  Unique         4.27, 4.43 A)
 &rst
  ixpk= 1235, nxpk= 10, iat=1143,1122, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   77 ASN  HN           76 VAL  HN          4.50    (#   1236:10  Unique         4.02, 4.26 A)
 &rst
  ixpk= 1236, nxpk= 10, iat=1176,1160, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   13 LEU  HB+          77 ASN  HN          4.50    (#   1237:10  Unique         3.66, 4.28 A)
 &rst
  ixpk= 1237, nxpk= 10, iat=  -1,1176, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 190, 191,
 &end
#
#   76 VAL  HB           77 ASN  HN          5.50    (#   1238:10  Unique         4.25, 4.35 A)
 &rst
  ixpk= 1238, nxpk= 10, iat=1164,1176, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   77 ASN  HB-          78 ASN  HN          5.50    (#   1241:10  Unique         3.77, 4.39 A)
 &rst
  ixpk= 1241, nxpk= 10, iat=  -1,1190, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1180,1181,
 &end
#
#   77 ASN  HB+          78 ASN  HN          4.50    (#   1242:10  Unique         3.77, 4.39 A)
 &rst
  ixpk= 1242, nxpk= 10, iat=  -1,1190, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1180,1181,
 &end
#
#   79 LYS  HA           81 ASP  HN          5.50    (#   1245:10  Unique         4.11, 4.45 A)
 &rst
  ixpk= 1245, nxpk= 10, iat=1206,1243, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1247    82 ASP  HN          3.50    (#   1247:10  Single Ambig)
 &rst
  ixpk= 1247, nxpk= 10, iat=  -1,1255, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1230,1231,1293,1294,
 &end
#
#   83 LYS  HD+          83 LYS  HN          4.50    (#   1249:10  Unique         3.62, 4.46 A)
 &rst
  ixpk= 1249, nxpk= 10, iat=  -1,1267, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1277,1278,
 &end
#
#   83 LYS  HG+          83 LYS  HN          3.50    (#   1250:10  Unique         1.88, 2.85 A)
 &rst
  ixpk= 1250, nxpk= 10, iat=  -1,1267, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1274,1275,
 &end
#
#   80 HIS  HB+          83 LYS  HN          5.50    (#   1251:10  Unique         3.03, 4.06 A)
 &rst
  ixpk= 1251, nxpk= 10, iat=  -1,1267, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1230,1231,
 &end
#
#   81 ASP  HB+          83 LYS  HN          5.50    (#   1252:10  Unique         5.42, 5.74 A)
 &rst
  ixpk= 1252, nxpk= 10, iat=  -1,1267, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1247,1248,
 &end
#
#   82 ASP  HA           83 LYS  HN          3.50    (#   1253:10  Unique         3.39, 3.46 A)
 &rst
  ixpk= 1253, nxpk= 10, iat=1257,1267, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   90 SER  HA           90 SER  HN          5.50    (#   1260:10  Unique         2.70, 2.78 A)
 &rst
  ixpk= 1260, nxpk= 10, iat=1381,1379, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   90 SER  HB+          90 SER  HN          3.50    (#   1261:10  Unique         2.07, 2.84 A)
 &rst
  ixpk= 1261, nxpk= 10, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1383,1384,
 &end
#
#   89 CYS  HB+          90 SER  HN          5.50    (#   1263:10  Unique         2.00, 3.41 A)
 &rst
  ixpk= 1263, nxpk= 10, iat=  -1,1379, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1372,1373,
 &end
#
#   91 LYS  HN           90 SER  HN          5.50    (#   1264:10  Unique         2.72, 2.86 A)
 &rst
  ixpk= 1264, nxpk= 10, iat=1390,1379, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   96 ALA  MB           93 ILE  HN          5.50    (#   1265:10  Unique         4.42, 5.65 A)
 &rst
  ixpk= 1265, nxpk= 10, iat=  -1,1431, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1495,1496,1497,
 &end
#
#   91 LYS  HN           93 ILE  HN          5.50    (#   1266:10  Unique         4.21, 4.46 A)
 &rst
  ixpk= 1266, nxpk= 10, iat=1390,1431, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   95 ARG  HD-          95 ARG  HN          5.50    (#   1267:10  Unique         2.00, 3.82 A)
 &rst
  ixpk= 1267, nxpk= 10, iat=  -1,1467, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1477,1478,
 &end
#
#   93 ILE  HN           95 ARG  HN          5.50    (#   1269:10  Unique         3.81, 4.37 A)
 &rst
  ixpk= 1269, nxpk= 10, iat=1431,1467, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1270    95 ARG  HN          2.80    (#   1270:10  Single Ambig)
 &rst
  ixpk= 1270, nxpk= 10, iat=  -1,1467, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1450,1462,1463,
 &end
#
#    0 AMB  10-2:1271    96 ALA  HN          5.50    (#   1271:10  Single Ambig)
 &rst
  ixpk= 1271, nxpk= 10, iat=  -1,1491, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1508,1509,1523,1524,
 &end
#
#   98 GLU  HB-          97 GLU  HN          4.50    (#   1272:10  Unique         4.12, 4.88 A)
 &rst
  ixpk= 1272, nxpk= 10, iat=  -1,1501, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1520,1521,
 &end
#
#   96 ALA  HA           97 GLU  HN          3.50    (#   1273:10  Unique         3.54, 3.56 A)
 &rst
  ixpk= 1273, nxpk= 10, iat=1493,1501, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   99 LEU  HN           97 GLU  HN          5.50    (#   1274:10  Unique         3.91, 4.12 A)
 &rst
  ixpk= 1274, nxpk= 10, iat=1531,1501, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   95 ARG  HN           97 GLU  HN          5.50    (#   1275:10  Unique         4.02, 4.34 A)
 &rst
  ixpk= 1275, nxpk= 10, iat=1467,1501, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 VAL  MGX          98 GLU  HN          5.50    (#   1276:10  Unique         3.94, 6.31 A)
 &rst
  ixpk= 1276, nxpk= 10, iat=  -1,1516, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1556,1557,1558,1560,1561,1562,
 &end
#
#    0 AMB  10-2:1277    98 GLU  HN          3.50    (#   1277:10  Single Ambig)
 &rst
  ixpk= 1277, nxpk= 10, iat=  -1,1516, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1538,1471,1472,
 &end
#
#   99 LEU  HA           98 GLU  HN          5.50    (#   1278:10  Unique         4.86, 4.91 A)
 &rst
  ixpk= 1278, nxpk= 10, iat=1533,1516, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   97 GLU  HA           98 GLU  HN          3.50    (#   1279:10  Unique         3.32, 3.34 A)
 &rst
  ixpk= 1279, nxpk= 10, iat=1503,1516, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#    0 AMB  10-2:1280    99 LEU  HN          3.50    (#   1280:10  Single Ambig)
 &rst
  ixpk= 1280, nxpk= 10, iat=  -1,1531, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1520,1521,1554,
 &end
#
#   62 LYS  HB+         100 VAL  HN          5.50    (#   1281:10  Unique         5.21, 5.94 A)
 &rst
  ixpk= 1281, nxpk= 10, iat=  -1,1550, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 940, 941,
 &end
#
#   99 LEU  HB-         100 VAL  HN          4.50    (#   1282:10  Unique         2.44, 3.33 A)
 &rst
  ixpk= 1282, nxpk= 10, iat=  -1,1550, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1535,1536,
 &end
#
#  100 VAL  HN          101 GLY  HN          5.50    (#   1283:10  Unique         4.55, 4.62 A)
 &rst
  ixpk= 1283, nxpk= 10, iat=1550,1566, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   60 VAL  HN          101 GLY  HN          5.50    (#   1284:10  Unique         3.53, 3.83 A)
 &rst
  ixpk= 1284, nxpk= 10, iat= 898,1566, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 VAL  MGX         102 GLN  HN          5.50    (#   1285:10  Unique         4.11, 5.55 A)
 &rst
  ixpk= 1285, nxpk= 10, iat=  -1,1573, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1556,1557,1558,1560,1561,1562,
 &end
#
#  103 GLU  HG-         102 GLN  HN          5.50    (#   1286:10  Unique         4.74, 5.64 A)
 &rst
  ixpk= 1286, nxpk= 10, iat=  -1,1573, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1597,1598,
 &end
#
#   99 LEU  HA          102 GLN  HN          5.50    (#   1288:10  Unique         4.58, 5.24 A)
 &rst
  ixpk= 1288, nxpk= 10, iat=1533,1573, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  100 VAL  HN          102 GLN  HN          5.50    (#   1289:10  Unique         4.78, 5.10 A)
 &rst
  ixpk= 1289, nxpk= 10, iat=1550,1573, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   60 VAL  HN          102 GLN  HN          5.50    (#   1290:10  Unique         2.78, 3.26 A)
 &rst
  ixpk= 1290, nxpk= 10, iat= 898,1573, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  103 GLU  HG+         103 GLU  HN          4.50    (#   1293:10  Unique         2.70, 3.55 A)
 &rst
  ixpk= 1293, nxpk= 10, iat=  -1,1590, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1597,1598,
 &end
#
#  102 GLN  HG+         103 GLU  HN          3.50    (#   1294:10  Unique         2.59, 3.92 A)
 &rst
  ixpk= 1294, nxpk= 10, iat=  -1,1590, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1580,1581,
 &end
#
#  103 GLU  HG-         104 VAL  HN          5.50    (#   1296:10  Unique         4.76, 5.01 A)
 &rst
  ixpk= 1296, nxpk= 10, iat=  -1,1605, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1597,1598,
 &end
#
#   59 ILE  HA          104 VAL  HN          3.50    (#   1297:10  Unique         2.13, 2.32 A)
 &rst
  ixpk= 1297, nxpk= 10, iat= 881,1605, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   60 VAL  HN          104 VAL  HN          5.50    (#   1298:10  Unique         3.81, 4.34 A)
 &rst
  ixpk= 1298, nxpk= 10, iat= 898,1605, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  103 GLU  HN          104 VAL  HN          4.50    (#   1299:10  Unique         4.03, 4.11 A)
 &rst
  ixpk= 1299, nxpk= 10, iat=1590,1605, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    6 PRO  HG-           7 GLU  HN          5.50    (#   1301:10  Unique         1.67, 3.06 A)
 &rst
  ixpk= 1301, nxpk= 10, iat=  -1, 102, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=  92,  93,
 &end
#
#  107 LYS  HN          106 TYR  HN          5.50    (#   1303:10  Unique         4.44, 4.54 A)
 &rst
  ixpk= 1303, nxpk= 10, iat=1661,1640, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  106 TYR  HE          106 TYR  HN          5.50    (#   1304:10  Unique         3.98, 4.66 A)
 &rst
  ixpk= 1304, nxpk= 10, iat=  -1,1640, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1650,1655,
 &end
#
#    0 AMB  10-2:1306   108 LEU  HN          2.80    (#   1306:10  Single Ambig)
 &rst
  ixpk= 1306, nxpk= 10, iat=  -1,1683, r1= 0.00, r2= 1.80, r3= 3.36, r4= 4.11,
 igr1=1668,1669,1690,
 &end
#
#  112 ASN  HB-         111 GLU  HN          5.50    (#   1307:10  Unique         4.02, 5.06 A)
 &rst
  ixpk= 1307, nxpk= 10, iat=  -1,1727, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1746,1747,
 &end
#
#  112 ASN  HA          111 GLU  HN          5.50    (#   1308:10  Unique         4.87, 5.02 A)
 &rst
  ixpk= 1308, nxpk= 10, iat=1744,1727, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  115 HIS  HB+         112 ASN  HN          5.50    (#   1310:10  Unique         4.40, 5.12 A)
 &rst
  ixpk= 1310, nxpk= 10, iat=  -1,1742, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1786,1787,
 &end
#
#  115 HIS  HB+         113 CYS  HN          5.50    (#   1311:10  Unique         4.67, 5.34 A)
 &rst
  ixpk= 1311, nxpk= 10, iat=  -1,1756, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1786,1787,
 &end
#
#  115 HIS  HN          113 CYS  HN          5.50    (#   1312:10  Unique         3.92, 4.08 A)
 &rst
  ixpk= 1312, nxpk= 10, iat=1782,1756, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  111 GLU  HA          114 GLU  HN          5.50    (#   1313:10  Unique         3.74, 3.90 A)
 &rst
  ixpk= 1313, nxpk= 10, iat=1729,1767, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1314   114 GLU  HN          5.50    (#   1314:10  Single Ambig)
 &rst
  ixpk= 1314, nxpk= 10, iat=  -1,1767, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1784,1685,
 &end
#
#  114 GLU  HG+         115 HIS  HN          5.50    (#   1316:10  Unique         2.19, 4.73 A)
 &rst
  ixpk= 1316, nxpk= 10, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1774,1775,
 &end
#
#    0 AMB  10-2:1317   115 HIS  HN          5.50    (#   1317:10  Single Ambig)
 &rst
  ixpk= 1317, nxpk= 10, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1825,1826,1827,1829,1830,1831,1955,1956,1957,
 &end
#
#  117 VAL  MGX         115 HIS  HN          5.50    (#   1318:10  Unique         4.11, 5.99 A)
 &rst
  ixpk= 1318, nxpk= 10, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1825,1826,1827,1829,1830,1831,
 &end
#
#  112 ASN  HB+         115 HIS  HN          5.50    (#   1319:10  Unique         5.09, 5.37 A)
 &rst
  ixpk= 1319, nxpk= 10, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1746,1747,
 &end
#
#  116 PHE  HB+         115 HIS  HN          4.50    (#   1321:10  Unique         4.40, 5.07 A)
 &rst
  ixpk= 1321, nxpk= 10, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1803,1804,
 &end
#
#  113 CYS  HB+         115 HIS  HN          5.50    (#   1322:10  Unique         4.61, 5.05 A)
 &rst
  ixpk= 1322, nxpk= 10, iat=  -1,1782, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1760,1761,
 &end
#
#  117 VAL  HN          115 HIS  HN          5.50    (#   1326:10  Unique         4.24, 4.51 A)
 &rst
  ixpk= 1326, nxpk= 10, iat=1819,1782, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  113 CYS  HN          115 HIS  HN          5.50    (#   1327:10  Unique         3.92, 4.08 A)
 &rst
  ixpk= 1327, nxpk= 10, iat=1756,1782, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  117 VAL  MGY         116 PHE  HN          5.50    (#   1328:10  Unique         3.70, 5.34 A)
 &rst
  ixpk= 1328, nxpk= 10, iat=  -1,1799, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1825,1826,1827,1829,1830,1831,
 &end
#
#  117 VAL  MGX         116 PHE  HN          5.50    (#   1329:10  Unique         3.70, 5.34 A)
 &rst
  ixpk= 1329, nxpk= 10, iat=  -1,1799, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1825,1826,1827,1829,1830,1831,
 &end
#
#    0 AMB  10-2:1332   117 VAL  HN          5.50    (#   1332:10  Single Ambig)
 &rst
  ixpk= 1332, nxpk= 10, iat=  -1,1819, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1= 588, 589, 904, 905, 906, 908, 909, 910,
 &end
#
#  118 ASN  HB-         117 VAL  HN          5.50    (#   1334:10  Unique         4.40, 5.34 A)
 &rst
  ixpk= 1334, nxpk= 10, iat=  -1,1819, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1839,1840,
 &end
#
#  116 PHE  HE          117 VAL  HN          5.50    (#   1335:10  Unique         4.22, 5.28 A)
 &rst
  ixpk= 1335, nxpk= 10, iat=  -1,1819, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1809,1813,
 &end
#
#   13 LEU  MDY         118 ASN  HN          5.50    (#   1336:10  Unique         4.11, 5.91 A)
 &rst
  ixpk= 1336, nxpk= 10, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1= 195, 196, 197, 199, 200, 201,
 &end
#
#  117 VAL  MGY         118 ASN  HN          4.50    (#   1337:10  Unique         1.90, 3.84 A)
 &rst
  ixpk= 1337, nxpk= 10, iat=  -1,1835, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1825,1826,1827,1829,1830,1831,
 &end
#
#  117 VAL  HB          118 ASN  HN          5.50    (#   1338:10  Unique         3.59, 3.78 A)
 &rst
  ixpk= 1338, nxpk= 10, iat=1823,1835, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  121 ARG  HN          118 ASN  HN          5.50    (#   1339:10  Unique         4.65, 4.84 A)
 &rst
  ixpk= 1339, nxpk= 10, iat=1883,1835, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1340   120 LEU  HN          5.50    (#   1340:10  Single Ambig)
 &rst
  ixpk= 1340, nxpk= 10, iat=  -1,1864, r1= 0.00, r2= 1.80, r3= 8.90, r4= 9.65,
 igr1=1540,1541,1542,1544,1545,1546,1344,1345,1346,1348,
      1349,1350, 195, 196, 197, 199, 200, 201,
 &end
#
#  118 ASN  HA          120 LEU  HN          5.50    (#   1341:10  Unique         3.59, 3.73 A)
 &rst
  ixpk= 1341, nxpk= 10, iat=1837,1864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  117 VAL  HN          120 LEU  HN          5.50    (#   1342:10  Unique         5.04, 5.22 A)
 &rst
  ixpk= 1342, nxpk= 10, iat=1819,1864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  121 ARG  HG+         121 ARG  HN          5.50    (#   1343:10  Unique         1.97, 3.79 A)
 &rst
  ixpk= 1343, nxpk= 10, iat=  -1,1883, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1890,1891,
 &end
#
#  120 LEU  MDX         121 ARG  HN          5.50    (#   1344:10  Unique         4.26, 5.28 A)
 &rst
  ixpk= 1344, nxpk= 10, iat=  -1,1883, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1873,1874,1875,1877,1878,1879,
 &end
#
#    0 AMB  10-2:1345   121 ARG  HN          5.50    (#   1345:10  Single Ambig)
 &rst
  ixpk= 1345, nxpk= 10, iat=  -1,1883, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1422,1423, 442, 443,
 &end
#
#    0 AMB  10-2:1346   121 ARG  HN          5.50    (#   1346:10  Single Ambig)
 &rst
  ixpk= 1346, nxpk= 10, iat=  -1,1883, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1856,1857,1853,1854,1471,1472,
 &end
#
#  121 ARG  HD-         121 ARG  HN          5.50    (#   1347:10  Unique         2.14, 4.77 A)
 &rst
  ixpk= 1347, nxpk= 10, iat=  -1,1883, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1893,1894,
 &end
#
#  119 GLU  HN          121 ARG  HN          5.50    (#   1348:10  Unique         4.10, 4.30 A)
 &rst
  ixpk= 1348, nxpk= 10, iat=1849,1883, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  121 ARG  HG+         122 TYR  HN          5.50    (#   1351:10  Unique         1.93, 3.95 A)
 &rst
  ixpk= 1351, nxpk= 10, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1890,1891,
 &end
#
#    0 AMB  10-2:1352   122 TYR  HN          5.50    (#   1352:10  Single Ambig)
 &rst
  ixpk= 1352, nxpk= 10, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1871, 193,
 &end
#
#  123 GLY  HA+         122 TYR  HN          5.50    (#   1353:10  Unique         4.06, 4.60 A)
 &rst
  ixpk= 1353, nxpk= 10, iat=  -1,1907, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1930,1931,
 &end
#
#  124 VAL  MGY         123 GLY  HN          5.50    (#   1354:10  Unique         3.17, 6.03 A)
 &rst
  ixpk= 1354, nxpk= 10, iat=  -1,1928, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1941,1942,1943,1945,1946,1947,
 &end
#
#  121 ARG  HB-         123 GLY  HN          5.50    (#   1355:10  Unique         4.46, 5.53 A)
 &rst
  ixpk= 1355, nxpk= 10, iat=  -1,1928, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1887,1888,
 &end
#
#  118 ASN  HA          123 GLY  HN          5.50    (#   1356:10  Unique         4.43, 5.01 A)
 &rst
  ixpk= 1356, nxpk= 10, iat=1837,1928, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  124 VAL  MGX         124 VAL  HN          4.50    (#   1357:10  Unique         2.08, 4.20 A)
 &rst
  ixpk= 1357, nxpk= 10, iat=  -1,1935, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1941,1942,1943,1945,1946,1947,
 &end
#
#  122 TYR  HA          124 VAL  HN          5.50    (#   1358:10  Unique         4.90, 5.18 A)
 &rst
  ixpk= 1358, nxpk= 10, iat=1909,1935, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  124 VAL  MGY         125 ALA  HN          3.50    (#   1359:10  Unique         2.28, 4.33 A)
 &rst
  ixpk= 1359, nxpk= 10, iat=  -1,1951, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1941,1942,1943,1945,1946,1947,
 &end
#
#  119 GLU  HA          125 ALA  HN          5.50    (#   1360:10  Unique         1.95, 3.20 A)
 &rst
  ixpk= 1360, nxpk= 10, iat=1851,1951, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  116 PHE  HA          125 ALA  HN          5.50    (#   1361:10  Unique         5.40, 5.52 A)
 &rst
  ixpk= 1361, nxpk= 10, iat=1801,1951, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   17 PHE  HB-          17 PHE  HN          3.50    (#   1363:10  Unique         2.12, 2.95 A)
 &rst
  ixpk= 1363, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 262, 263,
 &end
#
#    0 AMB  10-2:1364    17 PHE  HN          5.50    (#   1364:10  Single Ambig)
 &rst
  ixpk= 1364, nxpk= 10, iat=  -1, 258, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 243, 285, 286,
 &end
#
#   12 ASP  HB-          27 TYR  HN          5.50    (#   1365:10  Unique         4.24, 4.85 A)
 &rst
  ixpk= 1365, nxpk= 10, iat=  -1, 451, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 178, 179,
 &end
#
#    0 AMB  10-2:1366    60 VAL  HN          5.50    (#   1366:10  Single Ambig)
 &rst
  ixpk= 1366, nxpk= 10, iat=  -1, 898, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 586, 871,
 &end
#
#  103 GLU  HA           60 VAL  HN          3.50    (#   1367:10  Unique         3.13, 3.55 A)
 &rst
  ixpk= 1367, nxpk= 10, iat=1592, 898, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   18 ARG  HG+          18 ARG  HN          3.50    (#   1368:10  Unique         2.34, 3.86 A)
 &rst
  ixpk= 1368, nxpk= 10, iat=  -1, 278, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 285, 286,
 &end
#
#   27 TYR  HN           14 ILE  HN          5.50    (#   1369:10  Unique         2.87, 3.83 A)
 &rst
  ixpk= 1369, nxpk= 10, iat= 451, 205, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1370    91 LYS  HN          5.50    (#   1370:10  Single Ambig)
 &rst
  ixpk= 1370, nxpk= 10, iat=  -1,1390, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1450,1462,1463,
 &end
#
#   87 LEU  HB-          92 ILE  HN          5.50    (#   1373:10  Unique         3.08, 3.93 A)
 &rst
  ixpk= 1373, nxpk= 10, iat=  -1,1412, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1339,1340,
 &end
#
#   93 ILE  QD1          92 ILE  HN          5.50    (#   1374:10  Unique         4.39, 6.18 A)
 &rst
  ixpk= 1374, nxpk= 10, iat=  -1,1412, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1444,1445,1446,
 &end
#
#   82 ASP  HA           84 TYR  HN          5.50    (#   1376:10  Unique         3.86, 4.41 A)
 &rst
  ixpk= 1376, nxpk= 10, iat=1257,1289, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   98 GLU  HB-         100 VAL  HN          5.50    (#   1377:10  Unique         4.98, 5.49 A)
 &rst
  ixpk= 1377, nxpk= 10, iat=  -1,1550, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1520,1521,
 &end
#
#    0 AMB  10-2:1378    59 ILE  HN          5.50    (#   1378:10  Single Ambig)
 &rst
  ixpk= 1378, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1594,1595, 620, 621,
 &end
#
#   59 ILE  HG1-         59 ILE  HN          4.50    (#   1379:10  Unique         2.55, 3.16 A)
 &rst
  ixpk= 1379, nxpk= 10, iat=  -1, 879, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 889, 890,
 &end
#
#   36 LEU  HG           59 ILE  HN          5.50    (#   1380:10  Unique         5.52, 5.59 A)
 &rst
  ixpk= 1380, nxpk= 10, iat= 591, 879, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  123 GLY  HN          120 LEU  HN          5.50    (#   1381:10  Unique         3.91, 4.34 A)
 &rst
  ixpk= 1381, nxpk= 10, iat=1928,1864, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    3 ALA  MB            2 ARG  HN          5.50    (#   1383:10  Unique         3.75, 5.59 A)
 &rst
  ixpk= 1383, nxpk= 10, iat=  -1,  21, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=  49,  50,  51,
 &end
#
#    2 ARG  HA            2 ARG  HN          5.50    (#   1384:10  Unique         2.27, 2.77 A)
 &rst
  ixpk= 1384, nxpk= 10, iat=  23,  21, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   24 TRP  HZ2          77 ASN  HD2+        5.50    (#   1386:10  Unique         2.98, 4.40 A)
 &rst
  ixpk= 1386, nxpk= 10, iat= 411,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1185,1186,
 &end
#
#   75 GLN  HE2-         77 ASN  HD2+        5.50    (#   1387:10  Unique         2.73, 6.27 A)
 &rst
  ixpk= 1387, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1155,1156,
 igr2=1185,1186,
 &end
#
#    0 AMB  10-2:1399   125 ALA  HN          2.80    (#   1399:10  Single Ambig)
 &rst
  ixpk= 1399, nxpk= 10, iat=  -1,1951, r1= 0.00, r2= 1.80, r3= 3.14, r4= 3.89,
 igr1=1937,1953,
 &end
#
#   77 ASN  HB-          75 GLN  HE2-        5.50    (#   1400:10  Unique         1.95, 4.76 A)
 &rst
  ixpk= 1400, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1180,1181,
 igr2=1155,1156,
 &end
#
#   77 ASN  HB-          75 GLN  HE2+        5.50    (#   1401:10  Unique         1.95, 4.76 A)
 &rst
  ixpk= 1401, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1180,1181,
 igr2=1155,1156,
 &end
#
#   78 ASN  HN           78 ASN  HD2+        5.50    (#   1402:10  Unique         1.90, 3.39 A)
 &rst
  ixpk= 1402, nxpk= 10, iat=1190,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1199,1200,
 &end
#
#   78 ASN  HN           78 ASN  HD2-        5.50    (#   1403:10  Unique         1.90, 3.39 A)
 &rst
  ixpk= 1403, nxpk= 10, iat=1190,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1199,1200,
 &end
#
#   13 LEU  HN           78 ASN  HD2-        5.50    (#   1404:10  Unique         1.90, 3.01 A)
 &rst
  ixpk= 1404, nxpk= 10, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1199,1200,
 &end
#
#   13 LEU  HN           78 ASN  HD2+        5.50    (#   1405:10  Unique         1.90, 3.01 A)
 &rst
  ixpk= 1405, nxpk= 10, iat= 186,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1199,1200,
 &end
#
#  102 GLN  HB+         102 GLN  HE2-        5.50    (#   1406:10  Unique         2.18, 4.12 A)
 &rst
  ixpk= 1406, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1577,1578,
 igr2=1585,1586,
 &end
#
#   15 GLU  HB-          75 GLN  HE2+        5.50    (#   1407:10  Unique         1.94, 4.38 A)
 &rst
  ixpk= 1407, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 228, 229,
 igr2=1155,1156,
 &end
#
#   90 SER  HN           91 LYS  HN          5.50    (#   1408:10  Unique         2.72, 2.86 A)
 &rst
  ixpk= 1408, nxpk= 10, iat=1379,1390, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1409    24 TRP  HE1         5.50    (#   1409:10  Single Ambig)
 &rst
  ixpk= 1409, nxpk= 10, iat=  -1, 408, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 402, 403,1760,1761,
 &end
#
#  114 GLU  HA           24 TRP  HE1         5.50    (#   1411:10  Unique         5.03, 5.45 A)
 &rst
  ixpk= 1411, nxpk= 10, iat=1769, 408, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   23 HIS  HN           24 TRP  HN          5.50    (#   1412:10  Unique         3.88, 4.24 A)
 &rst
  ixpk= 1412, nxpk= 10, iat= 381, 398, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   15 GLU  HG+          16 ILE  HN          3.50    (#   1413:10  Unique         2.42, 3.59 A)
 &rst
  ixpk= 1413, nxpk= 10, iat=  -1, 239, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1= 231, 232,
 &end
#
#   23 HIS  HB-          24 TRP  HN          5.50    (#   1415:10  Unique         3.21, 4.13 A)
 &rst
  ixpk= 1415, nxpk= 10, iat=  -1, 398, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 385, 386,
 &end
#
#    0 AMB  10-2:1416    92 ILE  HN          3.50    (#   1416:10  Single Ambig)
 &rst
  ixpk= 1416, nxpk= 10, iat=  -1,1412, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1339,1340,1397,1398,
 &end
#
#   81 ASP  HN           83 LYS  HN          4.50    (#   1417:10  Unique         4.09, 4.32 A)
 &rst
  ixpk= 1417, nxpk= 10, iat=1243,1267, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#    0 AMB  10-2:1418     0 AMB  10-1:1418   3.50    (#   1418:10  Double Ambig)
 &rst
  ixpk= 1418, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1= 857, 858,1441,1442,
 igr2= 847,1450,
 &end
#
#   66 TYR  HB+          67 ASP  HN          3.50    (#   1419:10  Unique         2.34, 3.36 A)
 &rst
  ixpk= 1419, nxpk= 10, iat=  -1,1032, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1015,1016,
 &end
#
#  107 LYS  HG-         107 LYS  HN          3.50    (#   1420:10  Unique         2.24, 3.82 A)
 &rst
  ixpk= 1420, nxpk= 10, iat=  -1,1661, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1668,1669,
 &end
#
#   18 ARG  HG+          21 TYR  HN          5.50    (#   1421:10  Unique         3.67, 5.18 A)
 &rst
  ixpk= 1421, nxpk= 10, iat=  -1, 336, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1= 285, 286,
 &end
#
#  102 GLN  HB+         101 GLY  HN          5.50    (#   1422:10  Unique         4.38, 5.42 A)
 &rst
  ixpk= 1422, nxpk= 10, iat=  -1,1566, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1577,1578,
 &end
#
#   73 LYS  HB-          74 TYR  HN          4.50    (#   1423:10  Unique         2.94, 4.11 A)
 &rst
  ixpk= 1423, nxpk= 10, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1104,1105,
 &end
#
#   14 ILE  HA           75 GLN  HN          5.50    (#   1424:10  Unique         4.37, 4.69 A)
 &rst
  ixpk= 1424, nxpk= 10, iat= 207,1143, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1425    11 GLY  HN          3.50    (#   1425:10  Single Ambig)
 &rst
  ixpk= 1425, nxpk= 10, iat=  -1, 167, r1= 0.00, r2= 1.80, r3= 4.58, r4= 5.33,
 igr1=1418,1419,1420, 442, 443,
 &end
#
#   99 LEU  HG          102 GLN  HE2+        5.50    (#   1426:10  Unique         4.09, 5.18 A)
 &rst
  ixpk= 1426, nxpk= 10, iat=1538,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1585,1586,
 &end
#
#  112 ASN  HA          112 ASN  HD2+        5.50    (#   1427:10  Unique         3.89, 4.31 A)
 &rst
  ixpk= 1427, nxpk= 10, iat=1744,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1751,1752,
 &end
#
#  106 TYR  HB-         112 ASN  HD2-        4.50    (#   1428:10  Unique         1.93, 3.50 A)
 &rst
  ixpk= 1428, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1644,1645,
 igr2=1751,1752,
 &end
#
#   94 GLN  HB+          94 GLN  HE2+        5.50    (#   1429:10  Unique         2.06, 3.67 A)
 &rst
  ixpk= 1429, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1454,1455,
 igr2=1462,1463,
 &end
#
#   80 HIS  HB-          81 ASP  HN          4.50    (#   1430:10  Unique         4.16, 4.37 A)
 &rst
  ixpk= 1430, nxpk= 10, iat=  -1,1243, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1230,1231,
 &end
#
#   70 GLY  HN           72 ASP  HN          5.50    (#   1431:10  Unique         3.63, 4.68 A)
 &rst
  ixpk= 1431, nxpk= 10, iat=1070,1088, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   91 LYS  HA           93 ILE  HN          5.50    (#   1432:10  Unique         4.41, 4.71 A)
 &rst
  ixpk= 1432, nxpk= 10, iat=1392,1431, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   92 ILE  HA           94 GLN  HN          5.50    (#   1433:10  Unique         4.35, 4.71 A)
 &rst
  ixpk= 1433, nxpk= 10, iat=1414,1450, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   96 ALA  HA           98 GLU  HN          5.50    (#   1435:10  Unique         3.78, 3.89 A)
 &rst
  ixpk= 1435, nxpk= 10, iat=1493,1516, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  102 GLN  HN          100 VAL  HN          5.50    (#   1437:10  Unique         4.78, 5.10 A)
 &rst
  ixpk= 1437, nxpk= 10, iat=1573,1550, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  113 CYS  HN          111 GLU  HN          5.50    (#   1438:10  Unique         4.13, 4.35 A)
 &rst
  ixpk= 1438, nxpk= 10, iat=1756,1727, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#    0 AMB  10-2:1439     0 AMB  10-1:1439   5.50    (#   1439:10  Double Ambig)
 &rst
  ixpk= 1439, nxpk= 10, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.41, r4= 8.16,
 igr1=1727,1077, 992,
 igr2=1756,1060,
 &end
#
#  117 VAL  HN          119 GLU  HN          5.50    (#   1440:10  Unique         4.14, 4.29 A)
 &rst
  ixpk= 1440, nxpk= 10, iat=1819,1849, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   69 ALA  MB           70 GLY  HN          4.50    (#   1441:10  Unique         2.06, 3.11 A)
 &rst
  ixpk= 1441, nxpk= 10, iat=  -1,1070, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1=1064,1065,1066,
 &end
#
#   70 GLY  HA+          70 GLY  HN          3.50    (#   1442:10  Unique         2.29, 2.66 A)
 &rst
  ixpk= 1442, nxpk= 10, iat=  -1,1070, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1072,1073,
 &end
#
#   70 GLY  HA-          70 GLY  HN          3.50    (#   1443:10  Unique         2.29, 2.66 A)
 &rst
  ixpk= 1443, nxpk= 10, iat=  -1,1070, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1072,1073,
 &end
#
#   69 ALA  HN           70 GLY  HN          4.50    (#   1445:10  Unique         2.27, 2.95 A)
 &rst
  ixpk= 1445, nxpk= 10, iat=1060,1070, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   71 SER  HN           70 GLY  HN          5.50    (#   1446:10  Unique         1.88, 3.65 A)
 &rst
  ixpk= 1446, nxpk= 10, iat=1077,1070, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   74 TYR  HE           74 TYR  HN          5.50    (#   1448:10  Unique         3.87, 4.73 A)
 &rst
  ixpk= 1448, nxpk= 10, iat=  -1,1122, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1132,1137,
 &end
#
#    0 AMB  10-2:1449    87 LEU  HN          3.50    (#   1449:10  Single Ambig)
 &rst
  ixpk= 1449, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 4.20, r4= 4.95,
 igr1=1314,1315,1885,
 &end
#
#    0 AMB  10-2:1451    91 LYS  HN          5.50    (#   1451:10  Single Ambig)
 &rst
  ixpk= 1451, nxpk= 10, iat=  -1,1390, r1= 0.00, r2= 1.80, r3= 7.93, r4= 8.68,
 igr1=1344,1345,1346,1348,1349,1350,1418,1419,1420,
 &end
#
#   92 ILE  QD1          91 LYS  HN          5.50    (#   1452:10  Unique         3.95, 5.82 A)
 &rst
  ixpk= 1452, nxpk= 10, iat=  -1,1390, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1=1425,1426,1427,
 &end
#
#   99 LEU  MDY          99 LEU  HN          3.50    (#   1453:10  Unique         3.06, 4.51 A)
 &rst
  ixpk= 1453, nxpk= 10, iat=  -1,1531, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1540,1541,1542,1544,1545,1546,
 &end
#
#    0 AMB  10-2:1454    79 LYS  HN          4.50    (#   1454:10  Single Ambig)
 &rst
  ixpk= 1454, nxpk= 10, iat=  -1,1204, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1247,1248,1217,1218,
 &end
#
#   98 GLU  HG-          98 GLU  HN          3.50    (#   1455:10  Unique         3.43, 4.10 A)
 &rst
  ixpk= 1455, nxpk= 10, iat=  -1,1516, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1523,1524,
 &end
#
#   76 VAL  MGY           9 LYS  HN          4.50    (#   1456:10  Unique         2.84, 4.82 A)
 &rst
  ixpk= 1456, nxpk= 10, iat=  -1, 131, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1166,1167,1168,1170,1171,1172,
 &end
#
#   73 LYS  HB+          73 LYS  HN          3.50    (#   1457:10  Unique         2.18, 3.22 A)
 &rst
  ixpk= 1457, nxpk= 10, iat=  -1,1100, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1104,1105,
 &end
#
#   86 PRO  HB-          87 LEU  HN          3.50    (#   1458:10  Unique         3.71, 4.11 A)
 &rst
  ixpk= 1458, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr1=1328,1329,
 &end
#
#   86 PRO  HG+          87 LEU  HN          5.50    (#   1459:10  Unique         2.90, 3.73 A)
 &rst
  ixpk= 1459, nxpk= 10, iat=  -1,1335, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1325,1326,
 &end
#
#   84 TYR  HN           81 ASP  HN          5.50    (#   1460:10  Unique         4.57, 5.00 A)
 &rst
  ixpk= 1460, nxpk= 10, iat=1289,1243, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#  108 LEU  MDX          23 HIS  HE1         4.50    (#      0:60  Unique         2.57, 5.05 A)
 &rst
  ixpk= 0, nxpk= 60, iat=  -1, 391, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,

      rk2=20.0, rk3=20.0, ir6=1, ialtd=1,
 igr1=1692,1693,1694,1696,1697,1698,
 &end
#
#    0 AMB  60-2:1       80 HIS  HE1         5.50    (#      1:60  Single Ambig)
 &rst
  ixpk= 1, nxpk= 60, iat=  -1,1236, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1214,1215,1208,1209,
 &end
#
#   79 LYS  HE+          80 HIS  HE1         5.50    (#      3:60  Unique         3.49, 5.93 A)
 &rst
  ixpk= 3, nxpk= 60, iat=  -1,1236, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1217,1218,
 &end
#
#   37 ALA  MB           35 HIS  HE1         4.50    (#      5:60  Unique         3.03, 4.37 A)
 &rst
  ixpk= 5, nxpk= 60, iat=  -1, 577, r1= 0.00, r2= 1.80, r3= 5.40, r4= 6.15,
 igr1= 607, 608, 609,
 &end
#
#    0 AMB  60-2:6       35 HIS  HE1         3.50    (#      6:60  Single Ambig)
 &rst
  ixpk= 6, nxpk= 60, iat=  -1, 577, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1050,1051,1052,1054,1055,1056,1050,1051,1052,1054,
      1055,1056,
 &end
#
#   21 TYR  HB-          21 TYR  HD          3.50    (#      7:60  Unique         2.30, 3.06 A)
 &rst
  ixpk= 7, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 340, 341,
 igr2= 344, 353,
 &end
#
#   18 ARG  HN           21 TYR  HD          4.50    (#      8:60  Unique         4.41, 6.30 A)
 &rst
  ixpk= 8, nxpk= 60, iat= 278,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 344, 353,
 &end
#
#   21 TYR  HB+          21 TYR  HD          3.50    (#     10:60  Unique         2.30, 3.06 A)
 &rst
  ixpk= 10, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 340, 341,
 igr2= 344, 353,
 &end
#
#   22 ARG  HN           21 TYR  HD          4.50    (#     11:60  Unique         1.78, 3.41 A)
 &rst
  ixpk= 11, nxpk= 60, iat= 357,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 344, 353,
 &end
#
#   32 TYR  HA           32 TYR  HD          4.50    (#     12:60  Unique         1.78, 3.27 A)
 &rst
  ixpk= 12, nxpk= 60, iat= 516,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 522, 531,
 &end
#
#   30 ASP  HB+          32 TYR  HD          5.50    (#     13:60  Unique         2.93, 5.61 A)
 &rst
  ixpk= 13, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 499, 500,
 igr2= 522, 531,
 &end
#
#   32 TYR  HN           32 TYR  HD          4.50    (#     14:60  Unique         3.32, 3.66 A)
 &rst
  ixpk= 14, nxpk= 60, iat= 514,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 522, 531,
 &end
#
#   63 GLU  HA           32 TYR  HD          4.50    (#     15:60  Unique         2.30, 4.21 A)
 &rst
  ixpk= 15, nxpk= 60, iat= 960,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 522, 531,
 &end
#
#   32 TYR  HB-          32 TYR  HD          3.50    (#     16:60  Unique         2.30, 3.07 A)
 &rst
  ixpk= 16, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 518, 519,
 igr2= 522, 531,
 &end
#
#   32 TYR  HB+          32 TYR  HD          3.50    (#     17:60  Unique         2.30, 3.07 A)
 &rst
  ixpk= 17, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1= 518, 519,
 igr2= 522, 531,
 &end
#
#   33 VAL  HN           32 TYR  HD          4.50    (#     18:60  Unique         3.02, 4.68 A)
 &rst
  ixpk= 18, nxpk= 60, iat= 535,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 522, 531,
 &end
#
#  104 VAL  MGY         106 TYR  HD          4.50    (#     20:60  Unique         2.04, 4.90 A)
 &rst
  ixpk= 20, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1611,1612,1613,1615,1616,1617,
 igr2=1648,1657,
 &end
#
#  107 LYS  HN          106 TYR  HD          5.50    (#     21:60  Unique         2.81, 4.81 A)
 &rst
  ixpk= 21, nxpk= 60, iat=1661,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1648,1657,
 &end
#
#    0 AMB  60-2:22      74 TYR  HD          3.50    (#     22:60  Single Ambig)
 &rst
  ixpk= 22, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.95, r4= 5.70,
 igr1=1126,1127,1092,1093,
 igr2=1130,1139,
 &end
#
#   69 ALA  MB           74 TYR  HD          3.50    (#     23:60  Unique         2.45, 4.04 A)
 &rst
  ixpk= 23, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1=1064,1065,1066,
 igr2=1130,1139,
 &end
#
#   14 ILE  QG2          74 TYR  HD          3.50    (#     24:60  Unique         3.00, 5.15 A)
 &rst
  ixpk= 24, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.72, r4= 5.47,
 igr1= 211, 212, 213,
 igr2=1130,1139,
 &end
#
#   12 ASP  HN           27 TYR  HD          5.50    (#     25:60  Unique         3.77, 4.75 A)
 &rst
  ixpk= 25, nxpk= 60, iat= 174,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 459, 468,
 &end
#
#   27 TYR  HB-          27 TYR  HD          4.50    (#     26:60  Unique         2.30, 3.05 A)
 &rst
  ixpk= 26, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 455, 456,
 igr2= 459, 468,
 &end
#
#   27 TYR  HB+          27 TYR  HD          4.50    (#     27:60  Unique         2.30, 3.05 A)
 &rst
  ixpk= 27, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 455, 456,
 igr2= 459, 468,
 &end
#
#    0 AMB  60-2:28      27 TYR  HD          4.50    (#     28:60  Single Ambig)
 &rst
  ixpk= 28, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 218, 219, 220, 124, 125,
 igr2= 459, 468,
 &end
#
#   66 TYR  HN           66 TYR  HD          4.50    (#     29:60  Unique         1.81, 3.47 A)
 &rst
  ixpk= 29, nxpk= 60, iat=1011,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1019,1028,
 &end
#
#  112 ASN  HD2+        106 TYR  HD          5.50    (#     30:60  Unique         1.93, 4.39 A)
 &rst
  ixpk= 30, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1751,1752,
 igr2=1648,1657,
 &end
#
#  106 TYR  HA          106 TYR  HD          4.50    (#     31:60  Unique         1.94, 4.14 A)
 &rst
  ixpk= 31, nxpk= 60, iat=1642,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1648,1657,
 &end
#
#    0 AMB  60-2:32       0 AMB  60-1:32     3.50    (#     32:60  Double Ambig)
 &rst
  ixpk= 32, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.94, r4= 6.69,
 igr1=1293,1294,1644,1645,1839,1840,
 igr2=1915,1924,1648,1657,
 &end
#
#    0 AMB  60-2:33       0 AMB  60-1:33     3.50    (#     33:60  Double Ambig)
 &rst
  ixpk= 33, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.56, r4= 6.31,
 igr1=1911,1912,1644,1645,
 igr2=1915,1924,1648,1657,
 &end
#
#   36 LEU  HG          106 TYR  HD          4.50    (#     34:60  Unique         2.47, 5.47 A)
 &rst
  ixpk= 34, nxpk= 60, iat= 591,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1648,1657,
 &end
#
#    0 AMB  60-2:35      32 TYR  HD          5.50    (#     35:60  Single Ambig)
 &rst
  ixpk= 35, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1= 992, 958,
 igr2= 522, 531,
 &end
#
#   33 VAL  MGX          27 TYR  HD          3.50    (#     36:60  Unique         2.42, 5.61 A)
 &rst
  ixpk= 36, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1= 541, 542, 543, 545, 546, 547,
 igr2= 459, 468,
 &end
#
#   27 TYR  HA           27 TYR  HD          3.50    (#     37:60  Unique         3.06, 3.46 A)
 &rst
  ixpk= 37, nxpk= 60, iat= 453,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2= 459, 468,
 &end
#
#   10 PRO  HA           27 TYR  HD          4.50    (#     38:60  Unique         2.00, 4.43 A)
 &rst
  ixpk= 38, nxpk= 60, iat= 163,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 459, 468,
 &end
#
#   11 GLY  HN           27 TYR  HD          5.50    (#     39:60  Unique         2.87, 5.02 A)
 &rst
  ixpk= 39, nxpk= 60, iat= 167,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 459, 468,
 &end
#
#    0 AMB  60-2:40      84 TYR  HD          5.50    (#     40:60  Single Ambig)
 &rst
  ixpk= 40, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1310,1255,
 igr2=1297,1306,
 &end
#
#   80 HIS  HB+          84 TYR  HD          4.50    (#     41:60  Unique         1.99, 4.68 A)
 &rst
  ixpk= 41, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1230,1231,
 igr2=1297,1306,
 &end
#
#   66 TYR  HE           66 TYR  HD          2.80    (#     42:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 42, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1021,1026,
 igr2=1019,1028,
 &end
#
#   66 TYR  HA           66 TYR  HD          3.50    (#     43:60  Unique         2.20, 3.67 A)
 &rst
  ixpk= 43, nxpk= 60, iat=1013,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1019,1028,
 &end
#
#   66 TYR  HB-          66 TYR  HD          3.50    (#     44:60  Unique         2.30, 3.05 A)
 &rst
  ixpk= 44, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1015,1016,
 igr2=1019,1028,
 &end
#
#   66 TYR  HB+          66 TYR  HD          3.50    (#     45:60  Unique         2.30, 3.05 A)
 &rst
  ixpk= 45, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1015,1016,
 igr2=1019,1028,
 &end
#
#   84 TYR  HN           84 TYR  HD          5.50    (#     46:60  Unique         1.87, 3.88 A)
 &rst
  ixpk= 46, nxpk= 60, iat=1289,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1297,1306,
 &end
#
#   84 TYR  HA           84 TYR  HD          3.50    (#     47:60  Unique         1.86, 3.72 A)
 &rst
  ixpk= 47, nxpk= 60, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1297,1306,
 &end
#
#   84 TYR  HB-          84 TYR  HD          3.50    (#     48:60  Unique         2.31, 3.07 A)
 &rst
  ixpk= 48, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1293,1294,
 igr2=1297,1306,
 &end
#
#   84 TYR  HB+          84 TYR  HD          3.50    (#     49:60  Unique         2.31, 3.07 A)
 &rst
  ixpk= 49, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1293,1294,
 igr2=1297,1306,
 &end
#
#  107 LYS  HB+         106 TYR  HD          4.50    (#     50:60  Unique         4.87, 6.82 A)
 &rst
  ixpk= 50, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1665,1666,
 igr2=1648,1657,
 &end
#
#   33 VAL  HA           27 TYR  HD          5.50    (#     51:60  Unique         4.99, 5.66 A)
 &rst
  ixpk= 51, nxpk= 60, iat= 537,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 459, 468,
 &end
#
#   83 LYS  HB+          84 TYR  HD          5.50    (#     52:60  Unique         2.00, 5.22 A)
 &rst
  ixpk= 52, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1271,1272,
 igr2=1297,1306,
 &end
#
#    0 AMB  60-2:53     116 PHE  HD          5.50    (#     53:60  Single Ambig)
 &rst
  ixpk= 53, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1849,1767,
 igr2=1807,1815,
 &end
#
#    0 AMB  60-2:54       0 AMB  60-1:54     2.80    (#     54:60  Double Ambig)
 &rst
  ixpk= 54, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.44, r4= 5.19,
 igr1=1809,1813, 344, 353,
 igr2=1807,1815, 324, 332,
 &end
#
#  116 PHE  HB-         116 PHE  HD          3.50    (#     55:60  Unique         2.28, 3.04 A)
 &rst
  ixpk= 55, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1807,1815,
 &end
#
#  116 PHE  HA          116 PHE  HD          4.50    (#     56:60  Unique         2.31, 3.66 A)
 &rst
  ixpk= 56, nxpk= 60, iat=1801,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1807,1815,
 &end
#
#  116 PHE  HB+         116 PHE  HD          3.50    (#     57:60  Unique         2.28, 3.04 A)
 &rst
  ixpk= 57, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1803,1804,
 igr2=1807,1815,
 &end
#
#  117 VAL  MGY         116 PHE  HD          3.50    (#     58:60  Unique         2.01, 5.68 A)
 &rst
  ixpk= 58, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.30, r4= 6.05,
 igr1=1825,1826,1827,1829,1830,1831,
 igr2=1807,1815,
 &end
#
#    0 AMB  60-2:59     116 PHE  HD          5.50    (#     59:60  Single Ambig)
 &rst
  ixpk= 59, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 8.54, r4= 9.29,
 igr1= 591,1611,1612,1613,1615,1616,1617,
 igr2=1807,1815,
 &end
#
#   20 PHE  HB-          20 PHE  HD          4.50    (#     60:60  Unique         2.28, 3.04 A)
 &rst
  ixpk= 60, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 320, 321,
 igr2= 324, 332,
 &end
#
#   17 PHE  HN           17 PHE  HD          4.50    (#     62:60  Unique         2.48, 3.97 A)
 &rst
  ixpk= 62, nxpk= 60, iat= 258,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 266, 274,
 &end
#
#   17 PHE  HA           17 PHE  HD          4.50    (#     64:60  Unique         2.13, 3.39 A)
 &rst
  ixpk= 64, nxpk= 60, iat= 260,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 266, 274,
 &end
#
#   17 PHE  HB-          17 PHE  HD          4.50    (#     65:60  Unique         2.28, 3.04 A)
 &rst
  ixpk= 65, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 262, 263,
 igr2= 266, 274,
 &end
#
#   74 TYR  HA           17 PHE  HD          4.50    (#     66:60  Unique         2.56, 5.01 A)
 &rst
  ixpk= 66, nxpk= 60, iat=1124,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2= 266, 274,
 &end
#
#  116 PHE  HD          116 PHE  HE          3.50    (#     68:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 68, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 4.41, r4= 5.16,
 igr1=1807,1815,
 igr2=1809,1813,
 &end
#
#    0 AMB  60-2:71       0 AMB  60-1:71     3.50    (#     71:60  Double Ambig)
 &rst
  ixpk= 71, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.24, r4= 6.99,
 igr1=1540,1541,1542,1544,1545,1546, 231, 232,
 igr2=1809,1813, 268, 272,
 &end
#
#    0 AMB  60-2:72     116 PHE  HE          4.50    (#     72:60  Single Ambig)
 &rst
  ixpk= 72, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.61, r4= 7.36,
 igr1= 445, 446, 447, 442, 443,
 igr2=1809,1813,
 &end
#
#   24 TRP  HE1          24 TRP  HD1         4.50    (#     74:60  Unique         2.57, 2.57 A)
 &rst
  ixpk= 74, nxpk= 60, iat= 408, 406, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#  113 CYS  HB+          24 TRP  HD1         5.50    (#     76:60  Unique         3.25, 4.24 A)
 &rst
  ixpk= 76, nxpk= 60, iat=  -1, 406, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1760,1761,
 &end
#
#   13 LEU  HG           24 TRP  HZ3         5.50    (#     85:60  Unique         3.33, 4.25 A)
 &rst
  ixpk= 85, nxpk= 60, iat= 193, 415, r1= 0.00, r2= 1.80, r3= 5.50, r4= 6.25,  &end
#
#   66 TYR  HD           66 TYR  HE          2.80    (#     94:60  Unique         2.46, 3.69 A)
 &rst
  ixpk= 94, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 3.53, r4= 4.28,
 igr1=1019,1028,
 igr2=1021,1026,
 &end
#
#  112 ASN  HB+         106 TYR  HE          4.50    (#     98:60  Unique         2.24, 5.31 A)
 &rst
  ixpk= 98, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1746,1747,
 igr2=1650,1655,
 &end
#
#   64 LEU  MDY          66 TYR  HE          4.50    (#    100:60  Unique         1.96, 5.50 A)
 &rst
  ixpk= 100, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 982, 983, 984, 986, 987, 988,
 igr2=1021,1026,
 &end
#
#   64 LEU  HG           66 TYR  HE          4.50    (#    102:60  Unique         2.81, 6.25 A)
 &rst
  ixpk= 102, nxpk= 60, iat= 980,  -1, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr2=1021,1026,
 &end
#
#   64 LEU  MDX          66 TYR  HE          4.50    (#    103:60  Unique         1.96, 5.50 A)
 &rst
  ixpk= 103, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1= 982, 983, 984, 986, 987, 988,
 igr2=1021,1026,
 &end
#
#   23 HIS  HA           21 TYR  HE          5.50    (#    105:60  Unique         5.02, 7.73 A)
 &rst
  ixpk= 105, nxpk= 60, iat= 383,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2= 346, 351,
 &end
#
#   36 LEU  HG          106 TYR  HE          3.50    (#    106:60  Unique         1.96, 4.00 A)
 &rst
  ixpk= 106, nxpk= 60, iat= 591,  -1, r1= 0.00, r2= 1.80, r3= 3.93, r4= 4.68,
 igr2=1650,1655,
 &end
#
#  104 VAL  MGY         106 TYR  HE          4.50    (#    107:60  Unique         2.34, 4.16 A)
 &rst
  ixpk= 107, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.81, r4= 7.56,
 igr1=1611,1612,1613,1615,1616,1617,
 igr2=1650,1655,
 &end
#
#   84 TYR  HB-         122 TYR  HE          4.50    (#    109:60  Unique         2.08, 6.06 A)
 &rst
  ixpk= 109, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1=1293,1294,
 igr2=1917,1922,
 &end
#
#   64 LEU  HB-          32 TYR  HE          4.50    (#    110:60  Unique         3.41, 6.35 A)
 &rst
  ixpk= 110, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 5.67, r4= 6.42,
 igr1= 977, 978,
 igr2= 524, 529,
 &end
#
#    0 AMB  60-2:112     74 TYR  HE          5.50    (#    112:60  Single Ambig)
 &rst
  ixpk= 112, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 7.78, r4= 8.53,
 igr1=1092,1093,1126,1127,
 igr2=1132,1137,
 &end
#
#   69 ALA  MB           74 TYR  HE          4.50    (#    114:60  Unique         2.44, 3.89 A)
 &rst
  ixpk= 114, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1=1064,1065,1066,
 igr2=1132,1137,
 &end
#
#   83 LYS  HB+          84 TYR  HE          5.50    (#    115:60  Unique         2.46, 5.70 A)
 &rst
  ixpk= 115, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1271,1272,
 igr2=1299,1304,
 &end
#
#   84 TYR  HA           84 TYR  HE          5.50    (#    116:60  Unique         4.14, 5.75 A)
 &rst
  ixpk= 116, nxpk= 60, iat=1291,  -1, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr2=1299,1304,
 &end
#
#   80 HIS  HB-          84 TYR  HE          5.50    (#    117:60  Unique         1.97, 4.81 A)
 &rst
  ixpk= 117, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1230,1231,
 igr2=1299,1304,
 &end
#
#   83 LYS  HD+          84 TYR  HE          5.50    (#    118:60  Unique         2.78, 5.45 A)
 &rst
  ixpk= 118, nxpk= 60, iat=  -1,  -1, r1= 0.00, r2= 1.80, r3= 6.93, r4= 7.68,
 igr1=1277,1278,
 igr2=1299,1304,
 &end
#
#  113 CYS  HB+          24 TRP  HE3         5.50    (#    122:60  Unique         5.43, 6.21 A)
 &rst
  ixpk= 122, nxpk= 60, iat=  -1, 417, r1= 0.00, r2= 1.80, r3= 6.17, r4= 6.92,
 igr1=1760,1761,
 &end
#
#   25 ALA  HN           24 TRP  HE3         3.50    (#    123:60  Unique         2.54, 2.59 A)
 &rst
  ixpk= 123, nxpk= 60, iat= 422, 417, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   74 TYR  HB+          74 TYR  HA          4.50    (#    124:60  Unique         2.32, 2.46 A)
 &rst
  ixpk= 124, nxpk= 60, iat=  -1,1124, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1126,1127,
 &end
#
#   24 TRP  HE1          24 TRP  HZ2         4.50    (#    127:60  Unique         2.82, 2.82 A)
 &rst
  ixpk= 127, nxpk= 60, iat= 408, 411, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
#
#   61 LYS  HB+          35 HIS  HD2         4.50    (#    128:60  Unique         3.09, 3.76 A)
 &rst
  ixpk= 128, nxpk= 60, iat=  -1, 580, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1= 918, 919,
 &end
#
#   24 TRP  HH2          24 TRP  HZ2         3.50    (#    129:60  Unique         2.46, 2.46 A)
 &rst
  ixpk= 129, nxpk= 60, iat= 413, 411, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   35 HIS  HN           35 HIS  HD2         3.50    (#    130:60  Unique         1.95, 2.08 A)
 &rst
  ixpk= 130, nxpk= 60, iat= 567, 580, r1= 0.00, r2= 1.80, r3= 3.50, r4= 4.25,  &end
#
#   33 VAL  MGY          35 HIS  HD2         4.50    (#    131:60  Unique         4.10, 6.60 A)
 &rst
  ixpk= 131, nxpk= 60, iat=  -1, 580, r1= 0.00, r2= 1.80, r3= 6.07, r4= 6.82,
 igr1= 541, 542, 543, 545, 546, 547,
 &end
#
#   79 LYS  HD+          24 TRP  HZ2         4.50    (#    132:60  Unique         2.05, 3.84 A)
 &rst
  ixpk= 132, nxpk= 60, iat=  -1, 411, r1= 0.00, r2= 1.80, r3= 5.05, r4= 5.80,
 igr1=1214,1215,
 &end
#
#   34 VAL  HA           35 HIS  HD2         4.50    (#    133:60  Unique         2.95, 3.12 A)
 &rst
  ixpk= 133, nxpk= 60, iat= 553, 580, r1= 0.00, r2= 1.80, r3= 4.50, r4= 5.25,  &end
# 1960 atoms read from pdb file prm1.pdb.
# 15 GLU PHI:  (14 ILE C)-(15 GLU N)-(15 GLU CA)-(15 GLU C) -132.9 -72.9
 &rst     iat =   221,   223,   225,   236,
   r1 = -133.9, r2 = -132.9, r3 = -72.9, r4 = -71.9,
   rk2 =   50.0, rk3 =   50.0,    &end

# 15 GLU PSI:  (15 GLU N)-(15 GLU CA)-(15 GLU C)-(16 ILE N) 110.3 170.3
 &rst     iat =   223,   225,   236,   238,
   r1 = 109.3, r2 = 110.3, r3 = 170.3, r4 = 171.3,
 &end

# 16 ILE PHI:  (15 GLU C)-(16 ILE N)-(16 ILE CA)-(16 ILE C) -125.6 -65.6
 &rst     iat =   236,   238,   240,   255,
   r1 = -126.6, r2 = -125.6, r3 = -65.6, r4 = -64.6,
 &end

# 16 ILE PSI:  (16 ILE N)-(16 ILE CA)-(16 ILE C)-(17 PHE N)  95.7 155.7
 &rst     iat =   238,   240,   255,   257,
   r1 =  94.7, r2 =  95.7, r3 = 155.7, r4 = 156.7,
 &end

# 23 HIS PHI:  (22 ARG C)-(23 HIS N)-(23 HIS CA)-(23 HIS C) -159.3 -99.3
 &rst     iat =   378,   380,   382,   395,
   r1 = -160.3, r2 = -159.3, r3 = -99.3, r4 = -98.3,
 &end

# 23 HIS PSI:  (23 HIS N)-(23 HIS CA)-(23 HIS C)-(24 TRP N) 108.2 168.2
 &rst     iat =   380,   382,   395,   397,
   r1 = 107.2, r2 = 108.2, r3 = 168.2, r4 = 169.2,
 &end

# 24 TRP PHI:  (23 HIS C)-(24 TRP N)-(24 TRP CA)-(24 TRP C) -149.2 -89.2
 &rst     iat =   395,   397,   399,   419,
   r1 = -150.2, r2 = -149.2, r3 = -89.2, r4 = -88.2,
 &end

# 24 TRP PSI:  (24 TRP N)-(24 TRP CA)-(24 TRP C)-(25 ALA N) 109.7 169.7
 &rst     iat =   397,   399,   419,   421,
   r1 = 108.7, r2 = 109.7, r3 = 169.7, r4 = 170.7,
 &end

# 25 ALA PHI:  (24 TRP C)-(25 ALA N)-(25 ALA CA)-(25 ALA C) -166.8 -106.8
 &rst     iat =   419,   421,   423,   429,
   r1 = -167.8, r2 = -166.8, r3 = -106.8, r4 = -105.8,
 &end

# 25 ALA PSI:  (25 ALA N)-(25 ALA CA)-(25 ALA C)-(26 ILE N) 114.7 174.7
 &rst     iat =   421,   423,   429,   431,
   r1 = 113.7, r2 = 114.7, r3 = 174.7, r4 = 175.7,
 &end

# 26 ILE PHI:  (25 ALA C)-(26 ILE N)-(26 ILE CA)-(26 ILE C) -157.4 -97.5
 &rst     iat =   429,   431,   433,   448,
   r1 = -158.4, r2 = -157.4, r3 = -97.5, r4 = -96.5,
 &end

# 26 ILE PSI:  (26 ILE N)-(26 ILE CA)-(26 ILE C)-(27 TYR N)  91.2 151.2
 &rst     iat =   431,   433,   448,   450,
   r1 =  90.2, r2 =  91.2, r3 = 151.2, r4 = 152.2,
 &end

# 33 VAL PHI:  (32 TYR C)-(33 VAL N)-(33 VAL CA)-(33 VAL C) -151.9 -91.9
 &rst     iat =   532,   534,   536,   548,
   r1 = -152.9, r2 = -151.9, r3 = -91.9, r4 = -90.9,
 &end

# 33 VAL PSI:  (33 VAL N)-(33 VAL CA)-(33 VAL C)-(34 VAL N) 114.9 174.9
 &rst     iat =   534,   536,   548,   550,
   r1 = 113.9, r2 = 114.9, r3 = 174.9, r4 = 175.9,
 &end

# 34 VAL PHI:  (33 VAL C)-(34 VAL N)-(34 VAL CA)-(34 VAL C) -142.9 -82.9
 &rst     iat =   548,   550,   552,   564,
   r1 = -143.9, r2 = -142.9, r3 = -82.9, r4 = -81.9,
 &end

# 34 VAL PSI:  (34 VAL N)-(34 VAL CA)-(34 VAL C)-(35 HIS N) 103.2 163.2
 &rst     iat =   550,   552,   564,   566,
   r1 = 102.2, r2 = 103.2, r3 = 163.2, r4 = 164.2,
 &end

# 36 LEU PHI:  (35 HIS C)-(36 LEU N)-(36 LEU CA)-(36 LEU C) -143.3 -83.3
 &rst     iat =   581,   583,   585,   600,
   r1 = -144.3, r2 = -143.3, r3 = -83.3, r4 = -82.3,
 &end

# 36 LEU PSI:  (36 LEU N)-(36 LEU CA)-(36 LEU C)-(37 ALA N) 102.9 162.9
 &rst     iat =   583,   585,   600,   602,
   r1 = 101.9, r2 = 102.9, r3 = 162.9, r4 = 163.9,
 &end

# 62 LYS PHI:  (61 LYS C)-(62 LYS N)-(62 LYS CA)-(62 LYS C) -142.4 -82.4
 &rst     iat =   933,   935,   937,   955,
   r1 = -143.4, r2 = -142.4, r3 = -82.4, r4 = -81.4,
 &end

# 62 LYS PSI:  (62 LYS N)-(62 LYS CA)-(62 LYS C)-(63 GLU N) 100.0 160.0
 &rst     iat =   935,   937,   955,   957,
   r1 =  99.0, r2 = 100.0, r3 = 160.0, r4 = 161.0,
 &end

# 63 GLU PHI:  (62 LYS C)-(63 GLU N)-(63 GLU CA)-(63 GLU C) -151.6 -91.6
 &rst     iat =   955,   957,   959,   970,
   r1 = -152.6, r2 = -151.6, r3 = -91.6, r4 = -90.6,
 &end

# 63 GLU PSI:  (63 GLU N)-(63 GLU CA)-(63 GLU C)-(64 LEU N) 106.7 166.7
 &rst     iat =   957,   959,   970,   972,
   r1 = 105.7, r2 = 106.7, r3 = 166.7, r4 = 167.7,
 &end

# 65 LEU PHI:  (64 LEU C)-(65 LEU N)-(65 LEU CA)-(65 LEU C) -98.4 -38.4
 &rst     iat =   989,   991,   993,  1008,
   r1 = -99.4, r2 = -98.4, r3 = -38.4, r4 = -37.4,
 &end

# 65 LEU PSI:  (65 LEU N)-(65 LEU CA)-(65 LEU C)-(66 TYR N) -70.9 -10.9
 &rst     iat =   991,   993,  1008,  1010,
   r1 = -71.9, r2 = -70.9, r3 = -10.9, r4 =  -9.9,
 &end

# 66 TYR PHI:  (65 LEU C)-(66 TYR N)-(66 TYR CA)-(66 TYR C) -91.3 -31.3
 &rst     iat =  1008,  1010,  1012,  1029,
   r1 = -92.3, r2 = -91.3, r3 = -31.3, r4 = -30.3,
 &end

# 66 TYR PSI:  (66 TYR N)-(66 TYR CA)-(66 TYR C)-(67 ASP N) -68.0  -8.0
 &rst     iat =  1010,  1012,  1029,  1031,
   r1 = -69.0, r2 = -68.0, r3 =  -8.0, r4 =  -7.0,
 &end

# 68 VAL PHI:  (67 ASP C)-(68 VAL N)-(68 VAL CA)-(68 VAL C) -93.1 -33.1
 &rst     iat =  1041,  1043,  1045,  1057,
   r1 = -94.1, r2 = -93.1, r3 = -33.1, r4 = -32.1,
 &end

# 68 VAL PSI:  (68 VAL N)-(68 VAL CA)-(68 VAL C)-(69 ALA N) -69.2  -9.2
 &rst     iat =  1043,  1045,  1057,  1059,
   r1 = -70.2, r2 = -69.2, r3 =  -9.2, r4 =  -8.2,
 &end

# 74 TYR PHI:  (73 LYS C)-(74 TYR N)-(74 TYR CA)-(74 TYR C) -168.3 -108.3
 &rst     iat =  1119,  1121,  1123,  1140,
   r1 = -169.3, r2 = -168.3, r3 = -108.3, r4 = -107.3,
 &end

# 74 TYR PSI:  (74 TYR N)-(74 TYR CA)-(74 TYR C)-(75 GLN N) 126.2 186.2
 &rst     iat =  1121,  1123,  1140,  1142,
   r1 = 125.2, r2 = 126.2, r3 = 186.2, r4 = 187.2,
 &end

# 75 GLN PHI:  (74 TYR C)-(75 GLN N)-(75 GLN CA)-(75 GLN C) -154.7 -94.7
 &rst     iat =  1140,  1142,  1144,  1157,
   r1 = -155.7, r2 = -154.7, r3 = -94.7, r4 = -93.7,
 &end

# 75 GLN PSI:  (75 GLN N)-(75 GLN CA)-(75 GLN C)-(76 VAL N) 106.5 166.5
 &rst     iat =  1142,  1144,  1157,  1159,
   r1 = 105.5, r2 = 106.5, r3 = 166.5, r4 = 167.5,
 &end

# 76 VAL PHI:  (75 GLN C)-(76 VAL N)-(76 VAL CA)-(76 VAL C) -128.0 -68.0
 &rst     iat =  1157,  1159,  1161,  1173,
   r1 = -129.0, r2 = -128.0, r3 = -68.0, r4 = -67.0,
 &end

# 76 VAL PSI:  (76 VAL N)-(76 VAL CA)-(76 VAL C)-(77 ASN N)  90.5 150.5
 &rst     iat =  1159,  1161,  1173,  1175,
   r1 =  89.5, r2 =  90.5, r3 = 150.5, r4 = 151.5,
 &end

# 89 CYS PHI:  (88 PRO C)-(89 CYS N)-(89 CYS CA)-(89 CYS C) -94.4 -34.4
 &rst     iat =  1365,  1367,  1369,  1376,
   r1 = -95.4, r2 = -94.4, r3 = -34.4, r4 = -33.4,
 &end

# 89 CYS PSI:  (89 CYS N)-(89 CYS CA)-(89 CYS C)-(90 SER N) -70.5 -10.5
 &rst     iat =  1367,  1369,  1376,  1378,
   r1 = -71.5, r2 = -70.5, r3 = -10.5, r4 =  -9.5,
 &end

# 90 SER PHI:  (89 CYS C)-(90 SER N)-(90 SER CA)-(90 SER C) -91.6 -31.6
 &rst     iat =  1376,  1378,  1380,  1387,
   r1 = -92.6, r2 = -91.6, r3 = -31.6, r4 = -30.6,
 &end

# 90 SER PSI:  (90 SER N)-(90 SER CA)-(90 SER C)-(91 LYS N) -68.4  -8.4
 &rst     iat =  1378,  1380,  1387,  1389,
   r1 = -69.4, r2 = -68.4, r3 =  -8.4, r4 =  -7.4,
 &end

# 91 LYS PHI:  (90 SER C)-(91 LYS N)-(91 LYS CA)-(91 LYS C) -93.6 -33.6
 &rst     iat =  1387,  1389,  1391,  1409,
   r1 = -94.6, r2 = -93.6, r3 = -33.6, r4 = -32.6,
 &end

# 91 LYS PSI:  (91 LYS N)-(91 LYS CA)-(91 LYS C)-(92 ILE N) -72.5 -12.5
 &rst     iat =  1389,  1391,  1409,  1411,
   r1 = -73.5, r2 = -72.5, r3 = -12.5, r4 = -11.5,
 &end

# 92 ILE PHI:  (91 LYS C)-(92 ILE N)-(92 ILE CA)-(92 ILE C) -96.2 -36.2
 &rst     iat =  1409,  1411,  1413,  1428,
   r1 = -97.2, r2 = -96.2, r3 = -36.2, r4 = -35.2,
 &end

# 92 ILE PSI:  (92 ILE N)-(92 ILE CA)-(92 ILE C)-(93 ILE N) -72.2 -12.2
 &rst     iat =  1411,  1413,  1428,  1430,
   r1 = -73.2, r2 = -72.2, r3 = -12.2, r4 = -11.2,
 &end

# 93 ILE PHI:  (92 ILE C)-(93 ILE N)-(93 ILE CA)-(93 ILE C) -95.4 -35.4
 &rst     iat =  1428,  1430,  1432,  1447,
   r1 = -96.4, r2 = -95.4, r3 = -35.4, r4 = -34.4,
 &end

# 93 ILE PSI:  (93 ILE N)-(93 ILE CA)-(93 ILE C)-(94 GLN N) -73.4 -13.4
 &rst     iat =  1430,  1432,  1447,  1449,
   r1 = -74.4, r2 = -73.4, r3 = -13.4, r4 = -12.4,
 &end

# 94 GLN PHI:  (93 ILE C)-(94 GLN N)-(94 GLN CA)-(94 GLN C) -94.5 -34.5
 &rst     iat =  1447,  1449,  1451,  1464,
   r1 = -95.5, r2 = -94.5, r3 = -34.5, r4 = -33.5,
 &end

# 94 GLN PSI:  (94 GLN N)-(94 GLN CA)-(94 GLN C)-(95 ARG N) -70.7 -10.7
 &rst     iat =  1449,  1451,  1464,  1466,
   r1 = -71.7, r2 = -70.7, r3 = -10.7, r4 =  -9.7,
 &end

# 95 ARG PHI:  (94 GLN C)-(95 ARG N)-(95 ARG CA)-(95 ARG C) -96.2 -36.2
 &rst     iat =  1464,  1466,  1468,  1488,
   r1 = -97.2, r2 = -96.2, r3 = -36.2, r4 = -35.2,
 &end

# 95 ARG PSI:  (95 ARG N)-(95 ARG CA)-(95 ARG C)-(96 ALA N) -71.3 -11.3
 &rst     iat =  1466,  1468,  1488,  1490,
   r1 = -72.3, r2 = -71.3, r3 = -11.3, r4 = -10.3,
 &end

# 96 ALA PHI:  (95 ARG C)-(96 ALA N)-(96 ALA CA)-(96 ALA C) -93.3 -33.3
 &rst     iat =  1488,  1490,  1492,  1498,
   r1 = -94.3, r2 = -93.3, r3 = -33.3, r4 = -32.3,
 &end

# 96 ALA PSI:  (96 ALA N)-(96 ALA CA)-(96 ALA C)-(97 GLU N) -71.5 -11.5
 &rst     iat =  1490,  1492,  1498,  1500,
   r1 = -72.5, r2 = -71.5, r3 = -11.5, r4 = -10.5,
 &end

# 103 GLU PHI:  (102 GLN C)-(103 GLU N)-(103 GLU CA)-(103 GLU C) -142.3 -82.3
 &rst     iat =  1587,  1589,  1591,  1602,
   r1 = -143.3, r2 = -142.3, r3 = -82.3, r4 = -81.3,
 &end

# 103 GLU PSI:  (103 GLU N)-(103 GLU CA)-(103 GLU C)-(104 VAL N) 110.4 170.4
 &rst     iat =  1589,  1591,  1602,  1604,
   r1 = 109.4, r2 = 110.4, r3 = 170.4, r4 = 171.4,
 &end

# 110 SER PHI:  (109 THR C)-(110 SER N)-(110 SER CA)-(110 SER C) -92.4 -32.4
 &rst     iat =  1713,  1715,  1717,  1724,
   r1 = -93.4, r2 = -92.4, r3 = -32.4, r4 = -31.4,
 &end

# 110 SER PSI:  (110 SER N)-(110 SER CA)-(110 SER C)-(111 GLU N) -64.5  -4.5
 &rst     iat =  1715,  1717,  1724,  1726,
   r1 = -65.5, r2 = -64.5, r3 =  -4.5, r4 =  -3.5,
 &end

# 111 GLU PHI:  (110 SER C)-(111 GLU N)-(111 GLU CA)-(111 GLU C) -96.8 -36.8
 &rst     iat =  1724,  1726,  1728,  1739,
   r1 = -97.8, r2 = -96.8, r3 = -36.8, r4 = -35.8,
 &end

# 111 GLU PSI:  (111 GLU N)-(111 GLU CA)-(111 GLU C)-(112 ASN N) -72.2 -12.2
 &rst     iat =  1726,  1728,  1739,  1741,
   r1 = -73.2, r2 = -72.2, r3 = -12.2, r4 = -11.2,
 &end

# 112 ASN PHI:  (111 GLU C)-(112 ASN N)-(112 ASN CA)-(112 ASN C) -93.5 -33.5
 &rst     iat =  1739,  1741,  1743,  1753,
   r1 = -94.5, r2 = -93.5, r3 = -33.5, r4 = -32.5,
 &end

# 112 ASN PSI:  (112 ASN N)-(112 ASN CA)-(112 ASN C)-(113 CYS N) -69.3  -9.3
 &rst     iat =  1741,  1743,  1753,  1755,
   r1 = -70.3, r2 = -69.3, r3 =  -9.3, r4 =  -8.3,
 &end

# 113 CYS PHI:  (112 ASN C)-(113 CYS N)-(113 CYS CA)-(113 CYS C) -98.5 -38.5
 &rst     iat =  1753,  1755,  1757,  1764,
   r1 = -99.5, r2 = -98.5, r3 = -38.5, r4 = -37.5,
 &end

# 113 CYS PSI:  (113 CYS N)-(113 CYS CA)-(113 CYS C)-(114 GLU N) -71.7 -11.7
 &rst     iat =  1755,  1757,  1764,  1766,
   r1 = -72.7, r2 = -71.7, r3 = -11.7, r4 = -10.7,
 &end

# 114 GLU PHI:  (113 CYS C)-(114 GLU N)-(114 GLU CA)-(114 GLU C) -96.0 -36.0
 &rst     iat =  1764,  1766,  1768,  1779,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 114 GLU PSI:  (114 GLU N)-(114 GLU CA)-(114 GLU C)-(115 HIS N) -70.9 -10.9
 &rst     iat =  1766,  1768,  1779,  1781,
   r1 = -71.9, r2 = -70.9, r3 = -10.9, r4 =  -9.9,
 &end

# 115 HIS PHI:  (114 GLU C)-(115 HIS N)-(115 HIS CA)-(115 HIS C) -95.0 -35.0
 &rst     iat =  1779,  1781,  1783,  1796,
   r1 = -96.0, r2 = -95.0, r3 = -35.0, r4 = -34.0,
 &end

# 115 HIS PSI:  (115 HIS N)-(115 HIS CA)-(115 HIS C)-(116 PHE N) -70.2 -10.2
 &rst     iat =  1781,  1783,  1796,  1798,
   r1 = -71.2, r2 = -70.2, r3 = -10.2, r4 =  -9.2,
 &end

# 116 PHE PHI:  (115 HIS C)-(116 PHE N)-(116 PHE CA)-(116 PHE C) -94.3 -34.3
 &rst     iat =  1796,  1798,  1800,  1816,
   r1 = -95.3, r2 = -94.3, r3 = -34.3, r4 = -33.3,
 &end

# 116 PHE PSI:  (116 PHE N)-(116 PHE CA)-(116 PHE C)-(117 VAL N) -70.7 -10.7
 &rst     iat =  1798,  1800,  1816,  1818,
   r1 = -71.7, r2 = -70.7, r3 = -10.7, r4 =  -9.7,
 &end

# 117 VAL PHI:  (116 PHE C)-(117 VAL N)-(117 VAL CA)-(117 VAL C) -98.1 -38.1
 &rst     iat =  1816,  1818,  1820,  1832,
   r1 = -99.1, r2 = -98.1, r3 = -38.1, r4 = -37.1,
 &end

# 117 VAL PSI:  (117 VAL N)-(117 VAL CA)-(117 VAL C)-(118 ASN N) -65.1  -5.1
 &rst     iat =  1818,  1820,  1832,  1834,
   r1 = -66.1, r2 = -65.1, r3 =  -5.1, r4 =  -4.1,
 &end

# 118 ASN PHI:  (117 VAL C)-(118 ASN N)-(118 ASN CA)-(118 ASN C) -96.0 -36.0
 &rst     iat =  1832,  1834,  1836,  1846,
   r1 = -97.0, r2 = -96.0, r3 = -36.0, r4 = -35.0,
 &end

# 118 ASN PSI:  (118 ASN N)-(118 ASN CA)-(118 ASN C)-(119 GLU N) -72.1 -12.1
 &rst     iat =  1834,  1836,  1846,  1848,
   r1 = -73.1, r2 = -72.1, r3 = -12.1, r4 = -11.1,
 &end

# 119 GLU PHI:  (118 ASN C)-(119 GLU N)-(119 GLU CA)-(119 GLU C) -96.1 -36.1
 &rst     iat =  1846,  1848,  1850,  1861,
   r1 = -97.1, r2 = -96.1, r3 = -36.1, r4 = -35.1,
 &end

# 119 GLU PSI:  (119 GLU N)-(119 GLU CA)-(119 GLU C)-(120 LEU N) -69.1  -9.1
 &rst     iat =  1848,  1850,  1861,  1863,
   r1 = -70.1, r2 = -69.1, r3 =  -9.1, r4 =  -8.1,
 &end

# 121 ARG PHI:  (120 LEU C)-(121 ARG N)-(121 ARG CA)-(121 ARG C) -101.5 -41.5
 &rst     iat =  1880,  1882,  1884,  1904,
   r1 = -102.5, r2 = -101.5, r3 = -41.5, r4 = -40.5,
 &end

# 121 ARG PSI:  (121 ARG N)-(121 ARG CA)-(121 ARG C)-(122 TYR N) -58.2   1.8
 &rst     iat =  1882,  1884,  1904,  1906,
   r1 = -59.2, r2 = -58.2, r3 =   1.8, r4 =   2.8,
 &end

#
# 23 HIS O 16 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 239, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05, 
      rk2=40.0, rk3=40.0, ir6=1, ialtd=1,
 &end
#
# 23 HIS O 16 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 238, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 16 ILE O 23 HIS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 381, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 16 ILE O 23 HIS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 380, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 14 ILE O 25 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 422, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 14 ILE O 25 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 421, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 25 ALA O 14 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 205, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 25 ALA O 14 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 204, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 33 VAL O 63 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 958, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 33 VAL O 63 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 957, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 63 GLU O 33 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 971, 535, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 63 GLU O 33 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 971, 534, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 35 HIS O 61 LYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 914, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 35 HIS O 61 LYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 913, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 61 LYS O 35 HIS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 567, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 61 LYS O 35 HIS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 934, 566, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 37 ALA O 59 ILE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 879, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 37 ALA O 59 ILE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 611, 878, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 59 ILE O 37 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 603, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 59 ILE O 37 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 896, 602, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 15 GLU O 75 GLN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1143, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 15 GLU O 75 GLN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat= 237,1142, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 75 GLN O 15 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1158, 224, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 75 GLN O 15 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1158, 223, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 65 LEU O 69 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1060, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 65 LEU O 69 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1009,1059, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 91 LYS O 95 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1410,1467, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 91 LYS O 95 ARG N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1410,1466, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 92 ILE O 96 ALA HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1429,1491, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 92 ILE O 96 ALA N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1429,1490, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 93 ILE O 97 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1448,1501, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 93 ILE O 97 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1448,1500, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 94 GLN O 98 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1465,1516, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 94 GLN O 98 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1465,1515, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 95 ARG O 99 LEU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1489,1531, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 95 ARG O 99 LEU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1489,1530, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 109 THR O 113 CYS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1714,1756, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 109 THR O 113 CYS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1714,1755, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 110 SER O 114 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1725,1767, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 110 SER O 114 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1725,1766, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 111 GLU O 115 HIS HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1740,1782, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 111 GLU O 115 HIS N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1740,1781, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 112 ASN O 116 PHE HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1754,1799, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 112 ASN O 116 PHE N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1754,1798, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 113 CYS O 117 VAL HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1765,1819, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 113 CYS O 117 VAL N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1765,1818, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 114 GLU O 118 ASN HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1780,1835, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 114 GLU O 118 ASN N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1780,1834, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 115 HIS O 119 GLU HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1797,1849, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 115 HIS O 119 GLU N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1797,1848, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &end
#
# 117 VAL O 121 ARG HN 1.8 2.3
 &rst
  ixpk= 0, nxpk= 0, iat=1833,1883, r1= 0.00, r2= 1.80, r3= 2.30, r4= 3.05,  &end
#
# 117 VAL O 121 ARG N 2.5 3.3
 &rst
  ixpk= 0, nxpk= 0, iat=1833,1882, r1= 0.00, r2= 2.50, r3= 3.30, r4= 4.05,  &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:  CG NE HD2 HD3
 &rst iat=27,33,31,32, &end
#
#  chirality for residue 2 atoms:  N C HA CB
 &rst iat=20,42,23,24, &end
#
#  chirality for residue 3 atoms:  N C HA CB
 &rst iat=44,52,47,48, &end
#
#  chirality for residue 4 atoms:  CA CG HB2 HB3
 &rst iat=64,58,62,63, &end
#
#  chirality for residue 4 atoms:  CB CD HG2 HG3
 &rst iat=61,55,59,60, &end
#
#  chirality for residue 4 atoms:  CG N HD2 HD3
 &rst iat=58,54,56,57, &end
#
#  chirality for residue 4 atoms:  N C HA CB
 &rst iat=54,66,65,61, &end
#
#  chirality for residue 5 atoms:  CA CG2 CG1 HB
 &rst iat=70,74,78,73, &end
#
#  chirality for residue 5 atoms:  CB CD1 HG12 HG13
 &rst iat=72,81,79,80, &end
#
#  chirality for residue 5 atoms:  N C HA CB
 &rst iat=68,85,71,72, &end
#
#  chirality for residue 6 atoms:  CA CG HB2 HB3
 &rst iat=97,91,95,96, &end
#
#  chirality for residue 6 atoms:  CB CD HG2 HG3
 &rst iat=94,88,92,93, &end
#
#  chirality for residue 6 atoms:  CG N HD2 HD3
 &rst iat=91,87,89,90, &end
#
#  chirality for residue 6 atoms:  N C HA CB
 &rst iat=87,99,98,94, &end
#
#  chirality for residue 7 atoms:  CA CG HB2 HB3
 &rst iat=103,108,106,107, &end
#
#  chirality for residue 7 atoms:  CB CD HG2 HG3
 &rst iat=105,111,109,110, &end
#
#  chirality for residue 7 atoms:  N C HA CB
 &rst iat=101,114,104,105, &end
#
#  chirality for residue 8 atoms:  CA CG HB2 HB3
 &rst iat=126,120,124,125, &end
#
#  chirality for residue 8 atoms:  CB CD HG2 HG3
 &rst iat=123,117,121,122, &end
#
#  chirality for residue 8 atoms:  CG N HD2 HD3
 &rst iat=120,116,118,119, &end
#
#  chirality for residue 8 atoms:  N C HA CB
 &rst iat=116,128,127,123, &end
#
#  chirality for residue 9 atoms:  CA CG HB2 HB3
 &rst iat=132,137,135,136, &end
#
#  chirality for residue 9 atoms:  CB CD HG2 HG3
 &rst iat=134,140,138,139, &end
#
#  chirality for residue 9 atoms:  CD NZ HE2 HE3
 &rst iat=140,146,144,145, &end
#
#  chirality for residue 9 atoms:  CG CE HD2 HD3
 &rst iat=137,143,141,142, &end
#
#  chirality for residue 9 atoms:  N C HA CB
 &rst iat=130,150,133,134, &end
#
#  chirality for residue 10 atoms:  CA CG HB2 HB3
 &rst iat=162,156,160,161, &end
#
#  chirality for residue 10 atoms:  CB CD HG2 HG3
 &rst iat=159,153,157,158, &end
#
#  chirality for residue 10 atoms:  CG N HD2 HD3
 &rst iat=156,152,154,155, &end
#
#  chirality for residue 10 atoms:  N C HA CB
 &rst iat=152,164,163,159, &end
#
#  chirality for residue 11 atoms:  N C HA2 HA3
 &rst iat=166,171,169,170, &end
#
#  chirality for residue 12 atoms:  CA CG HB2 HB3
 &rst iat=175,180,178,179, &end
#
#  chirality for residue 12 atoms:  N C HA CB
 &rst iat=173,183,176,177, &end
#
#  chirality for residue 13 atoms:  CA CG HB2 HB3
 &rst iat=187,192,190,191, &end
#
#  chirality for residue 13 atoms:  CB CD1 CD2 HG
 &rst iat=189,194,198,193, &end
#
#  chirality for residue 13 atoms:  N C HA CB
 &rst iat=185,202,188,189, &end
#
#  chirality for residue 14 atoms:  CA CG2 CG1 HB
 &rst iat=206,210,214,209, &end
#
#  chirality for residue 14 atoms:  CB CD1 HG12 HG13
 &rst iat=208,217,215,216, &end
#
#  chirality for residue 14 atoms:  N C HA CB
 &rst iat=204,221,207,208, &end
#
#  chirality for residue 15 atoms:  CA CG HB2 HB3
 &rst iat=225,230,228,229, &end
#
#  chirality for residue 15 atoms:  CB CD HG2 HG3
 &rst iat=227,233,231,232, &end
#
#  chirality for residue 15 atoms:  N C HA CB
 &rst iat=223,236,226,227, &end
#
#  chirality for residue 16 atoms:  CA CG2 CG1 HB
 &rst iat=240,244,248,243, &end
#
#  chirality for residue 16 atoms:  CB CD1 HG12 HG13
 &rst iat=242,251,249,250, &end
#
#  chirality for residue 16 atoms:  N C HA CB
 &rst iat=238,255,241,242, &end
#
#  chirality for residue 17 atoms:  CA CG HB2 HB3
 &rst iat=259,264,262,263, &end
#
#  chirality for residue 17 atoms:  N C HA CB
 &rst iat=257,275,260,261, &end
#
#  chirality for residue 18 atoms:  CA CG HB2 HB3
 &rst iat=279,284,282,283, &end
#
#  chirality for residue 18 atoms:  CB CD HG2 HG3
 &rst iat=281,287,285,286, &end
#
#  chirality for residue 18 atoms:  CG NE HD2 HD3
 &rst iat=284,290,288,289, &end
#
#  chirality for residue 18 atoms:  N C HA CB
 &rst iat=277,299,280,281, &end
#
#  chirality for residue 19 atoms:  CA CG HB2 HB3
 &rst iat=311,305,309,310, &end
#
#  chirality for residue 19 atoms:  CB CD HG2 HG3
 &rst iat=308,302,306,307, &end
#
#  chirality for residue 19 atoms:  CG N HD2 HD3
 &rst iat=305,301,303,304, &end
#
#  chirality for residue 19 atoms:  N C HA CB
 &rst iat=301,313,312,308, &end
#
#  chirality for residue 20 atoms:  CA CG HB2 HB3
 &rst iat=317,322,320,321, &end
#
#  chirality for residue 20 atoms:  N C HA CB
 &rst iat=315,333,318,319, &end
#
#  chirality for residue 21 atoms:  CA CG HB2 HB3
 &rst iat=337,342,340,341, &end
#
#  chirality for residue 21 atoms:  N C HA CB
 &rst iat=335,354,338,339, &end
#
#  chirality for residue 22 atoms:  CA CG HB2 HB3
 &rst iat=358,363,361,362, &end
#
#  chirality for residue 22 atoms:  CB CD HG2 HG3
 &rst iat=360,366,364,365, &end
#
#  chirality for residue 22 atoms:  CG NE HD2 HD3
 &rst iat=363,369,367,368, &end
#
#  chirality for residue 22 atoms:  N C HA CB
 &rst iat=356,378,359,360, &end
#
#  chirality for residue 23 atoms:  CA CG HB2 HB3
 &rst iat=382,387,385,386, &end
#
#  chirality for residue 23 atoms:  N C HA CB
 &rst iat=380,395,383,384, &end
#
#  chirality for residue 24 atoms:  CA CG HB2 HB3
 &rst iat=399,404,402,403, &end
#
#  chirality for residue 24 atoms:  N C HA CB
 &rst iat=397,419,400,401, &end
#
#  chirality for residue 25 atoms:  N C HA CB
 &rst iat=421,429,424,425, &end
#
#  chirality for residue 26 atoms:  CA CG2 CG1 HB
 &rst iat=433,437,441,436, &end
#
#  chirality for residue 26 atoms:  CB CD1 HG12 HG13
 &rst iat=435,444,442,443, &end
#
#  chirality for residue 26 atoms:  N C HA CB
 &rst iat=431,448,434,435, &end
#
#  chirality for residue 27 atoms:  CA CG HB2 HB3
 &rst iat=452,457,455,456, &end
#
#  chirality for residue 27 atoms:  N C HA CB
 &rst iat=450,469,453,454, &end
#
#  chirality for residue 28 atoms:  CA CG1 CG2 HB
 &rst iat=473,477,481,476, &end
#
#  chirality for residue 28 atoms:  N C HA CB
 &rst iat=471,485,474,475, &end
#
#  chirality for residue 29 atoms:  N C HA2 HA3
 &rst iat=487,492,490,491, &end
#
#  chirality for residue 30 atoms:  CA CG HB2 HB3
 &rst iat=496,501,499,500, &end
#
#  chirality for residue 30 atoms:  N C HA CB
 &rst iat=494,504,497,498, &end
#
#  chirality for residue 31 atoms:  N C HA2 HA3
 &rst iat=506,511,509,510, &end
#
#  chirality for residue 32 atoms:  CA CG HB2 HB3
 &rst iat=515,520,518,519, &end
#
#  chirality for residue 32 atoms:  N C HA CB
 &rst iat=513,532,516,517, &end
#
#  chirality for residue 33 atoms:  CA CG1 CG2 HB
 &rst iat=536,540,544,539, &end
#
#  chirality for residue 33 atoms:  N C HA CB
 &rst iat=534,548,537,538, &end
#
#  chirality for residue 34 atoms:  CA CG1 CG2 HB
 &rst iat=552,556,560,555, &end
#
#  chirality for residue 34 atoms:  N C HA CB
 &rst iat=550,564,553,554, &end
#
#  chirality for residue 35 atoms:  CA CG HB2 HB3
 &rst iat=568,573,571,572, &end
#
#  chirality for residue 35 atoms:  N C HA CB
 &rst iat=566,581,569,570, &end
#
#  chirality for residue 36 atoms:  CA CG HB2 HB3
 &rst iat=585,590,588,589, &end
#
#  chirality for residue 36 atoms:  CB CD1 CD2 HG
 &rst iat=587,592,596,591, &end
#
#  chirality for residue 36 atoms:  N C HA CB
 &rst iat=583,600,586,587, &end
#
#  chirality for residue 37 atoms:  N C HA CB
 &rst iat=602,610,605,606, &end
#
#  chirality for residue 38 atoms:  CA CG HB2 HB3
 &rst iat=622,616,620,621, &end
#
#  chirality for residue 38 atoms:  CB CD HG2 HG3
 &rst iat=619,613,617,618, &end
#
#  chirality for residue 38 atoms:  CG N HD2 HD3
 &rst iat=616,612,614,615, &end
#
#  chirality for residue 38 atoms:  N C HA CB
 &rst iat=612,624,623,619, &end
#
#  chirality for residue 39 atoms:  CA CG HB2 HB3
 &rst iat=636,630,634,635, &end
#
#  chirality for residue 39 atoms:  CB CD HG2 HG3
 &rst iat=633,627,631,632, &end
#
#  chirality for residue 39 atoms:  CG N HD2 HD3
 &rst iat=630,626,628,629, &end
#
#  chirality for residue 39 atoms:  N C HA CB
 &rst iat=626,638,637,633, &end
#
#  chirality for residue 40 atoms:  CA OG HB2 HB3
 &rst iat=642,647,645,646, &end
#
#  chirality for residue 40 atoms:  N C HA CB
 &rst iat=640,649,643,644, &end
#
#  chirality for residue 41 atoms:  CA CG HB2 HB3
 &rst iat=653,658,656,657, &end
#
#  chirality for residue 41 atoms:  CB CD HG2 HG3
 &rst iat=655,661,659,660, &end
#
#  chirality for residue 41 atoms:  N C HA CB
 &rst iat=651,664,654,655, &end
#
#  chirality for residue 42 atoms:  CA CG1 CG2 HB
 &rst iat=668,672,676,671, &end
#
#  chirality for residue 42 atoms:  N C HA CB
 &rst iat=666,680,669,670, &end
#
#  chirality for residue 43 atoms:  N C HA CB
 &rst iat=682,690,685,686, &end
#
#  chirality for residue 44 atoms:  N C HA2 HA3
 &rst iat=692,697,695,696, &end
#
#  chirality for residue 45 atoms:  N C HA CB
 &rst iat=699,707,702,703, &end
#
#  chirality for residue 46 atoms:  N C HA2 HA3
 &rst iat=709,714,712,713, &end
#
#  chirality for residue 47 atoms:  N C HA CB
 &rst iat=716,724,719,720, &end
#
#  chirality for residue 48 atoms:  N C HA CB
 &rst iat=726,734,729,730, &end
#
#  chirality for residue 49 atoms:  CA OG HB2 HB3
 &rst iat=738,743,741,742, &end
#
#  chirality for residue 49 atoms:  N C HA CB
 &rst iat=736,745,739,740, &end
#
#  chirality for residue 50 atoms:  CA CG1 CG2 HB
 &rst iat=749,753,757,752, &end
#
#  chirality for residue 50 atoms:  N C HA CB
 &rst iat=747,761,750,751, &end
#
#  chirality for residue 51 atoms:  CA CG HB2 HB3
 &rst iat=765,770,768,769, &end
#
#  chirality for residue 51 atoms:  CB SD HG2 HG3
 &rst iat=767,773,771,772, &end
#
#  chirality for residue 51 atoms:  N C HA CB
 &rst iat=763,778,766,767, &end
#
#  chirality for residue 52 atoms:  CA OG HB2 HB3
 &rst iat=782,787,785,786, &end
#
#  chirality for residue 52 atoms:  N C HA CB
 &rst iat=780,789,783,784, &end
#
#  chirality for residue 53 atoms:  N C HA CB
 &rst iat=791,799,794,795, &end
#
#  chirality for residue 54 atoms:  CA CG HB2 HB3
 &rst iat=803,808,806,807, &end
#
#  chirality for residue 54 atoms:  CB CD1 CD2 HG
 &rst iat=805,810,814,809, &end
#
#  chirality for residue 54 atoms:  N C HA CB
 &rst iat=801,818,804,805, &end
#
#  chirality for residue 55 atoms:  CA CG2 OG1 HB
 &rst iat=822,826,830,825, &end
#
#  chirality for residue 55 atoms:  N C HA CB
 &rst iat=820,832,823,824, &end
#
#  chirality for residue 56 atoms:  CA CG HB2 HB3
 &rst iat=836,841,839,840, &end
#
#  chirality for residue 56 atoms:  N C HA CB
 &rst iat=834,844,837,838, &end
#
#  chirality for residue 57 atoms:  CA CG HB2 HB3
 &rst iat=848,853,851,852, &end
#
#  chirality for residue 57 atoms:  CB CD HG2 HG3
 &rst iat=850,856,854,855, &end
#
#  chirality for residue 57 atoms:  CD NZ HE2 HE3
 &rst iat=856,862,860,861, &end
#
#  chirality for residue 57 atoms:  CG CE HD2 HD3
 &rst iat=853,859,857,858, &end
#
#  chirality for residue 57 atoms:  N C HA CB
 &rst iat=846,866,849,850, &end
#
#  chirality for residue 58 atoms:  N C HA CB
 &rst iat=868,876,871,872, &end
#
#  chirality for residue 59 atoms:  CA CG2 CG1 HB
 &rst iat=880,884,888,883, &end
#
#  chirality for residue 59 atoms:  CB CD1 HG12 HG13
 &rst iat=882,891,889,890, &end
#
#  chirality for residue 59 atoms:  N C HA CB
 &rst iat=878,895,881,882, &end
#
#  chirality for residue 60 atoms:  CA CG1 CG2 HB
 &rst iat=899,903,907,902, &end
#
#  chirality for residue 60 atoms:  N C HA CB
 &rst iat=897,911,900,901, &end
#
#  chirality for residue 61 atoms:  CA CG HB2 HB3
 &rst iat=915,920,918,919, &end
#
#  chirality for residue 61 atoms:  CB CD HG2 HG3
 &rst iat=917,923,921,922, &end
#
#  chirality for residue 61 atoms:  CD NZ HE2 HE3
 &rst iat=923,929,927,928, &end
#
#  chirality for residue 61 atoms:  CG CE HD2 HD3
 &rst iat=920,926,924,925, &end
#
#  chirality for residue 61 atoms:  N C HA CB
 &rst iat=913,933,916,917, &end
#
#  chirality for residue 62 atoms:  CA CG HB2 HB3
 &rst iat=937,942,940,941, &end
#
#  chirality for residue 62 atoms:  CB CD HG2 HG3
 &rst iat=939,945,943,944, &end
#
#  chirality for residue 62 atoms:  CD NZ HE2 HE3
 &rst iat=945,951,949,950, &end
#
#  chirality for residue 62 atoms:  CG CE HD2 HD3
 &rst iat=942,948,946,947, &end
#
#  chirality for residue 62 atoms:  N C HA CB
 &rst iat=935,955,938,939, &end
#
#  chirality for residue 63 atoms:  CA CG HB2 HB3
 &rst iat=959,964,962,963, &end
#
#  chirality for residue 63 atoms:  CB CD HG2 HG3
 &rst iat=961,967,965,966, &end
#
#  chirality for residue 63 atoms:  N C HA CB
 &rst iat=957,970,960,961, &end
#
#  chirality for residue 64 atoms:  CA CG HB2 HB3
 &rst iat=974,979,977,978, &end
#
#  chirality for residue 64 atoms:  CB CD1 CD2 HG
 &rst iat=976,981,985,980, &end
#
#  chirality for residue 64 atoms:  N C HA CB
 &rst iat=972,989,975,976, &end
#
#  chirality for residue 65 atoms:  CA CG HB2 HB3
 &rst iat=993,998,996,997, &end
#
#  chirality for residue 65 atoms:  CB CD1 CD2 HG
 &rst iat=995,1000,1004,999, &end
#
#  chirality for residue 65 atoms:  N C HA CB
 &rst iat=991,1008,994,995, &end
#
#  chirality for residue 66 atoms:  CA CG HB2 HB3
 &rst iat=1012,1017,1015,1016, &end
#
#  chirality for residue 66 atoms:  N C HA CB
 &rst iat=1010,1029,1013,1014, &end
#
#  chirality for residue 67 atoms:  CA CG HB2 HB3
 &rst iat=1033,1038,1036,1037, &end
#
#  chirality for residue 67 atoms:  N C HA CB
 &rst iat=1031,1041,1034,1035, &end
#
#  chirality for residue 68 atoms:  CA CG1 CG2 HB
 &rst iat=1045,1049,1053,1048, &end
#
#  chirality for residue 68 atoms:  N C HA CB
 &rst iat=1043,1057,1046,1047, &end
#
#  chirality for residue 69 atoms:  N C HA CB
 &rst iat=1059,1067,1062,1063, &end
#
#  chirality for residue 70 atoms:  N C HA2 HA3
 &rst iat=1069,1074,1072,1073, &end
#
#  chirality for residue 71 atoms:  CA OG HB2 HB3
 &rst iat=1078,1083,1081,1082, &end
#
#  chirality for residue 71 atoms:  N C HA CB
 &rst iat=1076,1085,1079,1080, &end
#
#  chirality for residue 72 atoms:  CA CG HB2 HB3
 &rst iat=1089,1094,1092,1093, &end
#
#  chirality for residue 72 atoms:  N C HA CB
 &rst iat=1087,1097,1090,1091, &end
#
#  chirality for residue 73 atoms:  CA CG HB2 HB3
 &rst iat=1101,1106,1104,1105, &end
#
#  chirality for residue 73 atoms:  CB CD HG2 HG3
 &rst iat=1103,1109,1107,1108, &end
#
#  chirality for residue 73 atoms:  CD NZ HE2 HE3
 &rst iat=1109,1115,1113,1114, &end
#
#  chirality for residue 73 atoms:  CG CE HD2 HD3
 &rst iat=1106,1112,1110,1111, &end
#
#  chirality for residue 73 atoms:  N C HA CB
 &rst iat=1099,1119,1102,1103, &end
#
#  chirality for residue 74 atoms:  CA CG HB2 HB3
 &rst iat=1123,1128,1126,1127, &end
#
#  chirality for residue 74 atoms:  N C HA CB
 &rst iat=1121,1140,1124,1125, &end
#
#  chirality for residue 75 atoms:  CA CG HB2 HB3
 &rst iat=1144,1149,1147,1148, &end
#
#  chirality for residue 75 atoms:  CB CD HG2 HG3
 &rst iat=1146,1152,1150,1151, &end
#
#  chirality for residue 75 atoms:  N C HA CB
 &rst iat=1142,1157,1145,1146, &end
#
#  chirality for residue 76 atoms:  CA CG1 CG2 HB
 &rst iat=1161,1165,1169,1164, &end
#
#  chirality for residue 76 atoms:  N C HA CB
 &rst iat=1159,1173,1162,1163, &end
#
#  chirality for residue 77 atoms:  CA CG HB2 HB3
 &rst iat=1177,1182,1180,1181, &end
#
#  chirality for residue 77 atoms:  N C HA CB
 &rst iat=1175,1187,1178,1179, &end
#
#  chirality for residue 78 atoms:  CA CG HB2 HB3
 &rst iat=1191,1196,1194,1195, &end
#
#  chirality for residue 78 atoms:  N C HA CB
 &rst iat=1189,1201,1192,1193, &end
#
#  chirality for residue 79 atoms:  CA CG HB2 HB3
 &rst iat=1205,1210,1208,1209, &end
#
#  chirality for residue 79 atoms:  CB CD HG2 HG3
 &rst iat=1207,1213,1211,1212, &end
#
#  chirality for residue 79 atoms:  CD NZ HE2 HE3
 &rst iat=1213,1219,1217,1218, &end
#
#  chirality for residue 79 atoms:  CG CE HD2 HD3
 &rst iat=1210,1216,1214,1215, &end
#
#  chirality for residue 79 atoms:  N C HA CB
 &rst iat=1203,1223,1206,1207, &end
#
#  chirality for residue 80 atoms:  CA CG HB2 HB3
 &rst iat=1227,1232,1230,1231, &end
#
#  chirality for residue 80 atoms:  N C HA CB
 &rst iat=1225,1240,1228,1229, &end
#
#  chirality for residue 81 atoms:  CA CG HB2 HB3
 &rst iat=1244,1249,1247,1248, &end
#
#  chirality for residue 81 atoms:  N C HA CB
 &rst iat=1242,1252,1245,1246, &end
#
#  chirality for residue 82 atoms:  CA CG HB2 HB3
 &rst iat=1256,1261,1259,1260, &end
#
#  chirality for residue 82 atoms:  N C HA CB
 &rst iat=1254,1264,1257,1258, &end
#
#  chirality for residue 83 atoms:  CA CG HB2 HB3
 &rst iat=1268,1273,1271,1272, &end
#
#  chirality for residue 83 atoms:  CB CD HG2 HG3
 &rst iat=1270,1276,1274,1275, &end
#
#  chirality for residue 83 atoms:  CD NZ HE2 HE3
 &rst iat=1276,1282,1280,1281, &end
#
#  chirality for residue 83 atoms:  CG CE HD2 HD3
 &rst iat=1273,1279,1277,1278, &end
#
#  chirality for residue 83 atoms:  N C HA CB
 &rst iat=1266,1286,1269,1270, &end
#
#  chirality for residue 84 atoms:  CA CG HB2 HB3
 &rst iat=1290,1295,1293,1294, &end
#
#  chirality for residue 84 atoms:  N C HA CB
 &rst iat=1288,1307,1291,1292, &end
#
#  chirality for residue 85 atoms:  CA OG HB2 HB3
 &rst iat=1311,1316,1314,1315, &end
#
#  chirality for residue 85 atoms:  N C HA CB
 &rst iat=1309,1318,1312,1313, &end
#
#  chirality for residue 86 atoms:  CA CG HB2 HB3
 &rst iat=1330,1324,1328,1329, &end
#
#  chirality for residue 86 atoms:  CB CD HG2 HG3
 &rst iat=1327,1321,1325,1326, &end
#
#  chirality for residue 86 atoms:  CG N HD2 HD3
 &rst iat=1324,1320,1322,1323, &end
#
#  chirality for residue 86 atoms:  N C HA CB
 &rst iat=1320,1332,1331,1327, &end
#
#  chirality for residue 87 atoms:  CA CG HB2 HB3
 &rst iat=1336,1341,1339,1340, &end
#
#  chirality for residue 87 atoms:  CB CD1 CD2 HG
 &rst iat=1338,1343,1347,1342, &end
#
#  chirality for residue 87 atoms:  N C HA CB
 &rst iat=1334,1351,1337,1338, &end
#
#  chirality for residue 88 atoms:  CA CG HB2 HB3
 &rst iat=1363,1357,1361,1362, &end
#
#  chirality for residue 88 atoms:  CB CD HG2 HG3
 &rst iat=1360,1354,1358,1359, &end
#
#  chirality for residue 88 atoms:  CG N HD2 HD3
 &rst iat=1357,1353,1355,1356, &end
#
#  chirality for residue 88 atoms:  N C HA CB
 &rst iat=1353,1365,1364,1360, &end
#
#  chirality for residue 89 atoms:  CA SG HB2 HB3
 &rst iat=1369,1374,1372,1373, &end
#
#  chirality for residue 89 atoms:  N C HA CB
 &rst iat=1367,1376,1370,1371, &end
#
#  chirality for residue 90 atoms:  CA OG HB2 HB3
 &rst iat=1380,1385,1383,1384, &end
#
#  chirality for residue 90 atoms:  N C HA CB
 &rst iat=1378,1387,1381,1382, &end
#
#  chirality for residue 91 atoms:  CA CG HB2 HB3
 &rst iat=1391,1396,1394,1395, &end
#
#  chirality for residue 91 atoms:  CB CD HG2 HG3
 &rst iat=1393,1399,1397,1398, &end
#
#  chirality for residue 91 atoms:  CD NZ HE2 HE3
 &rst iat=1399,1405,1403,1404, &end
#
#  chirality for residue 91 atoms:  CG CE HD2 HD3
 &rst iat=1396,1402,1400,1401, &end
#
#  chirality for residue 91 atoms:  N C HA CB
 &rst iat=1389,1409,1392,1393, &end
#
#  chirality for residue 92 atoms:  CA CG2 CG1 HB
 &rst iat=1413,1417,1421,1416, &end
#
#  chirality for residue 92 atoms:  CB CD1 HG12 HG13
 &rst iat=1415,1424,1422,1423, &end
#
#  chirality for residue 92 atoms:  N C HA CB
 &rst iat=1411,1428,1414,1415, &end
#
#  chirality for residue 93 atoms:  CA CG2 CG1 HB
 &rst iat=1432,1436,1440,1435, &end
#
#  chirality for residue 93 atoms:  CB CD1 HG12 HG13
 &rst iat=1434,1443,1441,1442, &end
#
#  chirality for residue 93 atoms:  N C HA CB
 &rst iat=1430,1447,1433,1434, &end
#
#  chirality for residue 94 atoms:  CA CG HB2 HB3
 &rst iat=1451,1456,1454,1455, &end
#
#  chirality for residue 94 atoms:  CB CD HG2 HG3
 &rst iat=1453,1459,1457,1458, &end
#
#  chirality for residue 94 atoms:  N C HA CB
 &rst iat=1449,1464,1452,1453, &end
#
#  chirality for residue 95 atoms:  CA CG HB2 HB3
 &rst iat=1468,1473,1471,1472, &end
#
#  chirality for residue 95 atoms:  CB CD HG2 HG3
 &rst iat=1470,1476,1474,1475, &end
#
#  chirality for residue 95 atoms:  CG NE HD2 HD3
 &rst iat=1473,1479,1477,1478, &end
#
#  chirality for residue 95 atoms:  N C HA CB
 &rst iat=1466,1488,1469,1470, &end
#
#  chirality for residue 96 atoms:  N C HA CB
 &rst iat=1490,1498,1493,1494, &end
#
#  chirality for residue 97 atoms:  CA CG HB2 HB3
 &rst iat=1502,1507,1505,1506, &end
#
#  chirality for residue 97 atoms:  CB CD HG2 HG3
 &rst iat=1504,1510,1508,1509, &end
#
#  chirality for residue 97 atoms:  N C HA CB
 &rst iat=1500,1513,1503,1504, &end
#
#  chirality for residue 98 atoms:  CA CG HB2 HB3
 &rst iat=1517,1522,1520,1521, &end
#
#  chirality for residue 98 atoms:  CB CD HG2 HG3
 &rst iat=1519,1525,1523,1524, &end
#
#  chirality for residue 98 atoms:  N C HA CB
 &rst iat=1515,1528,1518,1519, &end
#
#  chirality for residue 99 atoms:  CA CG HB2 HB3
 &rst iat=1532,1537,1535,1536, &end
#
#  chirality for residue 99 atoms:  CB CD1 CD2 HG
 &rst iat=1534,1539,1543,1538, &end
#
#  chirality for residue 99 atoms:  N C HA CB
 &rst iat=1530,1547,1533,1534, &end
#
#  chirality for residue 100 atoms:  CA CG1 CG2 HB
 &rst iat=1551,1555,1559,1554, &end
#
#  chirality for residue 100 atoms:  N C HA CB
 &rst iat=1549,1563,1552,1553, &end
#
#  chirality for residue 101 atoms:  N C HA2 HA3
 &rst iat=1565,1570,1568,1569, &end
#
#  chirality for residue 102 atoms:  CA CG HB2 HB3
 &rst iat=1574,1579,1577,1578, &end
#
#  chirality for residue 102 atoms:  CB CD HG2 HG3
 &rst iat=1576,1582,1580,1581, &end
#
#  chirality for residue 102 atoms:  N C HA CB
 &rst iat=1572,1587,1575,1576, &end
#
#  chirality for residue 103 atoms:  CA CG HB2 HB3
 &rst iat=1591,1596,1594,1595, &end
#
#  chirality for residue 103 atoms:  CB CD HG2 HG3
 &rst iat=1593,1599,1597,1598, &end
#
#  chirality for residue 103 atoms:  N C HA CB
 &rst iat=1589,1602,1592,1593, &end
#
#  chirality for residue 104 atoms:  CA CG1 CG2 HB
 &rst iat=1606,1610,1614,1609, &end
#
#  chirality for residue 104 atoms:  N C HA CB
 &rst iat=1604,1618,1607,1608, &end
#
#  chirality for residue 105 atoms:  CA CG HB2 HB3
 &rst iat=1622,1627,1625,1626, &end
#
#  chirality for residue 105 atoms:  CB CD1 CD2 HG
 &rst iat=1624,1629,1633,1628, &end
#
#  chirality for residue 105 atoms:  N C HA CB
 &rst iat=1620,1637,1623,1624, &end
#
#  chirality for residue 106 atoms:  CA CG HB2 HB3
 &rst iat=1641,1646,1644,1645, &end
#
#  chirality for residue 106 atoms:  N C HA CB
 &rst iat=1639,1658,1642,1643, &end
#
#  chirality for residue 107 atoms:  CA CG HB2 HB3
 &rst iat=1662,1667,1665,1666, &end
#
#  chirality for residue 107 atoms:  CB CD HG2 HG3
 &rst iat=1664,1670,1668,1669, &end
#
#  chirality for residue 107 atoms:  CD NZ HE2 HE3
 &rst iat=1670,1676,1674,1675, &end
#
#  chirality for residue 107 atoms:  CG CE HD2 HD3
 &rst iat=1667,1673,1671,1672, &end
#
#  chirality for residue 107 atoms:  N C HA CB
 &rst iat=1660,1680,1663,1664, &end
#
#  chirality for residue 108 atoms:  CA CG HB2 HB3
 &rst iat=1684,1689,1687,1688, &end
#
#  chirality for residue 108 atoms:  CB CD1 CD2 HG
 &rst iat=1686,1691,1695,1690, &end
#
#  chirality for residue 108 atoms:  N C HA CB
 &rst iat=1682,1699,1685,1686, &end
#
#  chirality for residue 109 atoms:  CA CG2 OG1 HB
 &rst iat=1703,1707,1711,1706, &end
#
#  chirality for residue 109 atoms:  N C HA CB
 &rst iat=1701,1713,1704,1705, &end
#
#  chirality for residue 110 atoms:  CA OG HB2 HB3
 &rst iat=1717,1722,1720,1721, &end
#
#  chirality for residue 110 atoms:  N C HA CB
 &rst iat=1715,1724,1718,1719, &end
#
#  chirality for residue 111 atoms:  CA CG HB2 HB3
 &rst iat=1728,1733,1731,1732, &end
#
#  chirality for residue 111 atoms:  CB CD HG2 HG3
 &rst iat=1730,1736,1734,1735, &end
#
#  chirality for residue 111 atoms:  N C HA CB
 &rst iat=1726,1739,1729,1730, &end
#
#  chirality for residue 112 atoms:  CA CG HB2 HB3
 &rst iat=1743,1748,1746,1747, &end
#
#  chirality for residue 112 atoms:  N C HA CB
 &rst iat=1741,1753,1744,1745, &end
#
#  chirality for residue 113 atoms:  CA SG HB2 HB3
 &rst iat=1757,1762,1760,1761, &end
#
#  chirality for residue 113 atoms:  N C HA CB
 &rst iat=1755,1764,1758,1759, &end
#
#  chirality for residue 114 atoms:  CA CG HB2 HB3
 &rst iat=1768,1773,1771,1772, &end
#
#  chirality for residue 114 atoms:  CB CD HG2 HG3
 &rst iat=1770,1776,1774,1775, &end
#
#  chirality for residue 114 atoms:  N C HA CB
 &rst iat=1766,1779,1769,1770, &end
#
#  chirality for residue 115 atoms:  CA CG HB2 HB3
 &rst iat=1783,1788,1786,1787, &end
#
#  chirality for residue 115 atoms:  N C HA CB
 &rst iat=1781,1796,1784,1785, &end
#
#  chirality for residue 116 atoms:  CA CG HB2 HB3
 &rst iat=1800,1805,1803,1804, &end
#
#  chirality for residue 116 atoms:  N C HA CB
 &rst iat=1798,1816,1801,1802, &end
#
#  chirality for residue 117 atoms:  CA CG1 CG2 HB
 &rst iat=1820,1824,1828,1823, &end
#
#  chirality for residue 117 atoms:  N C HA CB
 &rst iat=1818,1832,1821,1822, &end
#
#  chirality for residue 118 atoms:  CA CG HB2 HB3
 &rst iat=1836,1841,1839,1840, &end
#
#  chirality for residue 118 atoms:  N C HA CB
 &rst iat=1834,1846,1837,1838, &end
#
#  chirality for residue 119 atoms:  CA CG HB2 HB3
 &rst iat=1850,1855,1853,1854, &end
#
#  chirality for residue 119 atoms:  CB CD HG2 HG3
 &rst iat=1852,1858,1856,1857, &end
#
#  chirality for residue 119 atoms:  N C HA CB
 &rst iat=1848,1861,1851,1852, &end
#
#  chirality for residue 120 atoms:  CA CG HB2 HB3
 &rst iat=1865,1870,1868,1869, &end
#
#  chirality for residue 120 atoms:  CB CD1 CD2 HG
 &rst iat=1867,1872,1876,1871, &end
#
#  chirality for residue 120 atoms:  N C HA CB
 &rst iat=1863,1880,1866,1867, &end
#
#  chirality for residue 121 atoms:  CA CG HB2 HB3
 &rst iat=1884,1889,1887,1888, &end
#
#  chirality for residue 121 atoms:  CB CD HG2 HG3
 &rst iat=1886,1892,1890,1891, &end
#
#  chirality for residue 121 atoms:  CG NE HD2 HD3
 &rst iat=1889,1895,1893,1894, &end
#
#  chirality for residue 121 atoms:  N C HA CB
 &rst iat=1882,1904,1885,1886, &end
#
#  chirality for residue 122 atoms:  CA CG HB2 HB3
 &rst iat=1908,1913,1911,1912, &end
#
#  chirality for residue 122 atoms:  N C HA CB
 &rst iat=1906,1925,1909,1910, &end
#
#  chirality for residue 123 atoms:  N C HA2 HA3
 &rst iat=1927,1932,1930,1931, &end
#
#  chirality for residue 124 atoms:  CA CG1 CG2 HB
 &rst iat=1936,1940,1944,1939, &end
#
#  chirality for residue 124 atoms:  N C HA CB
 &rst iat=1934,1948,1937,1938, &end
#
#  chirality for residue 125 atoms:  N C HA CB
 &rst iat=1950,1958,1953,1954, &end
#
#  trans-omega constraint for residue 2
 &rst iat=22,20,18,5, 
   r1=150., r2=170., r3=190., r4=210., rk2 = 50., rk3=50.,  &end
#
#  trans-omega constraint for residue 3
 &rst iat=46,44,42,22, &end
#
#  trans-omega constraint for residue 4
 &rst iat=64,54,52,46, &end
#
#  trans-omega constraint for residue 5
 &rst iat=70,68,66,64, &end
#
#  trans-omega constraint for residue 6
 &rst iat=97,87,85,70, &end
#
#  trans-omega constraint for residue 7
 &rst iat=103,101,99,97, &end
#
#  trans-omega constraint for residue 8
 &rst iat=126,116,114,103, &end
#
#  trans-omega constraint for residue 9
 &rst iat=132,130,128,126, &end
#
#  trans-omega constraint for residue 10
 &rst iat=162,152,150,132, &end
#
#  trans-omega constraint for residue 11
 &rst iat=168,166,164,162, &end
#
#  trans-omega constraint for residue 12
 &rst iat=175,173,171,168, &end
#
#  trans-omega constraint for residue 13
 &rst iat=187,185,183,175, &end
#
#  trans-omega constraint for residue 14
 &rst iat=206,204,202,187, &end
#
#  trans-omega constraint for residue 15
 &rst iat=225,223,221,206, &end
#
#  trans-omega constraint for residue 16
 &rst iat=240,238,236,225, &end
#
#  trans-omega constraint for residue 17
 &rst iat=259,257,255,240, &end
#
#  trans-omega constraint for residue 18
 &rst iat=279,277,275,259, &end
#
#  trans-omega constraint for residue 19
 &rst iat=311,301,299,279, &end
#
#  trans-omega constraint for residue 20
 &rst iat=317,315,313,311, &end
#
#  trans-omega constraint for residue 21
 &rst iat=337,335,333,317, &end
#
#  trans-omega constraint for residue 22
 &rst iat=358,356,354,337, &end
#
#  trans-omega constraint for residue 23
 &rst iat=382,380,378,358, &end
#
#  trans-omega constraint for residue 24
 &rst iat=399,397,395,382, &end
#
#  trans-omega constraint for residue 25
 &rst iat=423,421,419,399, &end
#
#  trans-omega constraint for residue 26
 &rst iat=433,431,429,423, &end
#
#  trans-omega constraint for residue 27
 &rst iat=452,450,448,433, &end
#
#  trans-omega constraint for residue 28
 &rst iat=473,471,469,452, &end
#
#  trans-omega constraint for residue 29
 &rst iat=489,487,485,473, &end
#
#  trans-omega constraint for residue 30
 &rst iat=496,494,492,489, &end
#
#  trans-omega constraint for residue 31
 &rst iat=508,506,504,496, &end
#
#  trans-omega constraint for residue 32
 &rst iat=515,513,511,508, &end
#
#  trans-omega constraint for residue 33
 &rst iat=536,534,532,515, &end
#
#  trans-omega constraint for residue 34
 &rst iat=552,550,548,536, &end
#
#  trans-omega constraint for residue 35
 &rst iat=568,566,564,552, &end
#
#  trans-omega constraint for residue 36
 &rst iat=585,583,581,568, &end
#
#  trans-omega constraint for residue 37
 &rst iat=604,602,600,585, &end
#
#  trans-omega constraint for residue 38
 &rst iat=622,612,610,604, &end
#
#  trans-omega constraint for residue 39
 &rst iat=636,626,624,622, &end
#
#  trans-omega constraint for residue 40
 &rst iat=642,640,638,636, &end
#
#  trans-omega constraint for residue 41
 &rst iat=653,651,649,642, &end
#
#  trans-omega constraint for residue 42
 &rst iat=668,666,664,653, &end
#
#  trans-omega constraint for residue 43
 &rst iat=684,682,680,668, &end
#
#  trans-omega constraint for residue 44
 &rst iat=694,692,690,684, &end
#
#  trans-omega constraint for residue 45
 &rst iat=701,699,697,694, &end
#
#  trans-omega constraint for residue 46
 &rst iat=711,709,707,701, &end
#
#  trans-omega constraint for residue 47
 &rst iat=718,716,714,711, &end
#
#  trans-omega constraint for residue 48
 &rst iat=728,726,724,718, &end
#
#  trans-omega constraint for residue 49
 &rst iat=738,736,734,728, &end
#
#  trans-omega constraint for residue 50
 &rst iat=749,747,745,738, &end
#
#  trans-omega constraint for residue 51
 &rst iat=765,763,761,749, &end
#
#  trans-omega constraint for residue 52
 &rst iat=782,780,778,765, &end
#
#  trans-omega constraint for residue 53
 &rst iat=793,791,789,782, &end
#
#  trans-omega constraint for residue 54
 &rst iat=803,801,799,793, &end
#
#  trans-omega constraint for residue 55
 &rst iat=822,820,818,803, &end
#
#  trans-omega constraint for residue 56
 &rst iat=836,834,832,822, &end
#
#  trans-omega constraint for residue 57
 &rst iat=848,846,844,836, &end
#
#  trans-omega constraint for residue 58
 &rst iat=870,868,866,848, &end
#
#  trans-omega constraint for residue 59
 &rst iat=880,878,876,870, &end
#
#  trans-omega constraint for residue 60
 &rst iat=899,897,895,880, &end
#
#  trans-omega constraint for residue 61
 &rst iat=915,913,911,899, &end
#
#  trans-omega constraint for residue 62
 &rst iat=937,935,933,915, &end
#
#  trans-omega constraint for residue 63
 &rst iat=959,957,955,937, &end
#
#  trans-omega constraint for residue 64
 &rst iat=974,972,970,959, &end
#
#  trans-omega constraint for residue 65
 &rst iat=993,991,989,974, &end
#
#  trans-omega constraint for residue 66
 &rst iat=1012,1010,1008,993, &end
#
#  trans-omega constraint for residue 67
 &rst iat=1033,1031,1029,1012, &end
#
#  trans-omega constraint for residue 68
 &rst iat=1045,1043,1041,1033, &end
#
#  trans-omega constraint for residue 69
 &rst iat=1061,1059,1057,1045, &end
#
#  trans-omega constraint for residue 70
 &rst iat=1071,1069,1067,1061, &end
#
#  trans-omega constraint for residue 71
 &rst iat=1078,1076,1074,1071, &end
#
#  trans-omega constraint for residue 72
 &rst iat=1089,1087,1085,1078, &end
#
#  trans-omega constraint for residue 73
 &rst iat=1101,1099,1097,1089, &end
#
#  trans-omega constraint for residue 74
 &rst iat=1123,1121,1119,1101, &end
#
#  trans-omega constraint for residue 75
 &rst iat=1144,1142,1140,1123, &end
#
#  trans-omega constraint for residue 76
 &rst iat=1161,1159,1157,1144, &end
#
#  trans-omega constraint for residue 77
 &rst iat=1177,1175,1173,1161, &end
#
#  trans-omega constraint for residue 78
 &rst iat=1191,1189,1187,1177, &end
#
#  trans-omega constraint for residue 79
 &rst iat=1205,1203,1201,1191, &end
#
#  trans-omega constraint for residue 80
 &rst iat=1227,1225,1223,1205, &end
#
#  trans-omega constraint for residue 81
 &rst iat=1244,1242,1240,1227, &end
#
#  trans-omega constraint for residue 82
 &rst iat=1256,1254,1252,1244, &end
#
#  trans-omega constraint for residue 83
 &rst iat=1268,1266,1264,1256, &end
#
#  trans-omega constraint for residue 84
 &rst iat=1290,1288,1286,1268, &end
#
#  trans-omega constraint for residue 85
 &rst iat=1311,1309,1307,1290, &end
#
#  trans-omega constraint for residue 86
 &rst iat=1330,1320,1318,1311, &end
#
#  trans-omega constraint for residue 87
 &rst iat=1336,1334,1332,1330, &end
#
#  trans-omega constraint for residue 88
 &rst iat=1363,1353,1351,1336, &end
#
#  trans-omega constraint for residue 89
 &rst iat=1369,1367,1365,1363, &end
#
#  trans-omega constraint for residue 90
 &rst iat=1380,1378,1376,1369, &end
#
#  trans-omega constraint for residue 91
 &rst iat=1391,1389,1387,1380, &end
#
#  trans-omega constraint for residue 92
 &rst iat=1413,1411,1409,1391, &end
#
#  trans-omega constraint for residue 93
 &rst iat=1432,1430,1428,1413, &end
#
#  trans-omega constraint for residue 94
 &rst iat=1451,1449,1447,1432, &end
#
#  trans-omega constraint for residue 95
 &rst iat=1468,1466,1464,1451, &end
#
#  trans-omega constraint for residue 96
 &rst iat=1492,1490,1488,1468, &end
#
#  trans-omega constraint for residue 97
 &rst iat=1502,1500,1498,1492, &end
#
#  trans-omega constraint for residue 98
 &rst iat=1517,1515,1513,1502, &end
#
#  trans-omega constraint for residue 99
 &rst iat=1532,1530,1528,1517, &end
#
#  trans-omega constraint for residue 100
 &rst iat=1551,1549,1547,1532, &end
#
#  trans-omega constraint for residue 101
 &rst iat=1567,1565,1563,1551, &end
#
#  trans-omega constraint for residue 102
 &rst iat=1574,1572,1570,1567, &end
#
#  trans-omega constraint for residue 103
 &rst iat=1591,1589,1587,1574, &end
#
#  trans-omega constraint for residue 104
 &rst iat=1606,1604,1602,1591, &end
#
#  trans-omega constraint for residue 105
 &rst iat=1622,1620,1618,1606, &end
#
#  trans-omega constraint for residue 106
 &rst iat=1641,1639,1637,1622, &end
#
#  trans-omega constraint for residue 107
 &rst iat=1662,1660,1658,1641, &end
#
#  trans-omega constraint for residue 108
 &rst iat=1684,1682,1680,1662, &end
#
#  trans-omega constraint for residue 109
 &rst iat=1703,1701,1699,1684, &end
#
#  trans-omega constraint for residue 110
 &rst iat=1717,1715,1713,1703, &end
#
#  trans-omega constraint for residue 111
 &rst iat=1728,1726,1724,1717, &end
#
#  trans-omega constraint for residue 112
 &rst iat=1743,1741,1739,1728, &end
#
#  trans-omega constraint for residue 113
 &rst iat=1757,1755,1753,1743, &end
#
#  trans-omega constraint for residue 114
 &rst iat=1768,1766,1764,1757, &end
#
#  trans-omega constraint for residue 115
 &rst iat=1783,1781,1779,1768, &end
#
#  trans-omega constraint for residue 116
 &rst iat=1800,1798,1796,1783, &end
#
#  trans-omega constraint for residue 117
 &rst iat=1820,1818,1816,1800, &end
#
#  trans-omega constraint for residue 118
 &rst iat=1836,1834,1832,1820, &end
#
#  trans-omega constraint for residue 119
 &rst iat=1850,1848,1846,1836, &end
#
#  trans-omega constraint for residue 120
 &rst iat=1865,1863,1861,1850, &end
#
#  trans-omega constraint for residue 121
 &rst iat=1884,1882,1880,1865, &end
#
#  trans-omega constraint for residue 122
 &rst iat=1908,1906,1904,1884, &end
#
#  trans-omega constraint for residue 123
 &rst iat=1929,1927,1925,1908, &end
#
#  trans-omega constraint for residue 124
 &rst iat=1936,1934,1932,1929, &end
#
#  trans-omega constraint for residue 125
 &rst iat=1952,1950,1948,1936, &end

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1  19.522   0.444  -0.866
    2    H2   MET   1           H2       MET   1  21.040   0.607  -1.477
    3    H3   MET   1           H3       MET   1  20.381  -0.879  -1.287
    4    HA   MET   1           HA       MET   1  21.983  -0.495   0.442
    5    HB2  MET   1           HB2      MET   1  20.179   1.874   1.126
    6    HB3  MET   1           HB3      MET   1  21.395   1.197   2.210
    7    HG2  MET   1           HG2      MET   1  23.170   1.687   0.557
    8    HG3  MET   1           HG3      MET   1  21.967   2.422  -0.513
    9    HE1  MET   1           HE1      MET   1  24.052   5.502   0.713
   10    HE2  MET   1           HE2      MET   1  24.654   3.862   0.384
   11    HE3  MET   1           HE3      MET   1  23.445   4.599  -0.693
   12    H    ARG   2           H        ARG   2  21.696  -1.949   2.100
   13    HA   ARG   2           HA       ARG   2  19.129  -3.194   2.536
   14    HB2  ARG   2           HB2      ARG   2  21.831  -3.287   3.939
   15    HB3  ARG   2           HB3      ARG   2  20.448  -4.098   4.636
   16    HG2  ARG   2           HG2      ARG   2  21.504  -4.645   1.824
   17    HG3  ARG   2           HG3      ARG   2  21.937  -5.572   3.256
   18    HD2  ARG   2           HD2      ARG   2  19.157  -5.365   2.029
   19    HD3  ARG   2           HD3      ARG   2  20.237  -6.749   1.972
   20    HE   ARG   2           HE       ARG   2  20.023  -7.046   4.357
   21   HH11  ARG   2          HH21      ARG   2  17.392  -5.189   2.845
   22   HH12  ARG   2          HH22      ARG   2  16.559  -4.920   4.353
   23   HH21  ARG   2          HH11      ARG   2  18.762  -6.884   6.276
   24   HH22  ARG   2          HH12      ARG   2  17.261  -6.033   6.259
   25    H    ALA   3           H        ALA   3  17.808  -3.115   4.388
   26    HA   ALA   3           HA       ALA   3  18.131  -1.093   6.442
   27    HB1  ALA   3           HB1      ALA   3  15.936  -0.001   5.879
   28    HB2  ALA   3           HB2      ALA   3  17.136   0.259   4.602
   29    HB3  ALA   3           HB3      ALA   3  15.854  -0.956   4.390
   30    HA   PRO   4           HA       PRO   4  15.524  -4.285   8.335
   31    HB2  PRO   4           HB2      PRO   4  14.312  -2.955  10.394
   32    HB3  PRO   4           HB3      PRO   4  16.062  -3.323  10.388
   33    HG2  PRO   4           HG2      PRO   4  14.701  -0.736   9.576
   34    HG3  PRO   4           HG3      PRO   4  16.088  -0.952  10.690
   35    HD2  PRO   4           HD2      PRO   4  16.431  -0.302   8.061
   36    HD3  PRO   4           HD3      PRO   4  17.577  -1.380   8.909
   37    H    ILE   5           H        ILE   5  13.128  -4.578   8.969
   38    HA   ILE   5           HA       ILE   5  11.269  -2.873   7.411
   39    HB   ILE   5           HB       ILE   5   9.932  -4.903   6.904
   40   HG12  ILE   5          HG12      ILE   5  12.528  -6.434   7.415
   41   HG13  ILE   5          HG13      ILE   5  11.082  -6.561   8.408
   42   HG21  ILE   5          HG21      ILE   5  12.645  -4.726   5.541
   43   HG22  ILE   5          HG22      ILE   5  11.109  -5.258   4.827
   44   HG23  ILE   5          HG23      ILE   5  11.313  -3.578   5.297
   45   HD11  ILE   5          HD11      ILE   5  11.325  -7.398   5.493
   46   HD12  ILE   5          HD12      ILE   5  11.174  -8.441   6.906
   47   HD13  ILE   5          HD13      ILE   5   9.810  -7.408   6.433
   48    HA   PRO   6           HA       PRO   6  10.498  -3.140  11.901
   49    HB2  PRO   6           HB2      PRO   6  10.308  -0.508  12.516
   50    HB3  PRO   6           HB3      PRO   6  11.881  -1.254  12.086
   51    HG2  PRO   6           HG2      PRO   6  10.019   0.314  10.270
   52    HG3  PRO   6           HG3      PRO   6  11.783   0.530  10.504
   53    HD2  PRO   6           HD2      PRO   6  10.709  -0.992   8.455
   54    HD3  PRO   6           HD3      PRO   6  12.285  -1.359   9.223
   55    H    GLU   7           H        GLU   7   8.547  -1.571   9.424
   56    HA   GLU   7           HA       GLU   7   6.234  -1.103  11.057
   57    HB2  GLU   7           HB2      GLU   7   6.597  -1.174   8.046
   58    HB3  GLU   7           HB3      GLU   7   5.067  -0.807   8.854
   59    HG2  GLU   7           HG2      GLU   7   6.172   1.080  10.054
   60    HG3  GLU   7           HG3      GLU   7   7.673   0.742   9.188
   61    HA   PRO   8           HA       PRO   8   4.420  -5.115   9.142
   62    HB2  PRO   8           HB2      PRO   8   6.244  -7.089   8.322
   63    HB3  PRO   8           HB3      PRO   8   5.358  -5.964   7.263
   64    HG2  PRO   8           HG2      PRO   8   8.163  -5.687   8.386
   65    HG3  PRO   8           HG3      PRO   8   7.614  -5.371   6.711
   66    HD2  PRO   8           HD2      PRO   8   7.978  -3.358   8.429
   67    HD3  PRO   8           HD3      PRO   8   6.548  -3.346   7.367
   68    H    LYS   9           H        LYS   9   4.044  -7.165  10.150
   69    HA   LYS   9           HA       LYS   9   5.871  -7.950  12.357
   70    HB2  LYS   9           HB2      LYS   9   2.829  -7.673  12.484
   71    HB3  LYS   9           HB3      LYS   9   3.815  -8.405  13.749
   72    HG2  LYS   9           HG2      LYS   9   3.991  -5.500  12.847
   73    HG3  LYS   9           HG3      LYS   9   3.093  -6.060  14.245
   74    HD2  LYS   9           HD2      LYS   9   5.004  -6.619  15.482
   75    HD3  LYS   9           HD3      LYS   9   6.059  -6.696  14.079
   76    HE2  LYS   9           HE2      LYS   9   4.848  -4.129  15.191
   77    HE3  LYS   9           HE3      LYS   9   6.494  -4.715  15.468
   78    HZ1  LYS   9           HZ1      LYS   9   6.708  -3.250  13.666
   79    HZ2  LYS   9           HZ2      LYS   9   6.677  -4.708  12.937
   80    HZ3  LYS   9           HZ3      LYS   9   5.354  -3.775  12.909
   81    HA   PRO  10           HA       PRO  10   5.289 -12.031  10.568
   82    HB2  PRO  10           HB2      PRO  10   5.032 -12.764  13.501
   83    HB3  PRO  10           HB3      PRO  10   5.880 -13.657  12.194
   84    HG2  PRO  10           HG2      PRO  10   7.298 -12.095  13.874
   85    HG3  PRO  10           HG3      PRO  10   7.606 -11.957  12.110
   86    HD2  PRO  10           HD2      PRO  10   5.904 -10.161  13.860
   87    HD3  PRO  10           HD3      PRO  10   7.101  -9.720  12.601
   88    H    GLY  11           H        GLY  11   3.466 -13.068   9.852
   89    HA2  GLY  11           HA2      GLY  11   1.194 -13.764   9.951
   90    HA3  GLY  11           HA3      GLY  11   0.833 -12.480  11.113
   91    H    ASP  12           H        ASP  12   2.790 -10.816   9.003
   92    HA   ASP  12           HA       ASP  12   0.455  -9.787   7.532
   93    HB2  ASP  12           HB2      ASP  12   3.329  -8.853   7.782
   94    HB3  ASP  12           HB3      ASP  12   2.170  -8.134   6.668
   95    H    LEU  13           H        LEU  13   0.319  -9.544   5.311
   96    HA   LEU  13           HA       LEU  13   1.432 -11.760   3.718
   97    HB2  LEU  13           HB2      LEU  13  -0.346  -9.387   3.013
   98    HB3  LEU  13           HB3      LEU  13   0.276 -10.520   1.836
   99    HG   LEU  13           HG       LEU  13  -2.000 -10.851   3.750
  100   HD11  LEU  13          HD11      LEU  13  -2.334 -10.296   1.386
  101   HD12  LEU  13          HD12      LEU  13  -1.509 -11.789   0.912
  102   HD13  LEU  13          HD13      LEU  13  -3.037 -11.866   1.822
  103   HD21  LEU  13          HD21      LEU  13  -0.624 -12.742   4.458
  104   HD22  LEU  13          HD22      LEU  13  -1.917 -13.344   3.412
  105   HD23  LEU  13          HD23      LEU  13  -0.268 -13.149   2.764
  106    H    ILE  14           H        ILE  14   2.992 -11.548   2.228
  107    HA   ILE  14           HA       ILE  14   4.261  -8.900   1.754
  108    HB   ILE  14           HB       ILE  14   5.517 -11.671   1.851
  109   HG12  ILE  14          HG12      ILE  14   5.080 -10.934   4.115
  110   HG13  ILE  14          HG13      ILE  14   6.798 -10.991   3.780
  111   HG21  ILE  14          HG21      ILE  14   6.802  -8.983   1.232
  112   HG22  ILE  14          HG22      ILE  14   7.707 -10.473   1.585
  113   HG23  ILE  14          HG23      ILE  14   6.668 -10.386   0.164
  114   HD11  ILE  14          HD11      ILE  14   6.216  -9.019   5.125
  115   HD12  ILE  14          HD12      ILE  14   6.869  -8.521   3.557
  116   HD13  ILE  14          HD13      ILE  14   5.118  -8.449   3.860
  117    H    GLU  15           H        GLU  15   4.745  -8.543  -0.417
  118    HA   GLU  15           HA       GLU  15   3.974 -10.631  -2.371
  119    HB2  GLU  15           HB2      GLU  15   3.261  -8.983  -3.957
  120    HB3  GLU  15           HB3      GLU  15   2.267  -8.863  -2.501
  121    HG2  GLU  15           HG2      GLU  15   3.461  -6.890  -1.758
  122    HG3  GLU  15           HG3      GLU  15   4.654  -7.074  -3.065
  123    H    ILE  16           H        ILE  16   5.324 -10.563  -4.165
  124    HA   ILE  16           HA       ILE  16   8.110  -9.631  -3.678
  125    HB   ILE  16           HB       ILE  16   6.988 -12.300  -4.600
  126   HG12  ILE  16          HG12      ILE  16   6.672 -12.135  -2.203
  127   HG13  ILE  16          HG13      ILE  16   7.825 -13.375  -2.636
  128   HG21  ILE  16          HG21      ILE  16   9.341 -13.126  -4.581
  129   HG22  ILE  16          HG22      ILE  16   9.062 -11.863  -5.774
  130   HG23  ILE  16          HG23      ILE  16   9.897 -11.464  -4.266
  131   HD11  ILE  16          HD11      ILE  16   8.497 -10.618  -1.556
  132   HD12  ILE  16          HD12      ILE  16   8.587 -12.156  -0.674
  133   HD13  ILE  16          HD13      ILE  16   9.698 -11.841  -2.020
  134    H    PHE  17           H        PHE  17   8.339  -8.160  -5.363
  135    HA   PHE  17           HA       PHE  17   6.863  -8.593  -7.894
  136    HB2  PHE  17           HB2      PHE  17   8.287  -6.329  -6.710
  137    HB3  PHE  17           HB3      PHE  17   8.799  -6.638  -8.369
  138    HD1  PHE  17           HD2      PHE  17   7.190  -6.586 -10.247
  139    HD2  PHE  17           HD1      PHE  17   5.943  -5.656  -6.213
  140    HE1  PHE  17           HE2      PHE  17   5.075  -5.628 -11.115
  141    HE2  PHE  17           HE1      PHE  17   3.837  -4.699  -7.095
  142    HZ   PHE  17           HZ       PHE  17   3.393  -4.681  -9.542
  143    H    ARG  18           H        ARG  18   7.747  -9.387  -9.753
  144    HA   ARG  18           HA       ARG  18  10.462 -10.613  -9.604
  145    HB2  ARG  18           HB2      ARG  18   7.831 -11.586 -10.815
  146    HB3  ARG  18           HB3      ARG  18   9.362 -12.334 -11.187
  147    HG2  ARG  18           HG2      ARG  18   9.002 -12.148  -8.281
  148    HG3  ARG  18           HG3      ARG  18   7.609 -12.923  -9.025
  149    HD2  ARG  18           HD2      ARG  18   8.907 -14.676  -9.957
  150    HD3  ARG  18           HD3      ARG  18  10.416 -13.784  -9.772
  151    HE   ARG  18           HE       ARG  18  10.459 -14.174  -7.461
  152   HH11  ARG  18          HH21      ARG  18   7.910 -16.110  -9.039
  153   HH12  ARG  18          HH22      ARG  18   7.743 -17.176  -7.689
  154   HH21  ARG  18          HH11      ARG  18  10.340 -15.623  -5.813
  155   HH22  ARG  18          HH12      ARG  18   9.203 -16.930  -5.819
  156    HA   PRO  19           HA       PRO  19  11.710  -8.363 -13.029
  157    HB2  PRO  19           HB2      PRO  19  11.831 -10.800 -14.818
  158    HB3  PRO  19           HB3      PRO  19  13.051  -9.503 -14.602
  159    HG2  PRO  19           HG2      PRO  19  13.362 -11.848 -13.301
  160    HG3  PRO  19           HG3      PRO  19  13.621 -10.310 -12.413
  161    HD2  PRO  19           HD2      PRO  19  11.187 -12.098 -12.415
  162    HD3  PRO  19           HD3      PRO  19  11.999 -11.308 -11.031
  163    H    PHE  20           H        PHE  20   9.014 -10.478 -13.964
  164    HA   PHE  20           HA       PHE  20   7.965  -8.315 -15.718
  165    HB2  PHE  20           HB2      PHE  20   9.305 -10.093 -16.969
  166    HB3  PHE  20           HB3      PHE  20   8.076 -11.254 -16.497
  167    HD1  PHE  20           HD2      PHE  20   8.452  -7.891 -18.175
  168    HD2  PHE  20           HD1      PHE  20   6.296 -11.629 -18.029
  169    HE1  PHE  20           HE2      PHE  20   7.176  -7.240 -20.203
  170    HE2  PHE  20           HE1      PHE  20   5.028 -10.973 -20.059
  171    HZ   PHE  20           HZ       PHE  20   5.462  -8.777 -21.148
  172    H    TYR  21           H        TYR  21   7.258  -9.890 -12.975
  173    HA   TYR  21           HA       TYR  21   4.449  -9.651 -13.199
  174    HB2  TYR  21           HB2      TYR  21   3.632 -11.796 -13.118
  175    HB3  TYR  21           HB3      TYR  21   4.802 -11.881 -14.403
  176    HD1  TYR  21           HD2      TYR  21   7.370 -12.502 -13.214
  177    HD2  TYR  21           HD1      TYR  21   3.439 -13.792 -11.982
  178    HE1  TYR  21           HE2      TYR  21   8.351 -14.527 -12.187
  179    HE2  TYR  21           HE1      TYR  21   4.417 -15.776 -10.900
  180    HH   TYR  21           HH       TYR  21   6.348 -17.004 -10.523
  181    H    ARG  22           H        ARG  22   4.025 -11.607 -10.888
  182    HA   ARG  22           HA       ARG  22   5.862 -10.681  -8.854
  183    HB2  ARG  22           HB2      ARG  22   4.233  -9.588  -7.432
  184    HB3  ARG  22           HB3      ARG  22   4.336  -8.727  -8.959
  185    HG2  ARG  22           HG2      ARG  22   2.121  -8.982  -9.310
  186    HG3  ARG  22           HG3      ARG  22   2.236 -10.730  -9.175
  187    HD2  ARG  22           HD2      ARG  22   0.751 -10.081  -7.450
  188    HD3  ARG  22           HD3      ARG  22   2.269 -10.488  -6.654
  189    HE   ARG  22           HE       ARG  22   2.527  -8.199  -6.071
  190   HH11  ARG  22          HH21      ARG  22  -0.172  -8.498  -8.378
  191   HH12  ARG  22          HH22      ARG  22  -0.671  -6.860  -8.206
  192   HH21  ARG  22          HH11      ARG  22   1.843  -6.047  -5.823
  193   HH22  ARG  22          HH12      ARG  22   0.493  -5.431  -6.731
  194    H    HIS  23           H        HIS  23   5.195 -11.543  -6.700
  195    HA   HIS  23           HA       HIS  23   3.646 -14.032  -6.777
  196    HB2  HIS  23           HB2      HIS  23   5.955 -14.611  -7.439
  197    HB3  HIS  23           HB3      HIS  23   6.634 -13.648  -6.139
  198    HD2  HIS  23           HD2      HIS  23   7.689 -15.189  -4.394
  199    HE1  HIS  23           HE1      HIS  23   4.804 -18.305  -4.326
  200    HE2  HIS  23           HE2      HIS  23   7.004 -17.498  -3.343
  201    H    TRP  24           H        TRP  24   3.845 -14.999  -4.336
  202    HA   TRP  24           HA       TRP  24   3.287 -12.744  -2.477
  203    HB2  TRP  24           HB2      TRP  24   1.361 -14.993  -3.174
  204    HB3  TRP  24           HB3      TRP  24   1.169 -13.852  -1.861
  205    HD1  TRP  24           HD1      TRP  24   1.031 -13.990  -5.691
  206    HE1  TRP  24           HE1      TRP  24   0.050 -11.853  -6.604
  207    HE3  TRP  24           HE3      TRP  24   0.605 -11.479  -1.287
  208    HZ2  TRP  24           HZ2      TRP  24  -0.885  -9.269  -5.497
  209    HZ3  TRP  24           HZ3      TRP  24  -0.302  -9.184  -1.216
  210    HH2  TRP  24           HH2      TRP  24  -1.011  -8.052  -3.331
  211    H    ALA  25           H        ALA  25   3.401 -13.249  -0.315
  212    HA   ALA  25           HA       ALA  25   4.243 -15.907   0.596
  213    HB1  ALA  25           HB1      ALA  25   6.401 -15.013   1.441
  214    HB2  ALA  25           HB2      ALA  25   6.335 -14.899  -0.323
  215    HB3  ALA  25           HB3      ALA  25   6.080 -13.452   0.662
  216    H    ILE  26           H        ILE  26   4.665 -15.703   3.079
  217    HA   ILE  26           HA       ILE  26   3.252 -13.395   4.301
  218    HB   ILE  26           HB       ILE  26   1.770 -15.292   3.922
  219   HG12  ILE  26          HG12      ILE  26   2.180 -14.857   6.884
  220   HG13  ILE  26          HG13      ILE  26   1.450 -13.684   5.767
  221   HG21  ILE  26          HG21      ILE  26   3.223 -17.193   4.042
  222   HG22  ILE  26          HG22      ILE  26   3.475 -16.921   5.796
  223   HG23  ILE  26          HG23      ILE  26   1.901 -17.388   5.155
  224   HD11  ILE  26          HD11      ILE  26  -0.149 -15.554   5.051
  225   HD12  ILE  26          HD12      ILE  26   0.385 -16.414   6.503
  226   HD13  ILE  26          HD13      ILE  26  -0.406 -14.816   6.639
  227    H    TYR  27           H        TYR  27   4.187 -12.675   6.143
  228    HA   TYR  27           HA       TYR  27   6.919 -13.535   6.658
  229    HB2  TYR  27           HB2      TYR  27   5.888 -11.160   6.479
  230    HB3  TYR  27           HB3      TYR  27   5.185 -11.454   8.052
  231    HD1  TYR  27           HD2      TYR  27   8.677 -12.228   6.739
  232    HD2  TYR  27           HD1      TYR  27   6.219  -9.812   9.314
  233    HE1  TYR  27           HE2      TYR  27  10.702 -11.162   7.655
  234    HE2  TYR  27           HE1      TYR  27   8.251  -8.767  10.293
  235    HH   TYR  27           HH       TYR  27  10.588  -8.683  10.251
  236    H    VAL  28           H        VAL  28   7.546 -14.857   8.341
  237    HA   VAL  28           HA       VAL  28   5.454 -15.664  10.333
  238    HB   VAL  28           HB       VAL  28   6.269 -17.984  10.129
  239   HG11  VAL  28          HG11      VAL  28   5.272 -16.905   7.472
  240   HG12  VAL  28          HG12      VAL  28   5.060 -18.537   8.137
  241   HG13  VAL  28          HG13      VAL  28   4.254 -17.162   8.903
  242   HG21  VAL  28          HG21      VAL  28   8.540 -17.453   9.161
  243   HG22  VAL  28          HG22      VAL  28   7.655 -18.740   8.343
  244   HG23  VAL  28          HG23      VAL  28   7.736 -17.125   7.613
  245    H    GLY  29           H        GLY  29   8.477 -14.273  10.088
  246    HA2  GLY  29           HA2      GLY  29   8.937 -14.443  12.896
  247    HA3  GLY  29           HA3      GLY  29  10.123 -15.422  11.996
  248    H    ASP  30           H        ASP  30  11.285 -13.372  13.196
  249    HA   ASP  30           HA       ASP  30  11.104 -10.856  11.797
  250    HB2  ASP  30           HB2      ASP  30  11.543 -11.017  14.203
  251    HB3  ASP  30           HB3      ASP  30  13.060 -11.863  13.894
  252    H    GLY  31           H        GLY  31  11.528 -12.365   9.741
  253    HA2  GLY  31           HA2      GLY  31  13.518 -11.483   8.222
  254    HA3  GLY  31           HA3      GLY  31  14.389 -12.749   9.100
  255    H    TYR  32           H        TYR  32  11.461 -14.205   8.980
  256    HA   TYR  32           HA       TYR  32  12.167 -15.541   6.396
  257    HB2  TYR  32           HB2      TYR  32  11.286 -16.661   9.071
  258    HB3  TYR  32           HB3      TYR  32  11.184 -17.578   7.579
  259    HD1  TYR  32           HD1      TYR  32  13.578 -15.887   9.878
  260    HD2  TYR  32           HD2      TYR  32  13.090 -18.588   6.543
  261    HE1  TYR  32           HE1      TYR  32  15.958 -16.568  10.084
  262    HE2  TYR  32           HE2      TYR  32  15.459 -19.271   6.739
  263    HH   TYR  32           HH       TYR  32  17.463 -18.998   7.898
  264    H    VAL  33           H        VAL  33  10.562 -16.601   5.242
  265    HA   VAL  33           HA       VAL  33   7.779 -15.760   5.761
  266    HB   VAL  33           HB       VAL  33   7.541 -15.451   3.268
  267   HG11  VAL  33          HG11      VAL  33   8.528 -13.167   3.191
  268   HG12  VAL  33          HG12      VAL  33   7.536 -13.490   4.607
  269   HG13  VAL  33          HG13      VAL  33   9.305 -13.502   4.759
  270   HG21  VAL  33          HG21      VAL  33   9.586 -16.582   2.490
  271   HG22  VAL  33          HG22      VAL  33   9.516 -14.913   1.913
  272   HG23  VAL  33          HG23      VAL  33  10.585 -15.344   3.265
  273    H    VAL  34           H        VAL  34   6.198 -17.079   4.779
  274    HA   VAL  34           HA       VAL  34   7.058 -19.745   3.773
  275    HB   VAL  34           HB       VAL  34   4.648 -18.794   5.346
  276   HG11  VAL  34          HG11      VAL  34   3.599 -19.998   3.553
  277   HG12  VAL  34          HG12      VAL  34   4.777 -21.335   3.684
  278   HG13  VAL  34          HG13      VAL  34   3.600 -21.034   4.979
  279   HG21  VAL  34          HG21      VAL  34   5.228 -20.711   6.776
  280   HG22  VAL  34          HG22      VAL  34   6.561 -21.121   5.667
  281   HG23  VAL  34          HG23      VAL  34   6.595 -19.599   6.567
  282    H    HIS  35           H        HIS  35   6.216 -20.294   1.712
  283    HA   HIS  35           HA       HIS  35   4.359 -18.564   0.327
  284    HB2  HIS  35           HB2      HIS  35   5.817 -17.602  -1.284
  285    HB3  HIS  35           HB3      HIS  35   6.472 -17.190   0.285
  286    HD2  HIS  35           HD2      HIS  35   8.191 -20.019   0.676
  287    HE1  HIS  35           HE1      HIS  35  10.306 -18.574  -2.720
  288    HE2  HIS  35           HE2      HIS  35  10.383 -20.181  -0.750
  289    H    LEU  36           H        LEU  36   4.346 -19.248  -2.118
  290    HA   LEU  36           HA       LEU  36   4.638 -22.195  -2.287
  291    HB2  LEU  36           HB2      LEU  36   3.407 -20.078  -4.075
  292    HB3  LEU  36           HB3      LEU  36   3.868 -21.633  -4.732
  293    HG   LEU  36           HG       LEU  36   1.506 -21.580  -4.297
  294   HD11  LEU  36          HD11      LEU  36   2.672 -23.747  -4.041
  295   HD12  LEU  36          HD12      LEU  36   2.880 -23.439  -2.309
  296   HD13  LEU  36          HD13      LEU  36   1.257 -23.619  -2.981
  297   HD21  LEU  36          HD21      LEU  36   2.135 -21.245  -1.333
  298   HD22  LEU  36          HD22      LEU  36   1.524 -19.957  -2.397
  299   HD23  LEU  36          HD23      LEU  36   0.547 -21.406  -2.100
  300    H    ALA  37           H        ALA  37   6.108 -23.135  -3.736
  301    HA   ALA  37           HA       ALA  37   8.078 -21.405  -5.126
  302    HB1  ALA  37           HB1      ALA  37   9.891 -22.839  -4.218
  303    HB2  ALA  37           HB2      ALA  37   9.024 -22.016  -2.906
  304    HB3  ALA  37           HB3      ALA  37   8.701 -23.734  -3.252
  305    HA   PRO  38           HA       PRO  38   7.592 -24.600  -8.291
  306    HB2  PRO  38           HB2      PRO  38  10.591 -24.693  -8.486
  307    HB3  PRO  38           HB3      PRO  38   9.387 -24.470  -9.789
  308    HG2  PRO  38           HG2      PRO  38  10.863 -22.375  -8.860
  309    HG3  PRO  38           HG3      PRO  38   9.130 -22.166  -9.266
  310    HD2  PRO  38           HD2      PRO  38  10.382 -22.584  -6.543
  311    HD3  PRO  38           HD3      PRO  38   9.119 -21.416  -7.038
  312    HA   PRO  39           HA       PRO  39   8.507 -28.453  -6.082
  313    HB2  PRO  39           HB2      PRO  39   9.098 -29.679  -8.769
  314    HB3  PRO  39           HB3      PRO  39   8.031 -30.261  -7.461
  315    HG2  PRO  39           HG2      PRO  39   7.003 -29.080  -9.684
  316    HG3  PRO  39           HG3      PRO  39   6.317 -28.741  -8.061
  317    HD2  PRO  39           HD2      PRO  39   8.263 -27.061  -9.661
  318    HD3  PRO  39           HD3      PRO  39   6.805 -26.556  -8.758
  319    H    SER  40           H        SER  40  10.393 -28.028  -4.962
  320    HA   SER  40           HA       SER  40  13.017 -28.294  -6.370
  321    HB2  SER  40           HB2      SER  40  12.273 -26.299  -4.197
  322    HB3  SER  40           HB3      SER  40  13.788 -26.376  -5.112
  323    HG   SER  40           HG       SER  40  11.187 -25.716  -6.029
  324    H    GLU  41           H        GLU  41  11.199 -29.833  -4.084
  325    HA   GLU  41           HA       GLU  41  13.590 -30.693  -2.539
  326    HB2  GLU  41           HB2      GLU  41  10.812 -30.056  -1.451
  327    HB3  GLU  41           HB3      GLU  41  12.100 -30.791  -0.505
  328    HG2  GLU  41           HG2      GLU  41  12.174 -28.006  -1.731
  329    HG3  GLU  41           HG3      GLU  41  11.809 -28.384  -0.058
  330    H    VAL  42           H        VAL  42  12.309 -31.746  -4.886
  331    HA   VAL  42           HA       VAL  42  11.544 -34.469  -3.959
  332    HB   VAL  42           HB       VAL  42   9.804 -34.428  -5.825
  333   HG11  VAL  42          HG11      VAL  42   8.041 -33.548  -4.355
  334   HG12  VAL  42          HG12      VAL  42   9.223 -34.459  -3.403
  335   HG13  VAL  42          HG13      VAL  42   9.241 -32.683  -3.376
  336   HG21  VAL  42          HG21      VAL  42   9.879 -31.400  -5.465
  337   HG22  VAL  42          HG22      VAL  42  10.433 -32.281  -6.911
  338   HG23  VAL  42          HG23      VAL  42   8.736 -32.347  -6.428
  339    H    ALA  43           H        ALA  43  13.189 -32.445  -6.299
  340    HA   ALA  43           HA       ALA  43  13.935 -34.808  -7.868
  341    HB1  ALA  43           HB1      ALA  43  12.512 -32.342  -8.988
  342    HB2  ALA  43           HB2      ALA  43  13.226 -33.642  -9.964
  343    HB3  ALA  43           HB3      ALA  43  11.846 -33.987  -8.895
  344    H    GLY  44           H        GLY  44  15.942 -34.440  -8.952
  345    HA2  GLY  44           HA2      GLY  44  17.594 -32.277  -7.894
  346    HA3  GLY  44           HA3      GLY  44  18.111 -33.643  -8.894
  347    H    ALA  45           H        ALA  45  15.600 -31.164  -9.491
  348    HA   ALA  45           HA       ALA  45  14.973 -30.107 -11.357
  349    HB1  ALA  45           HB1      ALA  45  16.671 -28.565 -10.449
  350    HB2  ALA  45           HB2      ALA  45  17.901 -29.305 -11.501
  351    HB3  ALA  45           HB3      ALA  45  16.524 -28.437 -12.210
  352    H    GLY  46           H        GLY  46  15.769 -32.929 -11.784
  353    HA2  GLY  46           HA2      GLY  46  15.931 -32.938 -14.727
  354    HA3  GLY  46           HA3      GLY  46  17.276 -33.661 -13.836
  355    H    ALA  47           H        ALA  47  14.019 -33.835 -12.505
  356    HA   ALA  47           HA       ALA  47  13.564 -36.572 -13.507
  357    HB1  ALA  47           HB1      ALA  47  13.718 -35.912 -10.529
  358    HB2  ALA  47           HB2      ALA  47  13.311 -37.483 -11.246
  359    HB3  ALA  47           HB3      ALA  47  14.941 -36.823 -11.444
  360    H    ALA  48           H        ALA  48  12.323 -33.754 -13.664
  361    HA   ALA  48           HA       ALA  48   9.571 -34.586 -13.520
  362    HB1  ALA  48           HB1      ALA  48  10.498 -32.188 -11.843
  363    HB2  ALA  48           HB2      ALA  48   8.820 -32.629 -12.166
  364    HB3  ALA  48           HB3      ALA  48   9.840 -33.706 -11.191
  365    H    SER  49           H        SER  49   8.233 -32.812 -14.580
  366    HA   SER  49           HA       SER  49   9.361 -31.799 -16.908
  367    HB2  SER  49           HB2      SER  49   6.927 -30.587 -15.605
  368    HB3  SER  49           HB3      SER  49   7.245 -30.921 -17.319
  369    HG   SER  49           HG       SER  49   5.785 -32.433 -16.438
  370    H    VAL  50           H        VAL  50   9.823 -30.499 -13.757
  371    HA   VAL  50           HA       VAL  50  10.154 -27.781 -14.347
  372    HB   VAL  50           HB       VAL  50  11.543 -27.619 -12.415
  373   HG11  VAL  50          HG11      VAL  50   9.103 -28.017 -12.085
  374   HG12  VAL  50          HG12      VAL  50   9.435 -29.744 -11.836
  375   HG13  VAL  50          HG13      VAL  50  10.103 -28.538 -10.721
  376   HG21  VAL  50          HG21      VAL  50  13.124 -29.400 -12.635
  377   HG22  VAL  50          HG22      VAL  50  12.257 -29.661 -11.119
  378   HG23  VAL  50          HG23      VAL  50  11.870 -30.643 -12.552
  379    H    MET  51           H        MET  51  12.134 -30.580 -15.182
  380    HA   MET  51           HA       MET  51  14.523 -29.241 -15.991
  381    HB2  MET  51           HB2      MET  51  14.207 -31.707 -15.597
  382    HB3  MET  51           HB3      MET  51  13.264 -31.797 -17.090
  383    HG2  MET  51           HG2      MET  51  15.246 -30.980 -18.363
  384    HG3  MET  51           HG3      MET  51  16.170 -30.919 -16.856
  385    HE1  MET  51           HE1      MET  51  18.096 -32.345 -17.937
  386    HE2  MET  51           HE2      MET  51  17.838 -33.891 -18.775
  387    HE3  MET  51           HE3      MET  51  17.189 -32.388 -19.467
  388    H    SER  52           H        SER  52  11.423 -29.935 -17.649
  389    HA   SER  52           HA       SER  52  12.214 -28.791 -20.192
  390    HB2  SER  52           HB2      SER  52   9.418 -29.430 -19.176
  391    HB3  SER  52           HB3      SER  52   9.983 -29.361 -20.851
  392    HG   SER  52           HG       SER  52   9.815 -31.511 -20.136
  393    H    ALA  53           H        ALA  53  11.621 -27.344 -17.247
  394    HA   ALA  53           HA       ALA  53  10.729 -25.501 -16.416
  395    HB1  ALA  53           HB1      ALA  53  12.600 -24.544 -17.707
  396    HB2  ALA  53           HB2      ALA  53  11.508 -24.268 -19.085
  397    HB3  ALA  53           HB3      ALA  53  11.248 -23.409 -17.553
  398    H    LEU  54           H        LEU  54   8.774 -27.269 -17.461
  399    HA   LEU  54           HA       LEU  54   6.551 -25.390 -17.885
  400    HB2  LEU  54           HB2      LEU  54   7.244 -25.914 -20.180
  401    HB3  LEU  54           HB3      LEU  54   7.228 -27.641 -19.824
  402    HG   LEU  54           HG       LEU  54   4.768 -27.558 -19.457
  403   HD11  LEU  54          HD11      LEU  54   5.022 -24.624 -20.255
  404   HD12  LEU  54          HD12      LEU  54   3.496 -25.529 -20.156
  405   HD13  LEU  54          HD13      LEU  54   4.443 -25.254 -18.696
  406   HD21  LEU  54          HD21      LEU  54   4.134 -27.215 -21.804
  407   HD22  LEU  54          HD22      LEU  54   5.652 -26.339 -22.106
  408   HD23  LEU  54          HD23      LEU  54   5.681 -28.066 -21.691
  409    H    THR  55           H        THR  55   5.509 -25.931 -16.011
  410    HA   THR  55           HA       THR  55   4.694 -28.703 -15.534
  411    HB   THR  55           HB       THR  55   5.948 -27.109 -13.274
  412    HG1  THR  55           HG1      THR  55   7.600 -27.268 -14.746
  413   HG21  THR  55          HG21      THR  55   5.670 -30.111 -13.761
  414   HG22  THR  55          HG22      THR  55   6.409 -29.355 -12.334
  415   HG23  THR  55          HG23      THR  55   4.684 -29.139 -12.654
  416    H    ASP  56           H        ASP  56   2.931 -28.676 -13.857
  417    HA   ASP  56           HA       ASP  56   1.770 -25.999 -13.360
  418    HB2  ASP  56           HB2      ASP  56   0.577 -26.952 -15.249
  419    HB3  ASP  56           HB3      ASP  56   0.274 -28.441 -14.342
  420    H    LYS  57           H        LYS  57   3.446 -27.185 -11.659
  421    HA   LYS  57           HA       LYS  57   1.738 -28.031  -9.373
  422    HB2  LYS  57           HB2      LYS  57   4.444 -29.124 -10.273
  423    HB3  LYS  57           HB3      LYS  57   3.776 -29.402  -8.663
  424    HG2  LYS  57           HG2      LYS  57   1.943 -30.625  -9.459
  425    HG3  LYS  57           HG3      LYS  57   2.235 -30.176 -11.157
  426    HD2  LYS  57           HD2      LYS  57   4.368 -31.357 -11.162
  427    HD3  LYS  57           HD3      LYS  57   4.142 -31.837  -9.462
  428    HE2  LYS  57           HE2      LYS  57   2.087 -33.085 -10.086
  429    HE3  LYS  57           HE3      LYS  57   2.293 -32.600 -11.775
  430    HZ1  LYS  57           HZ1      LYS  57   4.372 -33.857 -11.810
  431    HZ2  LYS  57           HZ2      LYS  57   4.183 -34.300 -10.246
  432    HZ3  LYS  57           HZ3      LYS  57   3.138 -34.825 -11.377
  433    H    ALA  58           H        ALA  58   2.718 -27.580  -7.370
  434    HA   ALA  58           HA       ALA  58   5.159 -25.964  -7.238
  435    HB1  ALA  58           HB1      ALA  58   3.495 -24.195  -7.637
  436    HB2  ALA  58           HB2      ALA  58   2.529 -24.752  -6.269
  437    HB3  ALA  58           HB3      ALA  58   4.147 -24.080  -5.996
  438    H    ILE  59           H        ILE  59   5.489 -25.375  -4.765
  439    HA   ILE  59           HA       ILE  59   4.448 -27.484  -2.966
  440    HB   ILE  59           HB       ILE  59   7.341 -26.905  -3.689
  441   HG12  ILE  59          HG12      ILE  59   5.667 -29.374  -3.212
  442   HG13  ILE  59          HG13      ILE  59   6.202 -28.776  -4.792
  443   HG21  ILE  59          HG21      ILE  59   6.469 -28.266  -1.103
  444   HG22  ILE  59          HG22      ILE  59   8.138 -28.085  -1.680
  445   HG23  ILE  59          HG23      ILE  59   7.252 -26.661  -1.200
  446   HD11  ILE  59          HD11      ILE  59   8.600 -29.219  -3.953
  447   HD12  ILE  59          HD12      ILE  59   7.832 -30.134  -2.633
  448   HD13  ILE  59          HD13      ILE  59   7.581 -30.635  -4.312
  449    H    VAL  60           H        VAL  60   4.458 -26.843  -0.814
  450    HA   VAL  60           HA       VAL  60   4.445 -23.855  -0.459
  451    HB   VAL  60           HB       VAL  60   3.447 -25.985   1.465
  452   HG11  VAL  60          HG11      VAL  60   4.089 -23.795   2.517
  453   HG12  VAL  60          HG12      VAL  60   3.010 -22.955   1.390
  454   HG13  VAL  60          HG13      VAL  60   2.347 -24.081   2.595
  455   HG21  VAL  60          HG21      VAL  60   1.792 -24.196  -0.380
  456   HG22  VAL  60          HG22      VAL  60   2.006 -25.951  -0.580
  457   HG23  VAL  60          HG23      VAL  60   1.163 -25.315   0.837
  458    H    LYS  61           H        LYS  61   6.199 -22.938   0.546
  459    HA   LYS  61           HA       LYS  61   8.202 -24.742   1.822
  460    HB2  LYS  61           HB2      LYS  61   8.381 -23.982  -0.771
  461    HB3  LYS  61           HB3      LYS  61   9.054 -22.526  -0.040
  462    HG2  LYS  61           HG2      LYS  61  10.716 -24.031   1.174
  463    HG3  LYS  61           HG3      LYS  61  10.015 -25.402   0.286
  464    HD2  LYS  61           HD2      LYS  61  10.562 -24.112  -1.861
  465    HD3  LYS  61           HD3      LYS  61  11.515 -23.006  -0.867
  466    HE2  LYS  61           HE2      LYS  61  11.899 -26.020  -1.171
  467    HE3  LYS  61           HE3      LYS  61  12.877 -24.776  -1.953
  468    HZ1  LYS  61           HZ1      LYS  61  12.737 -25.201   0.969
  469    HZ2  LYS  61           HZ2      LYS  61  13.934 -25.710  -0.018
  470    HZ3  LYS  61           HZ3      LYS  61  13.660 -24.074   0.210
  471    H    LYS  62           H        LYS  62   9.912 -23.414   2.981
  472    HA   LYS  62           HA       LYS  62   8.987 -20.737   3.865
  473    HB2  LYS  62           HB2      LYS  62   8.537 -22.388   5.672
  474    HB3  LYS  62           HB3      LYS  62  10.212 -22.938   5.597
  475    HG2  LYS  62           HG2      LYS  62  10.985 -20.674   6.294
  476    HG3  LYS  62           HG3      LYS  62   9.299 -20.129   6.378
  477    HD2  LYS  62           HD2      LYS  62   8.822 -21.707   8.173
  478    HD3  LYS  62           HD3      LYS  62  10.437 -22.434   8.015
  479    HE2  LYS  62           HE2      LYS  62  11.488 -20.279   8.633
  480    HE3  LYS  62           HE3      LYS  62   9.892 -19.529   8.778
  481    HZ1  LYS  62           HZ1      LYS  62  10.838 -21.785  10.451
  482    HZ2  LYS  62           HZ2      LYS  62  10.779 -20.226  10.927
  483    HZ3  LYS  62           HZ3      LYS  62   9.388 -21.021  10.600
  484    H    GLU  63           H        GLU  63  10.717 -19.222   3.954
  485    HA   GLU  63           HA       GLU  63  13.463 -20.055   3.415
  486    HB2  GLU  63           HB2      GLU  63  11.736 -18.560   1.382
  487    HB3  GLU  63           HB3      GLU  63  13.487 -18.439   1.384
  488    HG2  GLU  63           HG2      GLU  63  11.862 -20.959   0.890
  489    HG3  GLU  63           HG3      GLU  63  12.736 -20.013  -0.296
  490    H    LEU  64           H        LEU  64  14.889 -18.145   3.508
  491    HA   LEU  64           HA       LEU  64  14.090 -16.112   5.406
  492    HB2  LEU  64           HB2      LEU  64  16.466 -16.979   5.019
  493    HB3  LEU  64           HB3      LEU  64  16.426 -16.210   3.435
  494    HG   LEU  64           HG       LEU  64  15.967 -13.986   4.720
  495   HD11  LEU  64          HD11      LEU  64  17.145 -15.622   7.014
  496   HD12  LEU  64          HD12      LEU  64  16.737 -13.892   7.028
  497   HD13  LEU  64          HD13      LEU  64  15.456 -15.106   6.930
  498   HD21  LEU  64          HD21      LEU  64  18.386 -13.665   5.139
  499   HD22  LEU  64          HD22      LEU  64  18.641 -15.417   5.003
  500   HD23  LEU  64          HD23      LEU  64  18.089 -14.484   3.597
  501    H    LEU  65           H        LEU  65  13.208 -14.087   4.941
  502    HA   LEU  65           HA       LEU  65  11.819 -13.650   2.535
  503    HB2  LEU  65           HB2      LEU  65  11.312 -12.545   4.677
  504    HB3  LEU  65           HB3      LEU  65  12.781 -11.589   4.578
  505    HG   LEU  65           HG       LEU  65  10.836 -11.471   2.253
  506   HD11  LEU  65          HD11      LEU  65  10.470  -9.949   4.886
  507   HD12  LEU  65          HD12      LEU  65   9.566  -9.650   3.384
  508   HD13  LEU  65          HD13      LEU  65   9.376 -11.178   4.241
  509   HD21  LEU  65          HD21      LEU  65  11.552  -9.117   2.150
  510   HD22  LEU  65          HD22      LEU  65  12.512  -9.299   3.633
  511   HD23  LEU  65          HD23      LEU  65  12.979 -10.126   2.142
  512    H    TYR  66           H        TYR  66  15.042 -12.428   3.529
  513    HA   TYR  66           HA       TYR  66  15.332 -10.751   1.286
  514    HB2  TYR  66           HB2      TYR  66  17.505 -11.993   3.001
  515    HB3  TYR  66           HB3      TYR  66  17.675 -10.578   1.966
  516    HD1  TYR  66           HD2      TYR  66  15.759  -8.686   2.393
  517    HD2  TYR  66           HD1      TYR  66  17.133 -11.560   5.309
  518    HE1  TYR  66           HE2      TYR  66  14.882  -7.257   4.202
  519    HE2  TYR  66           HE1      TYR  66  16.280 -10.120   7.130
  520    HH   TYR  66           HH       TYR  66  14.612  -6.997   6.501
  521    H    ASP  67           H        ASP  67  15.625 -14.233   1.401
  522    HA   ASP  67           HA       ASP  67  17.252 -14.390  -1.052
  523    HB2  ASP  67           HB2      ASP  67  17.312 -16.257   0.538
  524    HB3  ASP  67           HB3      ASP  67  15.566 -16.481   0.380
  525    H    VAL  68           H        VAL  68  13.791 -14.695  -0.069
  526    HA   VAL  68           HA       VAL  68  12.801 -15.183  -2.694
  527    HB   VAL  68           HB       VAL  68  11.264 -13.917  -0.368
  528   HG11  VAL  68          HG11      VAL  68   9.341 -15.058  -1.392
  529   HG12  VAL  68          HG12      VAL  68  10.124 -14.046  -2.615
  530   HG13  VAL  68          HG13      VAL  68  10.383 -15.793  -2.628
  531   HG21  VAL  68          HG21      VAL  68  12.294 -15.915   0.565
  532   HG22  VAL  68          HG22      VAL  68  10.628 -16.324   0.173
  533   HG23  VAL  68          HG23      VAL  68  11.936 -16.856  -0.897
  534    H    ALA  69           H        ALA  69  13.298 -12.173  -0.847
  535    HA   ALA  69           HA       ALA  69  12.226 -10.303  -2.654
  536    HB1  ALA  69           HB1      ALA  69  13.776  -8.722  -1.495
  537    HB2  ALA  69           HB2      ALA  69  12.893  -9.762  -0.353
  538    HB3  ALA  69           HB3      ALA  69  14.601 -10.092  -0.750
  539    H    GLY  70           H        GLY  70  15.114 -12.257  -3.001
  540    HA2  GLY  70           HA2      GLY  70  16.673 -10.607  -4.716
  541    HA3  GLY  70           HA3      GLY  70  16.717 -12.374  -4.589
  542    H    SER  71           H        SER  71  13.606 -12.129  -5.285
  543    HA   SER  71           HA       SER  71  13.619 -12.754  -8.001
  544    HB2  SER  71           HB2      SER  71  11.453 -11.366  -6.371
  545    HB3  SER  71           HB3      SER  71  11.234 -12.205  -7.913
  546    HG   SER  71           HG       SER  71  11.910 -13.270  -5.365
  547    H    ASP  72           H        ASP  72  12.761  -9.575  -6.582
  548    HA   ASP  72           HA       ASP  72  14.448  -8.071  -8.299
  549    HB2  ASP  72           HB2      ASP  72  12.558  -8.472  -9.920
  550    HB3  ASP  72           HB3      ASP  72  11.482  -7.710  -8.749
  551    H    LYS  73           H        LYS  73  11.450  -7.984  -6.434
  552    HA   LYS  73           HA       LYS  73  12.382  -5.885  -4.580
  553    HB2  LYS  73           HB2      LYS  73  10.494  -5.587  -6.921
  554    HB3  LYS  73           HB3      LYS  73  10.132  -4.673  -5.434
  555    HG2  LYS  73           HG2      LYS  73  12.479  -3.682  -5.647
  556    HG3  LYS  73           HG3      LYS  73  12.562  -4.471  -7.230
  557    HD2  LYS  73           HD2      LYS  73  10.255  -3.224  -7.672
  558    HD3  LYS  73           HD3      LYS  73  10.768  -2.220  -6.311
  559    HE2  LYS  73           HE2      LYS  73  11.633  -1.039  -8.135
  560    HE3  LYS  73           HE3      LYS  73  13.026  -1.990  -7.606
  561    HZ1  LYS  73           HZ1      LYS  73  12.259  -3.664  -9.363
  562    HZ2  LYS  73           HZ2      LYS  73  11.259  -2.502  -9.916
  563    HZ3  LYS  73           HZ3      LYS  73  12.867  -2.241  -9.937
  564    H    TYR  74           H        TYR  74  10.340  -5.385  -3.079
  565    HA   TYR  74           HA       TYR  74   8.208  -7.318  -3.130
  566    HB2  TYR  74           HB2      TYR  74   8.607  -8.371  -1.006
  567    HB3  TYR  74           HB3      TYR  74   9.981  -8.666  -2.025
  568    HD1  TYR  74           HD1      TYR  74  12.095  -7.154  -1.645
  569    HD2  TYR  74           HD2      TYR  74   8.802  -7.339   1.135
  570    HE1  TYR  74           HE1      TYR  74  13.549  -6.221   0.120
  571    HE2  TYR  74           HE2      TYR  74  10.245  -6.392   2.909
  572    HH   TYR  74           HH       TYR  74  13.691  -5.521   2.323
  573    H    GLN  75           H        GLN  75   6.660  -6.869  -1.291
  574    HA   GLN  75           HA       GLN  75   6.899  -4.263   0.042
  575    HB2  GLN  75           HB2      GLN  75   4.406  -4.812  -1.616
  576    HB3  GLN  75           HB3      GLN  75   4.892  -3.325  -0.826
  577    HG2  GLN  75           HG2      GLN  75   6.754  -3.113  -2.521
  578    HG3  GLN  75           HG3      GLN  75   6.103  -4.535  -3.351
  579   HE21  GLN  75          HE22      GLN  75   4.013  -4.335  -4.525
  580   HE22  GLN  75          HE21      GLN  75   3.394  -2.737  -4.860
  581    H    VAL  76           H        VAL  76   5.097  -4.083   1.706
  582    HA   VAL  76           HA       VAL  76   4.044  -6.737   2.565
  583    HB   VAL  76           HB       VAL  76   3.723  -4.071   3.995
  584   HG11  VAL  76          HG11      VAL  76   2.192  -5.956   4.673
  585   HG12  VAL  76          HG12      VAL  76   3.604  -6.951   5.034
  586   HG13  VAL  76          HG13      VAL  76   3.292  -5.478   5.971
  587   HG21  VAL  76          HG21      VAL  76   5.936  -6.098   4.522
  588   HG22  VAL  76          HG22      VAL  76   6.166  -4.482   3.818
  589   HG23  VAL  76          HG23      VAL  76   5.573  -4.627   5.459
  590    H    ASN  77           H        ASN  77   1.799  -7.118   2.250
  591    HA   ASN  77           HA       ASN  77   0.048  -4.896   1.481
  592    HB2  ASN  77           HB2      ASN  77   1.215  -5.385  -0.655
  593    HB3  ASN  77           HB3      ASN  77   0.643  -7.050  -0.581
  594   HD21  ASN  77          HD22      ASN  77  -0.058  -5.889  -2.793
  595   HD22  ASN  77          HD21      ASN  77  -1.737  -5.338  -2.798
  596    H    ASN  78           H        ASN  78  -0.802  -5.747   3.525
  597    HA   ASN  78           HA       ASN  78  -2.275  -8.278   3.529
  598    HB2  ASN  78           HB2      ASN  78  -2.595  -5.766   5.225
  599    HB3  ASN  78           HB3      ASN  78  -3.533  -7.256   5.397
  600   HD21  ASN  78          HD22      ASN  78  -1.416  -5.746   7.147
  601   HD22  ASN  78          HD21      ASN  78  -0.467  -7.096   7.735
  602    H    LYS  79           H        LYS  79  -3.460  -8.316   1.603
  603    HA   LYS  79           HA       LYS  79  -4.534  -6.101   0.371
  604    HB2  LYS  79           HB2      LYS  79  -5.413  -9.005   0.124
  605    HB3  LYS  79           HB3      LYS  79  -6.042  -7.701  -0.888
  606    HG2  LYS  79           HG2      LYS  79  -3.596  -7.102  -1.433
  607    HG3  LYS  79           HG3      LYS  79  -3.152  -8.637  -0.686
  608    HD2  LYS  79           HD2      LYS  79  -3.256  -8.850  -3.085
  609    HD3  LYS  79           HD3      LYS  79  -4.536  -9.839  -2.373
  610    HE2  LYS  79           HE2      LYS  79  -6.236  -8.335  -3.070
  611    HE3  LYS  79           HE3      LYS  79  -5.101  -6.997  -3.297
  612    HZ1  LYS  79           HZ1      LYS  79  -5.907  -8.103  -5.379
  613    HZ2  LYS  79           HZ2      LYS  79  -4.285  -7.987  -5.257
  614    HZ3  LYS  79           HZ3      LYS  79  -5.004  -9.426  -4.984
  615    H    HIS  80           H        HIS  80  -6.124  -7.660   3.105
  616    HA   HIS  80           HA       HIS  80  -8.378  -5.768   2.734
  617    HB2  HIS  80           HB2      HIS  80  -8.772  -8.606   3.672
  618    HB3  HIS  80           HB3      HIS  80  -9.970  -7.363   3.318
  619    HD2  HIS  80           HD2      HIS  80  -7.853 -10.077   1.652
  620    HE1  HIS  80           HE1      HIS  80 -10.134  -8.320  -1.487
  621    HE2  HIS  80           HE2      HIS  80  -8.578 -10.240  -0.861
  622    H    ASP  81           H        ASP  81  -5.869  -5.919   4.606
  623    HA   ASP  81           HA       ASP  81  -6.949  -6.189   7.274
  624    HB2  ASP  81           HB2      ASP  81  -4.594  -6.188   6.926
  625    HB3  ASP  81           HB3      ASP  81  -4.632  -4.595   6.153
  626    H    ASP  82           H        ASP  82  -8.055  -4.258   4.891
  627    HA   ASP  82           HA       ASP  82  -8.572  -1.789   6.491
  628    HB2  ASP  82           HB2      ASP  82  -7.790  -1.522   4.153
  629    HB3  ASP  82           HB3      ASP  82  -9.156  -2.483   3.583
  630    H    LYS  83           H        LYS  83  -9.828  -4.869   5.851
  631    HA   LYS  83           HA       LYS  83 -12.659  -4.060   6.331
  632    HB2  LYS  83           HB2      LYS  83 -11.782  -6.348   4.546
  633    HB3  LYS  83           HB3      LYS  83 -13.374  -5.604   4.681
  634    HG2  LYS  83           HG2      LYS  83 -12.340  -3.506   3.628
  635    HG3  LYS  83           HG3      LYS  83 -10.852  -4.449   3.402
  636    HD2  LYS  83           HD2      LYS  83 -12.029  -4.460   1.336
  637    HD3  LYS  83           HD3      LYS  83 -12.111  -6.091   2.017
  638    HE2  LYS  83           HE2      LYS  83 -14.422  -5.639   2.819
  639    HE3  LYS  83           HE3      LYS  83 -14.319  -3.985   2.206
  640    HZ1  LYS  83           HZ1      LYS  83 -15.487  -5.431   0.670
  641    HZ2  LYS  83           HZ2      LYS  83 -14.122  -4.892  -0.032
  642    HZ3  LYS  83           HZ3      LYS  83 -14.205  -6.426   0.528
  643    H    TYR  84           H        TYR  84 -10.173  -6.615   6.590
  644    HA   TYR  84           HA       TYR  84 -11.618  -7.912   8.834
  645    HB2  TYR  84           HB2      TYR  84 -10.840  -9.215   6.180
  646    HB3  TYR  84           HB3      TYR  84 -11.388 -10.098   7.589
  647    HD1  TYR  84           HD2      TYR  84 -13.728  -9.460   8.579
  648    HD2  TYR  84           HD1      TYR  84 -12.436  -8.593   4.559
  649    HE1  TYR  84           HE2      TYR  84 -16.100  -9.267   7.865
  650    HE2  TYR  84           HE1      TYR  84 -14.797  -8.397   3.828
  651    HH   TYR  84           HH       TYR  84 -17.036  -8.503   4.476
  652    H    SER  85           H        SER  85 -10.396  -9.527   9.841
  653    HA   SER  85           HA       SER  85  -8.009 -10.707   9.119
  654    HB2  SER  85           HB2      SER  85  -7.519  -8.357  10.963
  655    HB3  SER  85           HB3      SER  85  -6.512  -9.826  10.965
  656    HG   SER  85           HG       SER  85  -7.113  -8.323   8.645
  657    HA   PRO  86           HA       PRO  86 -11.066 -12.120  12.320
  658    HB2  PRO  86           HB2      PRO  86 -11.460 -14.672  11.336
  659    HB3  PRO  86           HB3      PRO  86 -12.340 -13.218  10.760
  660    HG2  PRO  86           HG2      PRO  86  -9.906 -14.559   9.551
  661    HG3  PRO  86           HG3      PRO  86 -11.391 -13.993   8.719
  662    HD2  PRO  86           HD2      PRO  86  -9.136 -12.489   8.755
  663    HD3  PRO  86           HD3      PRO  86 -10.749 -11.739   8.913
  664    H    LEU  87           H        LEU  87  -7.939 -13.209  11.477
  665    HA   LEU  87           HA       LEU  87  -7.842 -15.201  13.698
  666    HB2  LEU  87           HB2      LEU  87  -6.271 -15.013  11.098
  667    HB3  LEU  87           HB3      LEU  87  -5.930 -16.173  12.385
  668    HG   LEU  87           HG       LEU  87  -8.542 -16.019  10.809
  669   HD11  LEU  87          HD11      LEU  87  -6.687 -16.725   9.400
  670   HD12  LEU  87          HD12      LEU  87  -6.200 -17.954  10.586
  671   HD13  LEU  87          HD13      LEU  87  -7.753 -18.097   9.731
  672   HD21  LEU  87          HD21      LEU  87  -8.937 -16.988  13.033
  673   HD22  LEU  87          HD22      LEU  87  -8.986 -18.262  11.817
  674   HD23  LEU  87          HD23      LEU  87  -7.544 -18.077  12.838
  675    HA   PRO  88           HA       PRO  88  -4.751 -12.347  15.338
  676    HB2  PRO  88           HB2      PRO  88  -3.693 -13.856  17.349
  677    HB3  PRO  88           HB3      PRO  88  -5.344 -13.168  17.440
  678    HG2  PRO  88           HG2      PRO  88  -4.533 -15.966  16.612
  679    HG3  PRO  88           HG3      PRO  88  -5.806 -15.491  17.781
  680    HD2  PRO  88           HD2      PRO  88  -6.362 -16.099  15.167
  681    HD3  PRO  88           HD3      PRO  88  -7.275 -14.844  16.055
  682    H    CYS  89           H        CYS  89  -2.409 -12.187  15.364
  683    HA   CYS  89           HA       CYS  89  -1.093 -13.220  13.175
  684    HB2  CYS  89           HB2      CYS  89   0.181 -12.343  15.800
  685    HB3  CYS  89           HB3      CYS  89   0.968 -12.422  14.216
  686    HG   CYS  89           HG       CYS  89   0.483  -9.925  14.800
  687    H    SER  90           H        SER  90  -1.007 -14.574  16.522
  688    HA   SER  90           HA       SER  90   0.872 -16.544  16.146
  689    HB2  SER  90           HB2      SER  90  -1.657 -16.898  17.790
  690    HB3  SER  90           HB3      SER  90  -0.046 -17.571  18.099
  691    HG   SER  90           HG       SER  90  -0.478 -15.736  19.401
  692    H    LYS  91           H        LYS  91  -2.662 -16.990  15.678
  693    HA   LYS  91           HA       LYS  91  -2.482 -19.629  14.648
  694    HB2  LYS  91           HB2      LYS  91  -4.624 -17.487  14.278
  695    HB3  LYS  91           HB3      LYS  91  -4.811 -19.159  13.769
  696    HG2  LYS  91           HG2      LYS  91  -4.364 -18.281  16.656
  697    HG3  LYS  91           HG3      LYS  91  -5.926 -18.654  15.922
  698    HD2  LYS  91           HD2      LYS  91  -5.116 -20.985  15.460
  699    HD3  LYS  91           HD3      LYS  91  -3.611 -20.599  16.329
  700    HE2  LYS  91           HE2      LYS  91  -4.921 -20.048  18.362
  701    HE3  LYS  91           HE3      LYS  91  -6.420 -20.424  17.504
  702    HZ1  LYS  91           HZ1      LYS  91  -5.695 -22.278  18.856
  703    HZ2  LYS  91           HZ2      LYS  91  -5.645 -22.716  17.290
  704    HZ3  LYS  91           HZ3      LYS  91  -4.261 -22.369  18.092
  705    H    ILE  92           H        ILE  92  -2.407 -16.447  12.952
  706    HA   ILE  92           HA       ILE  92  -2.611 -17.535  10.325
  707    HB   ILE  92           HB       ILE  92  -1.166 -15.043  11.326
  708   HG12  ILE  92          HG12      ILE  92  -3.837 -15.149   9.880
  709   HG13  ILE  92          HG13      ILE  92  -3.768 -15.306  11.621
  710   HG21  ILE  92          HG21      ILE  92  -0.269 -15.635   9.129
  711   HG22  ILE  92          HG22      ILE  92  -1.903 -15.890   8.489
  712   HG23  ILE  92          HG23      ILE  92  -1.351 -14.265   8.930
  713   HD11  ILE  92          HD11      ILE  92  -4.196 -12.972  10.786
  714   HD12  ILE  92          HD12      ILE  92  -2.860 -13.133  11.931
  715   HD13  ILE  92          HD13      ILE  92  -2.517 -12.922  10.212
  716    H    ILE  93           H        ILE  93   0.285 -16.843  12.365
  717    HA   ILE  93           HA       ILE  93   2.206 -17.844  10.508
  718    HB   ILE  93           HB       ILE  93   2.248 -17.565  13.547
  719   HG12  ILE  93          HG12      ILE  93   3.505 -15.700  11.488
  720   HG13  ILE  93          HG13      ILE  93   1.873 -15.470  12.072
  721   HG21  ILE  93          HG21      ILE  93   4.737 -17.557  13.329
  722   HG22  ILE  93          HG22      ILE  93   4.028 -19.099  12.867
  723   HG23  ILE  93          HG23      ILE  93   4.559 -17.966  11.611
  724   HD11  ILE  93          HD11      ILE  93   3.185 -14.077  13.426
  725   HD12  ILE  93          HD12      ILE  93   2.785 -15.456  14.450
  726   HD13  ILE  93          HD13      ILE  93   4.407 -15.332  13.722
  727    H    GLN  94           H        GLN  94   0.523 -19.339  13.303
  728    HA   GLN  94           HA       GLN  94   1.801 -21.823  13.133
  729    HB2  GLN  94           HB2      GLN  94   0.645 -22.345  14.920
  730    HB3  GLN  94           HB3      GLN  94  -0.007 -20.741  14.867
  731    HG2  GLN  94           HG2      GLN  94  -1.849 -22.096  15.224
  732    HG3  GLN  94           HG3      GLN  94  -1.966 -21.650  13.540
  733   HE21  GLN  94          HE22      GLN  94  -2.998 -23.495  12.609
  734   HE22  GLN  94          HE21      GLN  94  -2.333 -25.120  12.698
  735    H    ARG  95           H        ARG  95  -1.154 -20.732  11.385
  736    HA   ARG  95           HA       ARG  95  -1.583 -23.229  10.017
  737    HB2  ARG  95           HB2      ARG  95  -2.309 -20.334   9.386
  738    HB3  ARG  95           HB3      ARG  95  -2.724 -21.653   8.301
  739    HG2  ARG  95           HG2      ARG  95  -3.572 -21.641  11.223
  740    HG3  ARG  95           HG3      ARG  95  -4.536 -20.890   9.957
  741    HD2  ARG  95           HD2      ARG  95  -3.671 -23.807   9.881
  742    HD3  ARG  95           HD3      ARG  95  -5.198 -23.263  10.580
  743    HE   ARG  95           HE       ARG  95  -5.427 -22.146   8.189
  744   HH11  ARG  95          HH22      ARG  95  -4.286 -25.480   8.903
  745   HH12  ARG  95          HH21      ARG  95  -5.127 -26.153   7.552
  746   HH21  ARG  95          HH11      ARG  95  -6.364 -23.070   6.322
  747   HH22  ARG  95          HH12      ARG  95  -6.234 -24.754   6.013
  748    H    ALA  96           H        ALA  96   0.288 -20.264   9.114
  749    HA   ALA  96           HA       ALA  96   1.012 -21.117   6.559
  750    HB1  ALA  96           HB1      ALA  96   1.440 -18.826   7.604
  751    HB2  ALA  96           HB2      ALA  96   2.799 -19.544   8.481
  752    HB3  ALA  96           HB3      ALA  96   2.819 -19.495   6.713
  753    H    GLU  97           H        GLU  97   2.780 -21.640   9.618
  754    HA   GLU  97           HA       GLU  97   4.811 -23.230   8.338
  755    HB2  GLU  97           HB2      GLU  97   4.147 -22.829  11.283
  756    HB3  GLU  97           HB3      GLU  97   5.603 -23.621  10.655
  757    HG2  GLU  97           HG2      GLU  97   6.094 -21.483   9.360
  758    HG3  GLU  97           HG3      GLU  97   4.813 -20.700  10.281
  759    H    GLU  98           H        GLU  98   1.609 -24.135   9.526
  760    HA   GLU  98           HA       GLU  98   2.224 -26.876  10.121
  761    HB2  GLU  98           HB2      GLU  98   0.426 -25.905  11.273
  762    HB3  GLU  98           HB3      GLU  98  -0.156 -25.036   9.854
  763    HG2  GLU  98           HG2      GLU  98  -0.976 -27.034   8.854
  764    HG3  GLU  98           HG3      GLU  98  -0.454 -27.994  10.261
  765    H    LEU  99           H        LEU  99   1.480 -24.861   7.347
  766    HA   LEU  99           HA       LEU  99   0.733 -27.173   5.686
  767    HB2  LEU  99           HB2      LEU  99   0.575 -24.164   5.299
  768    HB3  LEU  99           HB3      LEU  99  -0.019 -25.332   4.125
  769    HG   LEU  99           HG       LEU  99  -0.999 -25.194   7.020
  770   HD11  LEU  99          HD11      LEU  99  -1.555 -23.147   5.894
  771   HD12  LEU  99          HD12      LEU  99  -2.227 -24.015   4.492
  772   HD13  LEU  99          HD13      LEU  99  -3.020 -24.108   6.083
  773   HD21  LEU  99          HD21      LEU  99  -1.394 -27.411   5.944
  774   HD22  LEU  99          HD22      LEU  99  -2.892 -26.539   6.237
  775   HD23  LEU  99          HD23      LEU  99  -2.229 -26.591   4.596
  776    H    VAL 100           H        VAL 100   3.629 -25.397   6.213
  777    HA   VAL 100           HA       VAL 100   4.838 -25.580   3.641
  778    HB   VAL 100           HB       VAL 100   5.950 -25.733   6.476
  779   HG11  VAL 100          HG11      VAL 100   7.656 -26.739   5.044
  780   HG12  VAL 100          HG12      VAL 100   7.510 -25.409   3.875
  781   HG13  VAL 100          HG13      VAL 100   8.167 -25.115   5.498
  782   HG21  VAL 100          HG21      VAL 100   4.859 -23.567   5.763
  783   HG22  VAL 100          HG22      VAL 100   6.563 -23.424   6.166
  784   HG23  VAL 100          HG23      VAL 100   6.044 -23.445   4.460
  785    H    GLY 101           H        GLY 101   5.966 -27.183   2.613
  786    HA2  GLY 101           HA2      GLY 101   7.206 -29.139   2.510
  787    HA3  GLY 101           HA3      GLY 101   6.399 -29.777   3.948
  788    H    GLN 102           H        GLN 102   3.847 -28.636   2.179
  789    HA   GLN 102           HA       GLN 102   3.327 -31.324   1.048
  790    HB2  GLN 102           HB2      GLN 102   1.064 -30.732   0.907
  791    HB3  GLN 102           HB3      GLN 102   1.613 -30.106   2.460
  792    HG2  GLN 102           HG2      GLN 102   1.874 -27.833   1.320
  793    HG3  GLN 102           HG3      GLN 102   1.092 -28.524  -0.103
  794   HE21  GLN 102          HE22      GLN 102   0.643 -27.344   3.139
  795   HE22  GLN 102          HE21      GLN 102  -1.114 -27.499   3.193
  796    H    GLU 103           H        GLU 103   2.507 -31.490  -1.160
  797    HA   GLU 103           HA       GLU 103   3.600 -29.435  -3.015
  798    HB2  GLU 103           HB2      GLU 103   2.617 -32.155  -3.857
  799    HB3  GLU 103           HB3      GLU 103   3.701 -31.028  -4.689
  800    HG2  GLU 103           HG2      GLU 103   5.528 -31.622  -3.147
  801    HG3  GLU 103           HG3      GLU 103   4.445 -32.668  -2.232
  802    H    VAL 104           H        VAL 104   2.157 -28.678  -4.679
  803    HA   VAL 104           HA       VAL 104  -0.696 -29.368  -4.379
  804    HB   VAL 104           HB       VAL 104  -1.146 -26.994  -4.869
  805   HG11  VAL 104          HG11      VAL 104   0.297 -27.413  -2.218
  806   HG12  VAL 104          HG12      VAL 104  -0.935 -26.185  -2.561
  807   HG13  VAL 104          HG13      VAL 104  -1.375 -27.900  -2.567
  808   HG21  VAL 104          HG21      VAL 104   0.443 -25.234  -4.428
  809   HG22  VAL 104          HG22      VAL 104   1.719 -26.406  -4.052
  810   HG23  VAL 104          HG23      VAL 104   1.055 -26.285  -5.704
  811    H    LEU 105           H        LEU 105  -1.836 -29.284  -6.340
  812    HA   LEU 105           HA       LEU 105  -0.026 -29.835  -8.622
  813    HB2  LEU 105           HB2      LEU 105  -2.883 -30.658  -8.022
  814    HB3  LEU 105           HB3      LEU 105  -2.001 -31.087  -9.478
  815    HG   LEU 105           HG       LEU 105  -2.055 -33.013  -8.148
  816   HD11  LEU 105          HD11      LEU 105   0.743 -31.869  -7.804
  817   HD12  LEU 105          HD12      LEU 105   0.280 -33.579  -7.900
  818   HD13  LEU 105          HD13      LEU 105   0.082 -32.537  -9.320
  819   HD21  LEU 105          HD21      LEU 105  -0.710 -31.624  -5.805
  820   HD22  LEU 105          HD22      LEU 105  -2.459 -31.943  -5.919
  821   HD23  LEU 105          HD23      LEU 105  -1.305 -33.283  -5.906
  822    H    TYR 106           H        TYR 106  -0.450 -27.295  -8.098
  823    HA   TYR 106           HA       TYR 106  -1.534 -26.380 -10.658
  824    HB2  TYR 106           HB2      TYR 106  -2.515 -24.344  -9.637
  825    HB3  TYR 106           HB3      TYR 106  -3.395 -25.811  -9.301
  826    HD1  TYR 106           HD2      TYR 106  -0.849 -23.488  -7.722
  827    HD2  TYR 106           HD1      TYR 106  -4.033 -26.341  -7.102
  828    HE1  TYR 106           HE2      TYR 106  -0.858 -22.948  -5.316
  829    HE2  TYR 106           HE1      TYR 106  -4.062 -25.784  -4.690
  830    HH   TYR 106           HH       TYR 106  -1.861 -23.337  -3.249
  831    H    LYS 107           H        LYS 107  -0.248 -24.739 -11.563
  832    HA   LYS 107           HA       LYS 107   2.329 -24.318 -10.661
  833    HB2  LYS 107           HB2      LYS 107   0.892 -23.782 -12.924
  834    HB3  LYS 107           HB3      LYS 107   0.836 -22.182 -12.199
  835    HG2  LYS 107           HG2      LYS 107   3.426 -22.475 -11.962
  836    HG3  LYS 107           HG3      LYS 107   3.200 -23.854 -13.045
  837    HD2  LYS 107           HD2      LYS 107   2.469 -20.938 -13.604
  838    HD3  LYS 107           HD3      LYS 107   3.890 -21.743 -14.246
  839    HE2  LYS 107           HE2      LYS 107   1.042 -22.678 -14.841
  840    HE3  LYS 107           HE3      LYS 107   1.863 -21.450 -15.800
  841    HZ1  LYS 107           HZ1      LYS 107   3.556 -23.033 -16.372
  842    HZ2  LYS 107           HZ2      LYS 107   2.901 -24.209 -15.439
  843    HZ3  LYS 107           HZ3      LYS 107   2.101 -23.656 -16.756
  844    H    LEU 108           H        LEU 108   3.337 -22.491  -9.679
  845    HA   LEU 108           HA       LEU 108   1.792 -20.975  -7.743
  846    HB2  LEU 108           HB2      LEU 108   3.909 -20.088  -7.017
  847    HB3  LEU 108           HB3      LEU 108   3.897 -21.827  -7.021
  848    HG   LEU 108           HG       LEU 108   5.150 -20.368  -9.380
  849   HD11  LEU 108          HD11      LEU 108   7.285 -20.317  -8.125
  850   HD12  LEU 108          HD12      LEU 108   6.057 -19.273  -7.389
  851   HD13  LEU 108          HD13      LEU 108   6.415 -20.843  -6.655
  852   HD21  LEU 108          HD21      LEU 108   5.738 -23.003  -7.963
  853   HD22  LEU 108          HD22      LEU 108   5.005 -22.814  -9.567
  854   HD23  LEU 108          HD23      LEU 108   6.674 -22.333  -9.317
  855    H    THR 109           H        THR 109   0.524 -20.127  -9.828
  856    HA   THR 109           HA       THR 109   1.646 -17.766 -11.117
  857    HB   THR 109           HB       THR 109  -0.840 -17.347 -11.558
  858    HG1  THR 109           HG1      THR 109  -2.205 -19.108 -11.087
  859   HG21  THR 109          HG21      THR 109   0.217 -20.076 -12.404
  860   HG22  THR 109          HG22      THR 109  -1.066 -19.147 -13.203
  861   HG23  THR 109          HG23      THR 109   0.596 -18.534 -13.199
  862    H    SER 110           H        SER 110   0.916 -15.553 -10.575
  863    HA   SER 110           HA       SER 110   1.055 -14.763  -7.907
  864    HB2  SER 110           HB2      SER 110   1.261 -13.288  -9.906
  865    HB3  SER 110           HB3      SER 110  -0.478 -13.446 -10.185
  866    HG   SER 110           HG       SER 110  -0.225 -11.595  -9.098
  867    H    GLU 111           H        GLU 111  -1.873 -15.556  -9.863
  868    HA   GLU 111           HA       GLU 111  -3.784 -14.938  -7.872
  869    HB2  GLU 111           HB2      GLU 111  -3.897 -16.906 -10.201
  870    HB3  GLU 111           HB3      GLU 111  -5.291 -16.409  -9.229
  871    HG2  GLU 111           HG2      GLU 111  -4.904 -14.039  -9.889
  872    HG3  GLU 111           HG3      GLU 111  -3.554 -14.545 -10.906
  873    H    ASN 112           H        ASN 112  -2.074 -18.086  -8.547
  874    HA   ASN 112           HA       ASN 112  -3.717 -19.476  -6.594
  875    HB2  ASN 112           HB2      ASN 112  -1.166 -20.177  -8.076
  876    HB3  ASN 112           HB3      ASN 112  -1.799 -21.198  -6.796
  877   HD21  ASN 112          HD22      ASN 112  -1.566 -21.679  -9.769
  878   HD22  ASN 112          HD21      ASN 112  -3.185 -22.128 -10.280
  879    H    CYS 113           H        CYS 113  -0.502 -17.871  -6.475
  880    HA   CYS 113           HA       CYS 113   0.053 -18.748  -3.799
  881    HB2  CYS 113           HB2      CYS 113   1.038 -16.259  -5.259
  882    HB3  CYS 113           HB3      CYS 113   1.767 -17.005  -3.816
  883    HG   CYS 113           HG       CYS 113   3.210 -17.514  -5.949
  884    H    GLU 114           H        GLU 114  -1.529 -15.793  -5.133
  885    HA   GLU 114           HA       GLU 114  -2.028 -14.444  -2.714
  886    HB2  GLU 114           HB2      GLU 114  -2.343 -13.456  -4.940
  887    HB3  GLU 114           HB3      GLU 114  -3.666 -14.576  -5.273
  888    HG2  GLU 114           HG2      GLU 114  -4.900 -13.555  -3.284
  889    HG3  GLU 114           HG3      GLU 114  -3.607 -12.359  -3.189
  890    H    HIS 115           H        HIS 115  -3.958 -16.918  -4.460
  891    HA   HIS 115           HA       HIS 115  -6.204 -17.002  -2.779
  892    HB2  HIS 115           HB2      HIS 115  -6.158 -17.978  -4.995
  893    HB3  HIS 115           HB3      HIS 115  -4.881 -19.095  -4.549
  894    HD2  HIS 115           HD2      HIS 115  -5.554 -21.155  -2.829
  895    HE1  HIS 115           HE1      HIS 115  -9.689 -21.068  -3.845
  896    HE2  HIS 115           HE2      HIS 115  -7.850 -22.422  -2.720
  897    H    PHE 116           H        PHE 116  -3.278 -19.174  -2.708
  898    HA   PHE 116           HA       PHE 116  -4.080 -20.550  -0.378
  899    HB2  PHE 116           HB2      PHE 116  -2.292 -21.502  -1.647
  900    HB3  PHE 116           HB3      PHE 116  -1.445 -19.970  -1.773
  901    HD1  PHE 116           HD1      PHE 116  -2.033 -22.901   0.432
  902    HD2  PHE 116           HD2      PHE 116   0.054 -19.152  -0.030
  903    HE1  PHE 116           HE1      PHE 116  -0.570 -23.461   2.359
  904    HE2  PHE 116           HE2      PHE 116   1.432 -19.659   1.965
  905    HZ   PHE 116           HZ       PHE 116   1.161 -21.853   3.126
  906    H    VAL 117           H        VAL 117  -1.949 -17.676  -0.683
  907    HA   VAL 117           HA       VAL 117  -1.429 -17.709   2.090
  908    HB   VAL 117           HB       VAL 117  -0.063 -16.709   0.159
  909   HG11  VAL 117          HG11      VAL 117  -1.705 -15.052  -0.671
  910   HG12  VAL 117          HG12      VAL 117  -1.663 -14.208   0.887
  911   HG13  VAL 117          HG13      VAL 117  -0.217 -14.270  -0.130
  912   HG21  VAL 117          HG21      VAL 117   0.740 -16.774   2.349
  913   HG22  VAL 117          HG22      VAL 117   1.057 -15.164   1.686
  914   HG23  VAL 117          HG23      VAL 117  -0.283 -15.403   2.836
  915    H    ASN 118           H        ASN 118  -4.049 -16.148   0.289
  916    HA   ASN 118           HA       ASN 118  -4.913 -14.476   2.487
  917    HB2  ASN 118           HB2      ASN 118  -6.172 -15.369  -0.112
  918    HB3  ASN 118           HB3      ASN 118  -7.184 -14.689   1.163
  919   HD21  ASN 118          HD22      ASN 118  -4.076 -13.944  -0.530
  920   HD22  ASN 118          HD21      ASN 118  -4.227 -12.200  -0.345
  921    H    GLU 119           H        GLU 119  -5.546 -17.862   1.548
  922    HA   GLU 119           HA       GLU 119  -7.501 -18.453   3.453
  923    HB2  GLU 119           HB2      GLU 119  -6.152 -19.854   1.524
  924    HB3  GLU 119           HB3      GLU 119  -5.338 -20.471   2.974
  925    HG2  GLU 119           HG2      GLU 119  -7.656 -20.922   3.918
  926    HG3  GLU 119           HG3      GLU 119  -8.290 -20.459   2.330
  927    H    LEU 120           H        LEU 120  -4.039 -17.858   3.935
  928    HA   LEU 120           HA       LEU 120  -4.049 -18.962   6.619
  929    HB2  LEU 120           HB2      LEU 120  -1.993 -17.092   5.401
  930    HB3  LEU 120           HB3      LEU 120  -1.790 -18.160   6.784
  931    HG   LEU 120           HG       LEU 120  -2.197 -19.020   3.887
  932   HD11  LEU 120          HD11      LEU 120   0.224 -18.926   5.704
  933   HD12  LEU 120          HD12      LEU 120   0.192 -19.781   4.161
  934   HD13  LEU 120          HD13      LEU 120  -0.046 -18.028   4.194
  935   HD21  LEU 120          HD21      LEU 120  -1.583 -20.719   6.340
  936   HD22  LEU 120          HD22      LEU 120  -3.114 -20.724   5.428
  937   HD23  LEU 120          HD23      LEU 120  -1.633 -21.272   4.645
  938    H    ARG 121           H        ARG 121  -3.896 -15.661   5.167
  939    HA   ARG 121           HA       ARG 121  -3.842 -14.394   7.743
  940    HB2  ARG 121           HB2      ARG 121  -2.840 -13.346   5.797
  941    HB3  ARG 121           HB3      ARG 121  -4.388 -13.297   4.960
  942    HG2  ARG 121           HG2      ARG 121  -3.774 -11.084   5.805
  943    HG3  ARG 121           HG3      ARG 121  -5.249 -11.663   6.586
  944    HD2  ARG 121           HD2      ARG 121  -3.933 -12.320   8.571
  945    HD3  ARG 121           HD3      ARG 121  -2.471 -11.699   7.792
  946    HE   ARG 121           HE       ARG 121  -4.885 -10.018   8.431
  947   HH11  ARG 121          HH21      ARG 121  -1.354 -10.459   8.702
  948   HH12  ARG 121          HH22      ARG 121  -1.051  -8.822   9.181
  949   HH21  ARG 121          HH11      ARG 121  -4.555  -8.008   9.283
  950   HH22  ARG 121          HH12      ARG 121  -2.964  -7.419   9.656
  951    H    TYR 122           H        TYR 122  -6.531 -15.235   5.561
  952    HA   TYR 122           HA       TYR 122  -8.393 -14.012   7.543
  953    HB2  TYR 122           HB2      TYR 122  -8.899 -14.205   4.566
  954    HB3  TYR 122           HB3      TYR 122  -9.778 -13.255   5.748
  955    HD1  TYR 122           HD1      TYR 122  -8.756 -11.097   6.654
  956    HD2  TYR 122           HD2      TYR 122  -6.932 -13.394   3.496
  957    HE1  TYR 122           HE1      TYR 122  -7.305  -9.162   6.075
  958    HE2  TYR 122           HE2      TYR 122  -5.463 -11.490   2.942
  959    HH   TYR 122           HH       TYR 122  -4.758  -9.416   3.551
  960    H    GLY 123           H        GLY 123  -7.438 -17.019   6.660
  961    HA2  GLY 123           HA2      GLY 123  -8.420 -18.962   7.416
  962    HA3  GLY 123           HA3      GLY 123  -9.962 -18.124   7.633
  963    H    VAL 124           H        VAL 124  -9.833 -17.057   4.760
  964    HA   VAL 124           HA       VAL 124 -10.101 -19.474   3.108
  965    HB   VAL 124           HB       VAL 124 -12.176 -18.277   2.216
  966   HG11  VAL 124          HG11      VAL 124 -12.412 -19.543   4.973
  967   HG12  VAL 124          HG12      VAL 124 -13.682 -19.444   3.737
  968   HG13  VAL 124          HG13      VAL 124 -12.243 -20.431   3.443
  969   HG21  VAL 124          HG21      VAL 124 -11.995 -16.138   3.470
  970   HG22  VAL 124          HG22      VAL 124 -13.543 -16.953   3.714
  971   HG23  VAL 124          HG23      VAL 124 -12.310 -17.016   4.984
  972    H    ALA 125           H        ALA 125  -9.367 -19.089   1.008
  973    HA   ALA 125           HA       ALA 125  -7.922 -16.881   0.188
  974    HB1  ALA 125           HB1      ALA 125  -8.035 -19.040  -1.020
  975    HB2  ALA 125           HB2      ALA 125  -9.715 -18.687  -1.491
  976    HB3  ALA 125           HB3      ALA 125  -8.397 -17.667  -2.089
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1   7.437  10.140  -0.079
    2    H2   MET   1           H2       MET   1   6.585   9.702  -1.408
    3    H3   MET   1           H3       MET   1   6.380   8.884  -0.010
    4    HA   MET   1           HA       MET   1   8.829   8.955  -1.621
    5    HB2  MET   1           HB2      MET   1   9.188   8.771   0.875
    6    HB3  MET   1           HB3      MET   1   8.290   7.249   0.855
    7    HG2  MET   1           HG2      MET   1   9.969   6.281  -0.678
    8    HG3  MET   1           HG3      MET   1  10.809   7.836  -0.757
    9    HE1  MET   1           HE1      MET   1  13.146   6.850  -0.148
   10    HE2  MET   1           HE2      MET   1  13.414   5.704   1.182
   11    HE3  MET   1           HE3      MET   1  12.404   5.236  -0.202
   12    H    ARG   2           H        ARG   2   9.019   7.322  -3.179
   13    HA   ARG   2           HA       ARG   2   6.605   5.956  -3.957
   14    HB2  ARG   2           HB2      ARG   2   9.493   5.597  -4.879
   15    HB3  ARG   2           HB3      ARG   2   8.097   4.796  -5.604
   16    HG2  ARG   2           HG2      ARG   2   7.094   7.030  -6.138
   17    HG3  ARG   2           HG3      ARG   2   8.523   7.814  -5.457
   18    HD2  ARG   2           HD2      ARG   2   8.790   7.776  -7.832
   19    HD3  ARG   2           HD3      ARG   2   9.948   6.628  -7.137
   20    HE   ARG   2           HE       ARG   2   7.467   5.339  -7.855
   21   HH11  ARG   2          HH11      ARG   2  10.435   6.627  -9.312
   22   HH12  ARG   2          HH12      ARG   2  10.378   5.597 -10.694
   23   HH21  ARG   2          HH21      ARG   2   7.390   3.953  -9.690
   24   HH22  ARG   2          HH22      ARG   2   8.601   4.046 -10.911
   25    H    ALA   3           H        ALA   3   9.580   4.833  -2.278
   26    HA   ALA   3           HA       ALA   3   8.782   2.099  -2.064
   27    HB1  ALA   3           HB1      ALA   3  11.106   2.871  -1.661
   28    HB2  ALA   3           HB2      ALA   3  10.559   3.761  -0.216
   29    HB3  ALA   3           HB3      ALA   3  10.469   1.991  -0.259
   30    HA   PRO   4           HA       PRO   4   5.505   2.675   0.856
   31    HB2  PRO   4           HB2      PRO   4   5.245   0.187   1.997
   32    HB3  PRO   4           HB3      PRO   4   4.779   0.565   0.309
   33    HG2  PRO   4           HG2      PRO   4   7.344  -0.693   1.307
   34    HG3  PRO   4           HG3      PRO   4   6.312  -1.217  -0.057
   35    HD2  PRO   4           HD2      PRO   4   8.553   0.296  -0.442
   36    HD3  PRO   4           HD3      PRO   4   7.088   0.523  -1.445
   37    H    ILE   5           H        ILE   5   8.651   1.681   2.000
   38    HA   ILE   5           HA       ILE   5   9.593   1.395   4.031
   39    HB   ILE   5           HB       ILE   5   9.781   3.490   5.327
   40   HG12  ILE   5          HG12      ILE   5   8.008   4.764   3.186
   41   HG13  ILE   5          HG13      ILE   5   7.473   4.433   4.833
   42   HG21  ILE   5          HG21      ILE   5  11.205   2.852   3.363
   43   HG22  ILE   5          HG22      ILE   5  10.146   3.827   2.318
   44   HG23  ILE   5          HG23      ILE   5  11.092   4.590   3.609
   45   HD11  ILE   5          HD11      ILE   5   8.104   6.745   4.681
   46   HD12  ILE   5          HD12      ILE   5   9.290   5.912   5.704
   47   HD13  ILE   5          HD13      ILE   5   9.697   6.343   4.024
   48    HA   PRO   6           HA       PRO   6   5.582   0.405   6.145
   49    HB2  PRO   6           HB2      PRO   6   5.354  -2.243   5.702
   50    HB3  PRO   6           HB3      PRO   6   5.110  -1.075   4.370
   51    HG2  PRO   6           HG2      PRO   6   7.493  -2.833   4.873
   52    HG3  PRO   6           HG3      PRO   6   6.780  -2.285   3.326
   53    HD2  PRO   6           HD2      PRO   6   8.917  -1.115   4.890
   54    HD3  PRO   6           HD3      PRO   6   8.278  -0.529   3.321
   55    H    GLU   7           H        GLU   7   5.200  -1.274   8.002
   56    HA   GLU   7           HA       GLU   7   7.713  -2.050   9.390
   57    HB2  GLU   7           HB2      GLU   7   5.467  -0.419  10.622
   58    HB3  GLU   7           HB3      GLU   7   6.786  -1.204  11.514
   59    HG2  GLU   7           HG2      GLU   7   8.439   0.107  10.143
   60    HG3  GLU   7           HG3      GLU   7   7.109   0.962   9.380
   61    HA   PRO   8           HA       PRO   8   4.389  -5.239   8.800
   62    HB2  PRO   8           HB2      PRO   8   6.053  -7.329   8.012
   63    HB3  PRO   8           HB3      PRO   8   5.279  -6.160   6.923
   64    HG2  PRO   8           HG2      PRO   8   8.104  -6.150   8.010
   65    HG3  PRO   8           HG3      PRO   8   7.559  -5.733   6.353
   66    HD2  PRO   8           HD2      PRO   8   8.161  -3.849   8.218
   67    HD3  PRO   8           HD3      PRO   8   6.879  -3.611   6.997
   68    H    LYS   9           H        LYS   9   3.927  -7.165   9.950
   69    HA   LYS   9           HA       LYS   9   5.770  -7.918  12.173
   70    HB2  LYS   9           HB2      LYS   9   2.743  -7.547  12.225
   71    HB3  LYS   9           HB3      LYS   9   3.656  -8.389  13.486
   72    HG2  LYS   9           HG2      LYS   9   4.971  -6.327  13.924
   73    HG3  LYS   9           HG3      LYS   9   4.021  -5.462  12.698
   74    HD2  LYS   9           HD2      LYS   9   1.946  -5.933  13.980
   75    HD3  LYS   9           HD3      LYS   9   2.891  -6.738  15.237
   76    HE2  LYS   9           HE2      LYS   9   3.212  -3.820  14.383
   77    HE3  LYS   9           HE3      LYS   9   2.242  -4.361  15.754
   78    HZ1  LYS   9           HZ1      LYS   9   4.263  -5.238  16.767
   79    HZ2  LYS   9           HZ2      LYS   9   5.174  -4.712  15.511
   80    HZ3  LYS   9           HZ3      LYS   9   4.410  -3.646  16.476
   81    HA   PRO  10           HA       PRO  10   5.221 -12.055  10.482
   82    HB2  PRO  10           HB2      PRO  10   4.851 -12.785  13.398
   83    HB3  PRO  10           HB3      PRO  10   5.798 -13.635  12.139
   84    HG2  PRO  10           HG2      PRO  10   7.070 -12.038  13.911
   85    HG3  PRO  10           HG3      PRO  10   7.497 -11.921  12.171
   86    HD2  PRO  10           HD2      PRO  10   5.670 -10.115  13.772
   87    HD3  PRO  10           HD3      PRO  10   6.943  -9.689  12.583
   88    H    GLY  11           H        GLY  11   3.391 -12.964   9.655
   89    HA2  GLY  11           HA2      GLY  11   1.131 -13.719   9.774
   90    HA3  GLY  11           HA3      GLY  11   0.755 -12.445  10.944
   91    H    ASP  12           H        ASP  12   2.723 -10.807   8.782
   92    HA   ASP  12           HA       ASP  12   0.355  -9.780   7.350
   93    HB2  ASP  12           HB2      ASP  12   3.229  -8.838   7.566
   94    HB3  ASP  12           HB3      ASP  12   2.065  -8.125   6.451
   95    H    LEU  13           H        LEU  13   0.231  -9.501   5.094
   96    HA   LEU  13           HA       LEU  13   1.330 -11.775   3.561
   97    HB2  LEU  13           HB2      LEU  13  -0.429  -9.424   2.746
   98    HB3  LEU  13           HB3      LEU  13   0.162 -10.659   1.650
   99    HG   LEU  13           HG       LEU  13  -1.960 -10.950   3.781
  100   HD11  LEU  13          HD11      LEU  13  -3.298 -11.697   1.943
  101   HD12  LEU  13          HD12      LEU  13  -2.535 -10.157   1.505
  102   HD13  LEU  13          HD13      LEU  13  -1.903 -11.675   0.840
  103   HD21  LEU  13          HD21      LEU  13  -0.643 -12.933   4.133
  104   HD22  LEU  13          HD22      LEU  13  -1.973 -13.414   3.071
  105   HD23  LEU  13          HD23      LEU  13  -0.353 -13.128   2.394
  106    H    ILE  14           H        ILE  14   2.827 -11.623   1.977
  107    HA   ILE  14           HA       ILE  14   4.229  -9.033   1.521
  108    HB   ILE  14           HB       ILE  14   5.281 -11.886   1.772
  109   HG12  ILE  14          HG12      ILE  14   4.849 -10.952   3.953
  110   HG13  ILE  14          HG13      ILE  14   6.568 -11.171   3.683
  111   HG21  ILE  14          HG21      ILE  14   6.756  -9.373   0.947
  112   HG22  ILE  14          HG22      ILE  14   7.573 -10.854   1.500
  113   HG23  ILE  14          HG23      ILE  14   6.585 -10.886   0.039
  114   HD11  ILE  14          HD11      ILE  14   6.822  -8.721   3.258
  115   HD12  ILE  14          HD12      ILE  14   5.082  -8.511   3.575
  116   HD13  ILE  14          HD13      ILE  14   6.158  -9.072   4.862
  117    H    GLU  15           H        GLU  15   4.771  -8.667  -0.652
  118    HA   GLU  15           HA       GLU  15   4.223 -10.849  -2.541
  119    HB2  GLU  15           HB2      GLU  15   3.164  -9.541  -4.126
  120    HB3  GLU  15           HB3      GLU  15   2.307  -9.198  -2.625
  121    HG2  GLU  15           HG2      GLU  15   3.595  -7.065  -2.397
  122    HG3  GLU  15           HG3      GLU  15   4.444  -7.416  -3.901
  123    H    ILE  16           H        ILE  16   5.613 -10.846  -4.260
  124    HA   ILE  16           HA       ILE  16   8.223  -9.485  -3.773
  125    HB   ILE  16           HB       ILE  16   7.601 -12.198  -4.975
  126   HG12  ILE  16          HG12      ILE  16   6.987 -12.249  -2.575
  127   HG13  ILE  16          HG13      ILE  16   8.260 -13.345  -3.034
  128   HG21  ILE  16          HG21      ILE  16  10.250 -10.936  -4.190
  129   HG22  ILE  16          HG22      ILE  16  10.038 -12.616  -4.745
  130   HG23  ILE  16          HG23      ILE  16   9.671 -11.267  -5.824
  131   HD11  ILE  16          HD11      ILE  16   9.951 -11.804  -2.071
  132   HD12  ILE  16          HD12      ILE  16   8.642 -10.677  -1.643
  133   HD13  ILE  16          HD13      ILE  16   8.723 -12.282  -0.887
  134    H    PHE  17           H        PHE  17   7.925  -7.773  -5.224
  135    HA   PHE  17           HA       PHE  17   6.543  -8.212  -7.758
  136    HB2  PHE  17           HB2      PHE  17   7.463  -5.890  -6.285
  137    HB3  PHE  17           HB3      PHE  17   8.049  -5.820  -7.943
  138    HD1  PHE  17           HD2      PHE  17   6.446  -5.977  -9.867
  139    HD2  PHE  17           HD1      PHE  17   5.065  -5.646  -5.779
  140    HE1  PHE  17           HE2      PHE  17   4.179  -5.378 -10.674
  141    HE2  PHE  17           HE1      PHE  17   2.803  -5.072  -6.606
  142    HZ   PHE  17           HZ       PHE  17   2.353  -4.925  -9.045
  143    H    ARG  18           H        ARG  18   7.385  -8.709  -9.729
  144    HA   ARG  18           HA       ARG  18  10.295  -9.293  -9.870
  145    HB2  ARG  18           HB2      ARG  18   7.828 -11.020 -10.164
  146    HB3  ARG  18           HB3      ARG  18   9.097 -11.296 -11.329
  147    HG2  ARG  18           HG2      ARG  18  10.737 -11.393  -9.342
  148    HG3  ARG  18           HG3      ARG  18   9.300 -11.483  -8.298
  149    HD2  ARG  18           HD2      ARG  18   8.560 -13.491  -9.525
  150    HD3  ARG  18           HD3      ARG  18   9.969 -13.334 -10.617
  151    HE   ARG  18           HE       ARG  18  10.810 -13.507  -7.873
  152   HH11  ARG  18          HH21      ARG  18   9.536 -15.615 -10.450
  153   HH12  ARG  18          HH22      ARG  18  10.314 -17.027  -9.828
  154   HH21  ARG  18          HH11      ARG  18  11.963 -15.247  -7.205
  155   HH22  ARG  18          HH12      ARG  18  11.737 -16.827  -7.900
  156    HA   PRO  19           HA       PRO  19  10.959  -7.420 -13.538
  157    HB2  PRO  19           HB2      PRO  19  10.908  -9.990 -15.145
  158    HB3  PRO  19           HB3      PRO  19  12.054  -8.615 -15.277
  159    HG2  PRO  19           HG2      PRO  19  12.741 -10.787 -13.827
  160    HG3  PRO  19           HG3      PRO  19  13.040  -9.150 -13.156
  161    HD2  PRO  19           HD2      PRO  19  10.841 -11.093 -12.484
  162    HD3  PRO  19           HD3      PRO  19  11.749  -9.997 -11.412
  163    H    PHE  20           H        PHE  20   8.283  -9.703 -14.158
  164    HA   PHE  20           HA       PHE  20   6.901  -7.576 -15.724
  165    HB2  PHE  20           HB2      PHE  20   7.115 -10.493 -16.565
  166    HB3  PHE  20           HB3      PHE  20   6.248  -9.228 -17.416
  167    HD1  PHE  20           HD1      PHE  20   7.589  -7.220 -18.350
  168    HD2  PHE  20           HD2      PHE  20   9.407 -10.924 -17.084
  169    HE1  PHE  20           HE1      PHE  20   9.614  -6.687 -19.683
  170    HE2  PHE  20           HE2      PHE  20  11.430 -10.383 -18.414
  171    HZ   PHE  20           HZ       PHE  20  11.539  -8.264 -19.715
  172    H    TYR  21           H        TYR  21   6.615  -9.122 -12.920
  173    HA   TYR  21           HA       TYR  21   3.750  -9.360 -12.872
  174    HB2  TYR  21           HB2      TYR  21   3.616 -11.767 -12.462
  175    HB3  TYR  21           HB3      TYR  21   4.214 -11.451 -14.063
  176    HD1  TYR  21           HD1      TYR  21   6.560 -11.988 -14.692
  177    HD2  TYR  21           HD2      TYR  21   5.051 -12.816 -10.745
  178    HE1  TYR  21           HE1      TYR  21   8.399 -13.606 -14.334
  179    HE2  TYR  21           HE2      TYR  21   6.799 -14.515 -10.412
  180    HH   TYR  21           HH       TYR  21   9.302 -15.209 -12.910
  181    H    ARG  22           H        ARG  22   3.466 -10.937 -10.558
  182    HA   ARG  22           HA       ARG  22   5.636 -10.278  -8.726
  183    HB2  ARG  22           HB2      ARG  22   4.039  -9.371  -6.985
  184    HB3  ARG  22           HB3      ARG  22   4.394  -8.321  -8.348
  185    HG2  ARG  22           HG2      ARG  22   2.159  -7.974  -8.015
  186    HG3  ARG  22           HG3      ARG  22   2.165  -9.076  -9.379
  187    HD2  ARG  22           HD2      ARG  22   1.760 -10.978  -7.711
  188    HD3  ARG  22           HD3      ARG  22   1.613  -9.749  -6.459
  189    HE   ARG  22           HE       ARG  22  -0.289 -10.381  -8.605
  190   HH11  ARG  22          HH11      ARG  22   0.631  -7.835  -6.247
  191   HH12  ARG  22          HH12      ARG  22  -0.888  -7.021  -6.393
  192   HH21  ARG  22          HH21      ARG  22  -2.324  -9.336  -8.657
  193   HH22  ARG  22          HH22      ARG  22  -2.593  -7.899  -7.756
  194    H    HIS  23           H        HIS  23   5.525 -11.538  -6.781
  195    HA   HIS  23           HA       HIS  23   3.841 -13.987  -7.012
  196    HB2  HIS  23           HB2      HIS  23   6.154 -14.507  -7.609
  197    HB3  HIS  23           HB3      HIS  23   6.771 -13.614  -6.229
  198    HD2  HIS  23           HD2      HIS  23   7.861 -15.281  -4.647
  199    HE1  HIS  23           HE1      HIS  23   4.868 -18.294  -4.552
  200    HE2  HIS  23           HE2      HIS  23   7.093 -17.548  -3.581
  201    H    TRP  24           H        TRP  24   3.807 -15.054  -4.611
  202    HA   TRP  24           HA       TRP  24   3.332 -12.841  -2.667
  203    HB2  TRP  24           HB2      TRP  24   1.338 -14.898  -3.625
  204    HB3  TRP  24           HB3      TRP  24   1.199 -14.104  -2.074
  205    HD1  TRP  24           HD1      TRP  24   1.015 -13.304  -5.818
  206    HE1  TRP  24           HE1      TRP  24  -0.274 -11.122  -6.129
  207    HE3  TRP  24           HE3      TRP  24   0.605 -11.937  -0.931
  208    HZ2  TRP  24           HZ2      TRP  24  -1.441  -9.054  -4.440
  209    HZ3  TRP  24           HZ3      TRP  24  -0.619  -9.860  -0.299
  210    HH2  TRP  24           HH2      TRP  24  -1.653  -8.433  -2.034
  211    H    ALA  25           H        ALA  25   3.446 -13.360  -0.556
  212    HA   ALA  25           HA       ALA  25   4.204 -16.036   0.367
  213    HB1  ALA  25           HB1      ALA  25   6.339 -15.180   1.272
  214    HB2  ALA  25           HB2      ALA  25   6.330 -15.021  -0.488
  215    HB3  ALA  25           HB3      ALA  25   6.055 -13.595   0.527
  216    H    ILE  26           H        ILE  26   4.574 -15.800   2.876
  217    HA   ILE  26           HA       ILE  26   3.077 -13.504   4.019
  218    HB   ILE  26           HB       ILE  26   1.742 -15.648   3.650
  219   HG12  ILE  26          HG12      ILE  26   1.893 -14.728   6.548
  220   HG13  ILE  26          HG13      ILE  26   1.182 -13.772   5.236
  221   HG21  ILE  26          HG21      ILE  26   3.467 -17.276   4.295
  222   HG22  ILE  26          HG22      ILE  26   3.355 -16.728   5.984
  223   HG23  ILE  26          HG23      ILE  26   1.987 -17.503   5.201
  224   HD11  ILE  26          HD11      ILE  26   0.269 -16.497   6.198
  225   HD12  ILE  26          HD12      ILE  26  -0.636 -14.966   6.218
  226   HD13  ILE  26          HD13      ILE  26  -0.272 -15.773   4.672
  227    H    TYR  27           H        TYR  27   3.994 -12.709   5.893
  228    HA   TYR  27           HA       TYR  27   6.764 -13.484   6.390
  229    HB2  TYR  27           HB2      TYR  27   5.642 -11.120   6.233
  230    HB3  TYR  27           HB3      TYR  27   5.039 -11.437   7.840
  231    HD1  TYR  27           HD1      TYR  27   8.459 -12.119   6.307
  232    HD2  TYR  27           HD2      TYR  27   6.130  -9.808   9.091
  233    HE1  TYR  27           HE1      TYR  27  10.513 -10.999   7.078
  234    HE2  TYR  27           HE2      TYR  27   8.190  -8.695   9.909
  235    HH   TYR  27           HH       TYR  27  10.508  -8.490   9.649
  236    H    VAL  28           H        VAL  28   7.422 -14.782   8.084
  237    HA   VAL  28           HA       VAL  28   5.354 -15.552  10.106
  238    HB   VAL  28           HB       VAL  28   6.135 -17.859   9.998
  239   HG11  VAL  28          HG11      VAL  28   4.193 -17.066   8.642
  240   HG12  VAL  28          HG12      VAL  28   5.286 -16.900   7.250
  241   HG13  VAL  28          HG13      VAL  28   5.010 -18.491   7.984
  242   HG21  VAL  28          HG21      VAL  28   8.459 -17.389   9.108
  243   HG22  VAL  28          HG22      VAL  28   7.600 -18.695   8.296
  244   HG23  VAL  28          HG23      VAL  28   7.730 -17.104   7.516
  245    H    GLY  29           H        GLY  29   8.342 -14.125   9.798
  246    HA2  GLY  29           HA2      GLY  29   8.826 -14.187  12.611
  247    HA3  GLY  29           HA3      GLY  29  10.041 -15.141  11.724
  248    H    ASP  30           H        ASP  30  11.066 -12.950  12.882
  249    HA   ASP  30           HA       ASP  30  10.767 -10.542  11.319
  250    HB2  ASP  30           HB2      ASP  30  11.140 -10.506  13.739
  251    HB3  ASP  30           HB3      ASP  30  12.718 -11.269  13.532
  252    H    GLY  31           H        GLY  31  11.343 -12.137   9.384
  253    HA2  GLY  31           HA2      GLY  31  13.373 -11.292   7.882
  254    HA3  GLY  31           HA3      GLY  31  14.227 -12.487   8.870
  255    H    TYR  32           H        TYR  32  11.330 -13.993   8.743
  256    HA   TYR  32           HA       TYR  32  12.077 -15.437   6.230
  257    HB2  TYR  32           HB2      TYR  32  11.189 -16.450   8.946
  258    HB3  TYR  32           HB3      TYR  32  11.097 -17.432   7.494
  259    HD1  TYR  32           HD2      TYR  32  13.465 -15.629   9.724
  260    HD2  TYR  32           HD1      TYR  32  13.014 -18.463   6.496
  261    HE1  TYR  32           HE2      TYR  32  15.849 -16.293   9.977
  262    HE2  TYR  32           HE1      TYR  32  15.385 -19.128   6.737
  263    HH   TYR  32           HH       TYR  32  17.379 -18.806   7.904
  264    H    VAL  33           H        VAL  33  10.491 -16.563   5.118
  265    HA   VAL  33           HA       VAL  33   7.694 -15.738   5.587
  266    HB   VAL  33           HB       VAL  33   7.484 -15.578   3.065
  267   HG11  VAL  33          HG11      VAL  33   9.134 -13.506   4.507
  268   HG12  VAL  33          HG12      VAL  33   8.397 -13.263   2.902
  269   HG13  VAL  33          HG13      VAL  33   7.373 -13.561   4.304
  270   HG21  VAL  33          HG21      VAL  33   9.449 -15.058   1.708
  271   HG22  VAL  33          HG22      VAL  33  10.517 -15.335   3.098
  272   HG23  VAL  33          HG23      VAL  33   9.596 -16.677   2.402
  273    H    VAL  34           H        VAL  34   6.139 -17.095   4.548
  274    HA   VAL  34           HA       VAL  34   7.074 -19.771   3.658
  275    HB   VAL  34           HB       VAL  34   4.639 -18.920   5.267
  276   HG11  VAL  34          HG11      VAL  34   4.967 -21.524   3.727
  277   HG12  VAL  34          HG12      VAL  34   3.774 -21.249   5.017
  278   HG13  VAL  34          HG13      VAL  34   3.684 -20.303   3.530
  279   HG21  VAL  34          HG21      VAL  34   6.680 -19.506   6.460
  280   HG22  VAL  34          HG22      VAL  34   5.417 -20.717   6.761
  281   HG23  VAL  34          HG23      VAL  34   6.743 -21.068   5.629
  282    H    HIS  35           H        HIS  35   6.292 -20.393   1.642
  283    HA   HIS  35           HA       HIS  35   4.256 -18.846   0.274
  284    HB2  HIS  35           HB2      HIS  35   5.581 -17.872  -1.444
  285    HB3  HIS  35           HB3      HIS  35   6.245 -17.340   0.083
  286    HD2  HIS  35           HD2      HIS  35   8.045 -20.338   0.223
  287    HE1  HIS  35           HE1      HIS  35  10.210 -18.251  -2.784
  288    HE2  HIS  35           HE2      HIS  35  10.302 -20.167  -1.146
  289    H    LEU  36           H        LEU  36   4.251 -19.550  -2.166
  290    HA   LEU  36           HA       LEU  36   4.596 -22.486  -2.294
  291    HB2  LEU  36           HB2      LEU  36   3.308 -20.403  -4.092
  292    HB3  LEU  36           HB3      LEU  36   3.785 -21.957  -4.745
  293    HG   LEU  36           HG       LEU  36   1.432 -21.955  -4.231
  294   HD11  LEU  36          HD11      LEU  36   2.696 -24.094  -3.935
  295   HD12  LEU  36          HD12      LEU  36   2.853 -23.742  -2.208
  296   HD13  LEU  36          HD13      LEU  36   1.255 -23.987  -2.914
  297   HD21  LEU  36          HD21      LEU  36   2.134 -21.529  -1.302
  298   HD22  LEU  36          HD22      LEU  36   1.427 -20.304  -2.386
  299   HD23  LEU  36          HD23      LEU  36   0.535 -21.788  -2.008
  300    H    ALA  37           H        ALA  37   6.143 -23.423  -3.528
  301    HA   ALA  37           HA       ALA  37   8.153 -21.785  -4.969
  302    HB1  ALA  37           HB1      ALA  37   9.917 -23.096  -3.767
  303    HB2  ALA  37           HB2      ALA  37   8.942 -22.145  -2.634
  304    HB3  ALA  37           HB3      ALA  37   8.661 -23.894  -2.811
  305    HA   PRO  38           HA       PRO  38   7.900 -25.328  -7.737
  306    HB2  PRO  38           HB2      PRO  38  10.517 -25.755  -8.520
  307    HB3  PRO  38           HB3      PRO  38   9.474 -24.443  -9.149
  308    HG2  PRO  38           HG2      PRO  38  11.515 -24.286  -6.912
  309    HG3  PRO  38           HG3      PRO  38  11.304 -23.165  -8.294
  310    HD2  PRO  38           HD2      PRO  38  10.264 -22.596  -5.869
  311    HD3  PRO  38           HD3      PRO  38   9.344 -22.226  -7.354
  312    HA   PRO  39           HA       PRO  39   8.417 -28.750  -5.039
  313    HB2  PRO  39           HB2      PRO  39   9.314 -30.348  -7.449
  314    HB3  PRO  39           HB3      PRO  39   8.129 -30.802  -6.182
  315    HG2  PRO  39           HG2      PRO  39   7.290 -29.877  -8.586
  316    HG3  PRO  39           HG3      PRO  39   6.495 -29.315  -7.074
  317    HD2  PRO  39           HD2      PRO  39   8.544 -27.887  -8.768
  318    HD3  PRO  39           HD3      PRO  39   7.089 -27.248  -7.948
  319    H    SER  40           H        SER  40   9.926 -29.899  -3.813
  320    HA   SER  40           HA       SER  40  12.626 -29.216  -3.734
  321    HB2  SER  40           HB2      SER  40  11.317 -31.816  -2.842
  322    HB3  SER  40           HB3      SER  40  12.770 -31.075  -2.167
  323    HG   SER  40           HG       SER  40  10.568 -30.792  -1.116
  324    H    GLU  41           H        GLU  41  14.523 -30.338  -4.342
  325    HA   GLU  41           HA       GLU  41  14.425 -32.157  -6.620
  326    HB2  GLU  41           HB2      GLU  41  16.160 -30.384  -6.344
  327    HB3  GLU  41           HB3      GLU  41  16.740 -31.183  -4.886
  328    HG2  GLU  41           HG2      GLU  41  18.190 -31.739  -6.740
  329    HG3  GLU  41           HG3      GLU  41  17.342 -33.197  -6.250
  330    H    VAL  42           H        VAL  42  12.987 -33.610  -5.437
  331    HA   VAL  42           HA       VAL  42  12.353 -35.246  -4.009
  332    HB   VAL  42           HB       VAL  42  13.662 -37.305  -4.242
  333   HG11  VAL  42          HG11      VAL  42  13.260 -37.557  -6.631
  334   HG12  VAL  42          HG12      VAL  42  11.958 -36.622  -5.883
  335   HG13  VAL  42          HG13      VAL  42  13.205 -35.797  -6.845
  336   HG21  VAL  42          HG21      VAL  42  15.575 -37.477  -5.720
  337   HG22  VAL  42          HG22      VAL  42  15.572 -35.733  -6.030
  338   HG23  VAL  42          HG23      VAL  42  15.999 -36.350  -4.425
  339    H    ALA  43           H        ALA  43  14.870 -36.764  -2.718
  340    HA   ALA  43           HA       ALA  43  14.179 -36.006  -0.098
  341    HB1  ALA  43           HB1      ALA  43  15.976 -37.563   0.525
  342    HB2  ALA  43           HB2      ALA  43  15.004 -38.208  -0.817
  343    HB3  ALA  43           HB3      ALA  43  16.612 -37.511  -1.138
  344    H    GLY  44           H        GLY  44  16.153 -34.189  -2.218
  345    HA2  GLY  44           HA2      GLY  44  18.032 -33.047  -0.356
  346    HA3  GLY  44           HA3      GLY  44  17.444 -32.352  -1.879
  347    H    ALA  45           H        ALA  45  14.564 -32.747  -0.804
  348    HA   ALA  45           HA       ALA  45  12.949 -31.553   0.127
  349    HB1  ALA  45           HB1      ALA  45  13.095 -31.076   2.499
  350    HB2  ALA  45           HB2      ALA  45  13.880 -32.625   2.144
  351    HB3  ALA  45           HB3      ALA  45  14.866 -31.175   2.452
  352    H    GLY  46           H        GLY  46  15.072 -29.985  -1.471
  353    HA2  GLY  46           HA2      GLY  46  13.827 -27.385  -1.198
  354    HA3  GLY  46           HA3      GLY  46  15.547 -27.417  -0.749
  355    H    ALA  47           H        ALA  47  15.149 -25.899  -2.879
  356    HA   ALA  47           HA       ALA  47  16.173 -27.366  -5.186
  357    HB1  ALA  47           HB1      ALA  47  13.711 -27.656  -5.412
  358    HB2  ALA  47           HB2      ALA  47  13.491 -25.894  -5.304
  359    HB3  ALA  47           HB3      ALA  47  14.347 -26.611  -6.686
  360    H    ALA  48           H        ALA  48  16.153 -25.542  -7.075
  361    HA   ALA  48           HA       ALA  48  16.739 -22.845  -6.066
  362    HB1  ALA  48           HB1      ALA  48  18.963 -24.001  -6.134
  363    HB2  ALA  48           HB2      ALA  48  18.665 -24.442  -7.835
  364    HB3  ALA  48           HB3      ALA  48  18.838 -22.738  -7.373
  365    H    SER  49           H        SER  49  16.795 -21.322  -7.971
  366    HA   SER  49           HA       SER  49  14.683 -21.750  -9.782
  367    HB2  SER  49           HB2      SER  49  16.989 -19.782 -10.045
  368    HB3  SER  49           HB3      SER  49  15.349 -19.608 -10.691
  369    HG   SER  49           HG       SER  49  15.672 -18.436  -8.735
  370    H    VAL  50           H        VAL  50  17.923 -22.922  -9.992
  371    HA   VAL  50           HA       VAL  50  18.620 -22.649 -12.638
  372    HB   VAL  50           HB       VAL  50  19.223 -24.994 -10.794
  373   HG11  VAL  50          HG11      VAL  50  21.288 -25.235 -12.148
  374   HG12  VAL  50          HG12      VAL  50  19.850 -25.500 -13.136
  375   HG13  VAL  50          HG13      VAL  50  20.726 -23.956 -13.247
  376   HG21  VAL  50          HG21      VAL  50  21.305 -23.733 -10.272
  377   HG22  VAL  50          HG22      VAL  50  20.704 -22.357 -11.221
  378   HG23  VAL  50          HG23      VAL  50  19.873 -22.861  -9.735
  379    H    MET  51           H        MET  51  17.359 -23.054 -14.332
  380    HA   MET  51           HA       MET  51  15.871 -23.886 -15.737
  381    HB2  MET  51           HB2      MET  51  17.922 -25.462 -15.838
  382    HB3  MET  51           HB3      MET  51  16.912 -26.645 -15.023
  383    HG2  MET  51           HG2      MET  51  16.954 -26.990 -17.443
  384    HG3  MET  51           HG3      MET  51  15.330 -26.629 -16.897
  385    HE1  MET  51           HE1      MET  51  18.369 -24.086 -17.678
  386    HE2  MET  51           HE2      MET  51  18.472 -25.403 -18.873
  387    HE3  MET  51           HE3      MET  51  18.015 -23.765 -19.387
  388    H    SER  52           H        SER  52  14.963 -23.691 -12.868
  389    HA   SER  52           HA       SER  52  12.545 -25.421 -12.995
  390    HB2  SER  52           HB2      SER  52  14.336 -25.211 -10.550
  391    HB3  SER  52           HB3      SER  52  12.947 -26.278 -10.782
  392    HG   SER  52           HG       SER  52  15.510 -26.371 -11.986
  393    H    ALA  53           H        ALA  53  13.413 -22.345 -12.998
  394    HA   ALA  53           HA       ALA  53  12.515 -21.160 -10.627
  395    HB1  ALA  53           HB1      ALA  53  12.433 -19.093 -11.945
  396    HB2  ALA  53           HB2      ALA  53  13.856 -20.043 -12.410
  397    HB3  ALA  53           HB3      ALA  53  12.418 -20.023 -13.457
  398    H    LEU  54           H        LEU  54  10.568 -22.661 -13.058
  399    HA   LEU  54           HA       LEU  54   8.095 -21.895 -11.699
  400    HB2  LEU  54           HB2      LEU  54   8.293 -20.185 -13.463
  401    HB3  LEU  54           HB3      LEU  54   8.657 -21.423 -14.665
  402    HG   LEU  54           HG       LEU  54   6.376 -22.331 -14.486
  403   HD11  LEU  54          HD11      LEU  54   5.908 -20.084 -12.472
  404   HD12  LEU  54          HD12      LEU  54   4.635 -21.068 -13.216
  405   HD13  LEU  54          HD13      LEU  54   5.808 -21.829 -12.151
  406   HD21  LEU  54          HD21      LEU  54   6.867 -20.540 -16.104
  407   HD22  LEU  54          HD22      LEU  54   5.208 -20.408 -15.507
  408   HD23  LEU  54          HD23      LEU  54   6.457 -19.309 -14.889
  409    H    THR  55           H        THR  55   6.611 -23.652 -11.854
  410    HA   THR  55           HA       THR  55   7.221 -25.952 -13.566
  411    HB   THR  55           HB       THR  55   6.897 -27.387 -11.441
  412    HG1  THR  55           HG1      THR  55   6.329 -25.983  -9.893
  413   HG21  THR  55          HG21      THR  55   9.239 -27.404 -10.871
  414   HG22  THR  55          HG22      THR  55   9.110 -27.100 -12.608
  415   HG23  THR  55          HG23      THR  55   9.474 -25.762 -11.493
  416    H    ASP  56           H        ASP  56   5.306 -27.307 -13.787
  417    HA   ASP  56           HA       ASP  56   2.937 -25.690 -13.607
  418    HB2  ASP  56           HB2      ASP  56   1.958 -27.108 -15.167
  419    HB3  ASP  56           HB3      ASP  56   3.658 -27.213 -15.602
  420    H    LYS  57           H        LYS  57   4.230 -27.190 -11.321
  421    HA   LYS  57           HA       LYS  57   1.842 -27.684  -9.739
  422    HB2  LYS  57           HB2      LYS  57   2.524 -29.841  -9.017
  423    HB3  LYS  57           HB3      LYS  57   2.613 -29.820 -10.790
  424    HG2  LYS  57           HG2      LYS  57   5.107 -29.463 -10.602
  425    HG3  LYS  57           HG3      LYS  57   4.935 -29.618  -8.849
  426    HD2  LYS  57           HD2      LYS  57   5.700 -31.715  -9.718
  427    HD3  LYS  57           HD3      LYS  57   4.037 -31.923  -9.146
  428    HE2  LYS  57           HE2      LYS  57   3.208 -31.744 -11.482
  429    HE3  LYS  57           HE3      LYS  57   4.853 -31.452 -12.056
  430    HZ1  LYS  57           HZ1      LYS  57   3.921 -33.953 -10.762
  431    HZ2  LYS  57           HZ2      LYS  57   4.200 -33.755 -12.354
  432    HZ3  LYS  57           HZ3      LYS  57   5.441 -33.683 -11.304
  433    H    ALA  58           H        ALA  58   2.577 -27.654  -7.344
  434    HA   ALA  58           HA       ALA  58   5.189 -26.291  -6.937
  435    HB1  ALA  58           HB1      ALA  58   4.177 -24.363  -5.877
  436    HB2  ALA  58           HB2      ALA  58   3.481 -24.539  -7.496
  437    HB3  ALA  58           HB3      ALA  58   2.545 -25.036  -6.087
  438    H    ILE  59           H        ILE  59   5.463 -25.739  -4.531
  439    HA   ILE  59           HA       ILE  59   4.187 -27.664  -2.690
  440    HB   ILE  59           HB       ILE  59   7.131 -27.495  -3.412
  441   HG12  ILE  59          HG12      ILE  59   5.107 -29.667  -2.883
  442   HG13  ILE  59          HG13      ILE  59   5.845 -29.262  -4.436
  443   HG21  ILE  59          HG21      ILE  59   6.124 -28.555  -0.740
  444   HG22  ILE  59          HG22      ILE  59   7.792 -28.647  -1.341
  445   HG23  ILE  59          HG23      ILE  59   7.112 -27.085  -0.960
  446   HD11  ILE  59          HD11      ILE  59   6.842 -31.298  -3.754
  447   HD12  ILE  59          HD12      ILE  59   8.071 -30.071  -3.390
  448   HD13  ILE  59          HD13      ILE  59   7.074 -30.742  -2.089
  449    H    VAL  60           H        VAL  60   4.255 -26.955  -0.544
  450    HA   VAL  60           HA       VAL  60   4.483 -23.989  -0.284
  451    HB   VAL  60           HB       VAL  60   3.528 -26.029   1.761
  452   HG11  VAL  60          HG11      VAL  60   3.094 -23.005   1.589
  453   HG12  VAL  60          HG12      VAL  60   2.522 -24.090   2.880
  454   HG13  VAL  60          HG13      VAL  60   4.249 -23.792   2.676
  455   HG21  VAL  60          HG21      VAL  60   1.989 -26.095  -0.182
  456   HG22  VAL  60          HG22      VAL  60   1.225 -25.328   1.210
  457   HG23  VAL  60          HG23      VAL  60   1.830 -24.324  -0.119
  458    H    LYS  61           H        LYS  61   6.280 -23.086   0.665
  459    HA   LYS  61           HA       LYS  61   8.234 -24.849   2.066
  460    HB2  LYS  61           HB2      LYS  61   8.604 -24.551  -0.480
  461    HB3  LYS  61           HB3      LYS  61   8.878 -22.851  -0.152
  462    HG2  LYS  61           HG2      LYS  61  11.003 -23.917  -0.396
  463    HG3  LYS  61           HG3      LYS  61  10.836 -23.466   1.287
  464    HD2  LYS  61           HD2      LYS  61  11.839 -25.636   1.199
  465    HD3  LYS  61           HD3      LYS  61  10.201 -25.864   1.816
  466    HE2  LYS  61           HE2      LYS  61   9.465 -26.510  -0.510
  467    HE3  LYS  61           HE3      LYS  61  11.131 -26.305  -1.064
  468    HZ1  LYS  61           HZ1      LYS  61  10.179 -28.309   0.900
  469    HZ2  LYS  61           HZ2      LYS  61  10.738 -28.604  -0.613
  470    HZ3  LYS  61           HZ3      LYS  61  11.760 -28.076   0.542
  471    H    LYS  62           H        LYS  62   9.896 -23.514   3.252
  472    HA   LYS  62           HA       LYS  62   8.950 -20.792   3.992
  473    HB2  LYS  62           HB2      LYS  62   8.517 -22.448   5.826
  474    HB3  LYS  62           HB3      LYS  62  10.208 -22.934   5.781
  475    HG2  LYS  62           HG2      LYS  62  10.888 -20.625   6.448
  476    HG3  LYS  62           HG3      LYS  62   9.179 -20.156   6.523
  477    HD2  LYS  62           HD2      LYS  62   8.773 -21.789   8.308
  478    HD3  LYS  62           HD3      LYS  62  10.440 -22.391   8.171
  479    HE2  LYS  62           HE2      LYS  62  11.302 -20.143   8.797
  480    HE3  LYS  62           HE3      LYS  62   9.645 -19.553   8.968
  481    HZ1  LYS  62           HZ1      LYS  62  10.590 -20.193  11.102
  482    HZ2  LYS  62           HZ2      LYS  62   9.334 -21.175  10.761
  483    HZ3  LYS  62           HZ3      LYS  62  10.868 -21.714  10.594
  484    H    GLU  63           H        GLU  63  10.648 -19.239   3.931
  485    HA   GLU  63           HA       GLU  63  13.424 -20.074   3.543
  486    HB2  GLU  63           HB2      GLU  63  11.778 -18.779   1.311
  487    HB3  GLU  63           HB3      GLU  63  13.546 -18.791   1.361
  488    HG2  GLU  63           HG2      GLU  63  13.443 -21.331   1.475
  489    HG3  GLU  63           HG3      GLU  63  11.710 -21.201   1.137
  490    H    LEU  64           H        LEU  64  14.825 -18.139   3.453
  491    HA   LEU  64           HA       LEU  64  14.021 -16.047   5.260
  492    HB2  LEU  64           HB2      LEU  64  16.380 -16.955   4.919
  493    HB3  LEU  64           HB3      LEU  64  16.368 -16.242   3.309
  494    HG   LEU  64           HG       LEU  64  15.951 -13.968   4.510
  495   HD11  LEU  64          HD11      LEU  64  15.399 -14.993   6.754
  496   HD12  LEU  64          HD12      LEU  64  17.073 -15.552   6.867
  497   HD13  LEU  64          HD13      LEU  64  16.714 -13.813   6.824
  498   HD21  LEU  64          HD21      LEU  64  18.388 -13.702   4.943
  499   HD22  LEU  64          HD22      LEU  64  18.585 -15.463   4.846
  500   HD23  LEU  64          HD23      LEU  64  18.065 -14.543   3.419
  501    H    LEU  65           H        LEU  65  13.057 -14.091   4.761
  502    HA   LEU  65           HA       LEU  65  11.769 -13.659   2.293
  503    HB2  LEU  65           HB2      LEU  65  11.120 -12.592   4.423
  504    HB3  LEU  65           HB3      LEU  65  12.562 -11.596   4.410
  505    HG   LEU  65           HG       LEU  65  10.720 -11.501   1.998
  506   HD11  LEU  65          HD11      LEU  65   9.366  -9.720   3.076
  507   HD12  LEU  65          HD12      LEU  65   9.187 -11.238   3.948
  508   HD13  LEU  65          HD13      LEU  65  10.230  -9.970   4.608
  509   HD21  LEU  65          HD21      LEU  65  12.807 -10.095   1.932
  510   HD22  LEU  65          HD22      LEU  65  11.371  -9.102   1.978
  511   HD23  LEU  65          HD23      LEU  65  12.331  -9.327   3.453
  512    H    TYR  66           H        TYR  66  14.867 -12.322   3.503
  513    HA   TYR  66           HA       TYR  66  15.217 -10.526   1.390
  514    HB2  TYR  66           HB2      TYR  66  17.416 -11.851   3.007
  515    HB3  TYR  66           HB3      TYR  66  17.482 -10.286   2.201
  516    HD1  TYR  66           HD1      TYR  66  15.414  -8.631   2.916
  517    HD2  TYR  66           HD2      TYR  66  17.039 -11.812   5.338
  518    HE1  TYR  66           HE1      TYR  66  14.427  -7.594   4.931
  519    HE2  TYR  66           HE2      TYR  66  16.052 -10.786   7.359
  520    HH   TYR  66           HH       TYR  66  14.131  -7.750   7.241
  521    H    ASP  67           H        ASP  67  15.749 -14.009   1.370
  522    HA   ASP  67           HA       ASP  67  17.433 -13.951  -1.037
  523    HB2  ASP  67           HB2      ASP  67  17.602 -15.829   0.543
  524    HB3  ASP  67           HB3      ASP  67  15.900 -16.227   0.277
  525    H    VAL  68           H        VAL  68  13.971 -14.506  -0.190
  526    HA   VAL  68           HA       VAL  68  13.125 -15.082  -2.858
  527    HB   VAL  68           HB       VAL  68  11.429 -13.929  -0.581
  528   HG11  VAL  68          HG11      VAL  68  10.721 -15.783  -2.919
  529   HG12  VAL  68          HG12      VAL  68   9.598 -15.111  -1.714
  530   HG13  VAL  68          HG13      VAL  68  10.399 -14.049  -2.884
  531   HG21  VAL  68          HG21      VAL  68  12.173 -16.844  -1.165
  532   HG22  VAL  68          HG22      VAL  68  12.552 -15.930   0.305
  533   HG23  VAL  68          HG23      VAL  68  10.880 -16.330  -0.064
  534    H    ALA  69           H        ALA  69  13.126 -12.047  -0.935
  535    HA   ALA  69           HA       ALA  69  12.087 -10.302  -2.910
  536    HB1  ALA  69           HB1      ALA  69  12.258  -9.692  -0.546
  537    HB2  ALA  69           HB2      ALA  69  14.036  -9.808  -0.613
  538    HB3  ALA  69           HB3      ALA  69  13.199  -8.548  -1.532
  539    H    GLY  70           H        GLY  70  15.267 -11.761  -2.586
  540    HA2  GLY  70           HA2      GLY  70  16.853 -10.027  -4.145
  541    HA3  GLY  70           HA3      GLY  70  17.090 -11.768  -3.912
  542    H    SER  71           H        SER  71  14.139 -11.979  -5.163
  543    HA   SER  71           HA       SER  71  14.754 -12.546  -7.841
  544    HB2  SER  71           HB2      SER  71  12.125 -11.472  -6.741
  545    HB3  SER  71           HB3      SER  71  12.388 -12.349  -8.256
  546    HG   SER  71           HG       SER  71  12.598 -13.309  -5.591
  547    H    ASP  72           H        ASP  72  13.482  -9.500  -6.429
  548    HA   ASP  72           HA       ASP  72  15.045  -7.848  -8.107
  549    HB2  ASP  72           HB2      ASP  72  13.360  -8.355  -9.833
  550    HB3  ASP  72           HB3      ASP  72  12.083  -7.936  -8.700
  551    H    LYS  73           H        LYS  73  11.877  -7.823  -6.446
  552    HA   LYS  73           HA       LYS  73  12.877  -6.225  -4.251
  553    HB2  LYS  73           HB2      LYS  73  11.556  -4.238  -4.588
  554    HB3  LYS  73           HB3      LYS  73  12.556  -4.489  -6.013
  555    HG2  LYS  73           HG2      LYS  73  10.557  -5.471  -7.200
  556    HG3  LYS  73           HG3      LYS  73   9.591  -5.157  -5.757
  557    HD2  LYS  73           HD2      LYS  73   9.160  -3.417  -7.340
  558    HD3  LYS  73           HD3      LYS  73  10.041  -2.725  -5.970
  559    HE2  LYS  73           HE2      LYS  73  12.152  -2.819  -7.288
  560    HE3  LYS  73           HE3      LYS  73  11.281  -3.560  -8.636
  561    HZ1  LYS  73           HZ1      LYS  73  11.568  -1.189  -8.960
  562    HZ2  LYS  73           HZ2      LYS  73   9.980  -1.520  -8.827
  563    HZ3  LYS  73           HZ3      LYS  73  10.784  -0.835  -7.577
  564    H    TYR  74           H        TYR  74  10.624  -5.440  -2.978
  565    HA   TYR  74           HA       TYR  74   8.441  -7.298  -3.299
  566    HB2  TYR  74           HB2      TYR  74   8.592  -8.463  -1.291
  567    HB3  TYR  74           HB3      TYR  74  10.197  -8.586  -1.945
  568    HD1  TYR  74           HD2      TYR  74  11.951  -6.751  -1.021
  569    HD2  TYR  74           HD1      TYR  74   8.208  -7.686   0.904
  570    HE1  TYR  74           HE2      TYR  74  12.809  -5.812   1.098
  571    HE2  TYR  74           HE1      TYR  74   9.046  -6.740   3.022
  572    HH   TYR  74           HH       TYR  74  10.845  -5.721   4.108
  573    H    GLN  75           H        GLN  75   6.741  -6.844  -1.556
  574    HA   GLN  75           HA       GLN  75   7.094  -4.525   0.080
  575    HB2  GLN  75           HB2      GLN  75   5.167  -3.228  -0.738
  576    HB3  GLN  75           HB3      GLN  75   6.503  -3.302  -1.881
  577    HG2  GLN  75           HG2      GLN  75   5.223  -5.152  -3.099
  578    HG3  GLN  75           HG3      GLN  75   3.866  -4.798  -2.021
  579   HE21  GLN  75          HE22      GLN  75   2.801  -4.431  -4.189
  580   HE22  GLN  75          HE21      GLN  75   2.971  -2.848  -4.939
  581    H    VAL  76           H        VAL  76   5.314  -4.268   1.631
  582    HA   VAL  76           HA       VAL  76   4.014  -6.815   2.324
  583    HB   VAL  76           HB       VAL  76   3.713  -4.072   3.625
  584   HG11  VAL  76          HG11      VAL  76   3.292  -6.890   4.745
  585   HG12  VAL  76          HG12      VAL  76   3.069  -5.371   5.631
  586   HG13  VAL  76          HG13      VAL  76   1.999  -5.773   4.284
  587   HG21  VAL  76          HG21      VAL  76   5.401  -4.692   5.250
  588   HG22  VAL  76          HG22      VAL  76   5.701  -6.240   4.424
  589   HG23  VAL  76          HG23      VAL  76   6.135  -4.702   3.657
  590    H    ASN  77           H        ASN  77   1.800  -7.149   1.933
  591    HA   ASN  77           HA       ASN  77   0.134  -4.941   0.946
  592    HB2  ASN  77           HB2      ASN  77   1.325  -5.706  -1.103
  593    HB3  ASN  77           HB3      ASN  77   0.635  -7.313  -0.891
  594   HD21  ASN  77          HD22      ASN  77   0.188  -5.874  -3.230
  595   HD22  ASN  77          HD21      ASN  77  -1.519  -5.430  -3.305
  596    H    ASN  78           H        ASN  78  -0.578  -5.687   3.178
  597    HA   ASN  78           HA       ASN  78  -2.162  -8.108   3.395
  598    HB2  ASN  78           HB2      ASN  78  -2.256  -5.431   4.845
  599    HB3  ASN  78           HB3      ASN  78  -3.403  -6.728   5.139
  600   HD21  ASN  78          HD22      ASN  78  -1.160  -5.455   6.828
  601   HD22  ASN  78          HD21      ASN  78  -0.418  -6.887   7.527
  602    H    LYS  79           H        LYS  79  -3.787  -8.505   1.987
  603    HA   LYS  79           HA       LYS  79  -4.866  -6.678   0.216
  604    HB2  LYS  79           HB2      LYS  79  -5.991  -9.286   1.320
  605    HB3  LYS  79           HB3      LYS  79  -6.809  -8.395   0.056
  606    HG2  LYS  79           HG2      LYS  79  -3.950  -9.442  -0.155
  607    HG3  LYS  79           HG3      LYS  79  -5.371 -10.254  -0.791
  608    HD2  LYS  79           HD2      LYS  79  -4.268  -7.563  -1.701
  609    HD3  LYS  79           HD3      LYS  79  -4.170  -9.082  -2.569
  610    HE2  LYS  79           HE2      LYS  79  -6.779  -7.643  -1.884
  611    HE3  LYS  79           HE3      LYS  79  -5.928  -7.532  -3.430
  612    HZ1  LYS  79           HZ1      LYS  79  -7.155  -9.974  -2.300
  613    HZ2  LYS  79           HZ2      LYS  79  -7.633  -9.154  -3.627
  614    HZ3  LYS  79           HZ3      LYS  79  -6.210  -9.974  -3.640
  615    H    HIS  80           H        HIS  80  -6.279  -7.519   3.431
  616    HA   HIS  80           HA       HIS  80  -7.801  -5.043   3.474
  617    HB2  HIS  80           HB2      HIS  80  -9.990  -6.365   3.703
  618    HB3  HIS  80           HB3      HIS  80  -9.360  -6.031   2.113
  619    HD2  HIS  80           HD2      HIS  80  -8.769  -9.022   4.585
  620    HE1  HIS  80           HE1      HIS  80  -9.156 -10.621   0.662
  621    HE2  HIS  80           HE2      HIS  80  -8.674 -11.175   3.100
  622    H    ASP  81           H        ASP  81  -5.776  -5.965   5.138
  623    HA   ASP  81           HA       ASP  81  -6.687  -7.043   7.624
  624    HB2  ASP  81           HB2      ASP  81  -4.351  -6.785   7.135
  625    HB3  ASP  81           HB3      ASP  81  -4.522  -5.044   6.884
  626    H    ASP  82           H        ASP  82  -7.688  -4.257   6.005
  627    HA   ASP  82           HA       ASP  82  -8.190  -2.546   8.379
  628    HB2  ASP  82           HB2      ASP  82  -7.318  -1.511   6.313
  629    HB3  ASP  82           HB3      ASP  82  -8.694  -2.138   5.404
  630    H    LYS  83           H        LYS  83  -9.684  -5.004   6.472
  631    HA   LYS  83           HA       LYS  83 -12.428  -4.171   7.307
  632    HB2  LYS  83           HB2      LYS  83 -11.799  -6.017   4.996
  633    HB3  LYS  83           HB3      LYS  83 -13.295  -5.166   5.354
  634    HG2  LYS  83           HG2      LYS  83 -12.075  -2.995   4.847
  635    HG3  LYS  83           HG3      LYS  83 -10.688  -3.980   4.313
  636    HD2  LYS  83           HD2      LYS  83 -12.137  -5.109   2.638
  637    HD3  LYS  83           HD3      LYS  83 -13.509  -4.099   3.153
  638    HE2  LYS  83           HE2      LYS  83 -12.215  -2.062   2.570
  639    HE3  LYS  83           HE3      LYS  83 -10.864  -3.071   2.038
  640    HZ1  LYS  83           HZ1      LYS  83 -12.230  -2.365   0.175
  641    HZ2  LYS  83           HZ2      LYS  83 -12.317  -3.986   0.313
  642    HZ3  LYS  83           HZ3      LYS  83 -13.564  -3.049   0.809
  643    H    TYR  84           H        TYR  84  -9.995  -6.737   7.294
  644    HA   TYR  84           HA       TYR  84 -11.819  -8.469   8.894
  645    HB2  TYR  84           HB2      TYR  84 -10.267  -9.235   6.386
  646    HB3  TYR  84           HB3      TYR  84 -11.003 -10.391   7.484
  647    HD1  TYR  84           HD2      TYR  84 -13.555 -10.129   7.974
  648    HD2  TYR  84           HD1      TYR  84 -11.552  -8.445   4.547
  649    HE1  TYR  84           HE2      TYR  84 -15.728  -9.982   6.782
  650    HE2  TYR  84           HE1      TYR  84 -13.711  -8.285   3.346
  651    HH   TYR  84           HH       TYR  84 -16.009  -8.670   3.443
  652    H    SER  85           H        SER  85 -10.868  -9.799  10.295
  653    HA   SER  85           HA       SER  85  -8.175 -10.686  10.160
  654    HB2  SER  85           HB2      SER  85  -7.516  -9.802  12.457
  655    HB3  SER  85           HB3      SER  85  -7.326  -8.744  11.057
  656    HG   SER  85           HG       SER  85  -8.271  -7.637  12.821
  657    HA   PRO  86           HA       PRO  86 -11.469 -13.136  12.407
  658    HB2  PRO  86           HB2      PRO  86 -11.261 -15.442  10.916
  659    HB3  PRO  86           HB3      PRO  86 -12.344 -14.071  10.500
  660    HG2  PRO  86           HG2      PRO  86  -9.598 -14.717   9.404
  661    HG3  PRO  86           HG3      PRO  86 -11.072 -14.219   8.506
  662    HD2  PRO  86           HD2      PRO  86  -9.096 -12.458   9.154
  663    HD3  PRO  86           HD3      PRO  86 -10.823 -11.984   9.146
  664    H    LEU  87           H        LEU  87  -8.117 -13.429  11.705
  665    HA   LEU  87           HA       LEU  87  -7.712 -15.639  13.669
  666    HB2  LEU  87           HB2      LEU  87  -6.267 -15.032  11.060
  667    HB3  LEU  87           HB3      LEU  87  -5.724 -16.211  12.244
  668    HG   LEU  87           HG       LEU  87  -8.378 -16.344  10.742
  669   HD11  LEU  87          HD11      LEU  87  -6.460 -16.643   9.270
  670   HD12  LEU  87          HD12      LEU  87  -5.780 -17.879  10.347
  671   HD13  LEU  87          HD13      LEU  87  -7.311 -18.181   9.494
  672   HD21  LEU  87          HD21      LEU  87  -8.569 -17.489  12.889
  673   HD22  LEU  87          HD22      LEU  87  -8.463 -18.681  11.595
  674   HD23  LEU  87          HD23      LEU  87  -7.038 -18.352  12.607
  675    HA   PRO  88           HA       PRO  88  -5.115 -12.387  15.589
  676    HB2  PRO  88           HB2      PRO  88  -4.342 -14.855  17.154
  677    HB3  PRO  88           HB3      PRO  88  -4.670 -13.202  17.758
  678    HG2  PRO  88           HG2      PRO  88  -6.528 -15.163  18.031
  679    HG3  PRO  88           HG3      PRO  88  -7.025 -13.510  17.542
  680    HD2  PRO  88           HD2      PRO  88  -6.629 -15.943  15.791
  681    HD3  PRO  88           HD3      PRO  88  -7.931 -14.718  15.750
  682    H    CYS  89           H        CYS  89  -2.773 -12.089  15.504
  683    HA   CYS  89           HA       CYS  89  -1.596 -13.032  13.222
  684    HB2  CYS  89           HB2      CYS  89  -0.119 -12.098  15.719
  685    HB3  CYS  89           HB3      CYS  89   0.515 -12.115  14.065
  686    HG   CYS  89           HG       CYS  89  -0.071  -9.656  14.748
  687    H    SER  90           H        SER  90  -1.064 -14.416  16.519
  688    HA   SER  90           HA       SER  90   0.865 -16.288  15.869
  689    HB2  SER  90           HB2      SER  90  -1.398 -16.739  17.844
  690    HB3  SER  90           HB3      SER  90   0.262 -17.359  17.927
  691    HG   SER  90           HG       SER  90  -0.052 -15.538  19.286
  692    H    LYS  91           H        LYS  91  -2.669 -16.596  15.445
  693    HA   LYS  91           HA       LYS  91  -2.639 -19.381  14.758
  694    HB2  LYS  91           HB2      LYS  91  -4.695 -17.257  14.052
  695    HB3  LYS  91           HB3      LYS  91  -4.908 -18.998  13.913
  696    HG2  LYS  91           HG2      LYS  91  -4.556 -17.421  16.496
  697    HG3  LYS  91           HG3      LYS  91  -6.039 -18.158  15.883
  698    HD2  LYS  91           HD2      LYS  91  -4.972 -20.418  16.074
  699    HD3  LYS  91           HD3      LYS  91  -3.549 -19.649  16.820
  700    HE2  LYS  91           HE2      LYS  91  -4.984 -18.724  18.618
  701    HE3  LYS  91           HE3      LYS  91  -6.404 -19.475  17.881
  702    HZ1  LYS  91           HZ1      LYS  91  -5.394 -21.644  18.296
  703    HZ2  LYS  91           HZ2      LYS  91  -4.080 -20.950  18.982
  704    HZ3  LYS  91           HZ3      LYS  91  -5.540 -20.813  19.687
  705    H    ILE  92           H        ILE  92  -2.116 -16.387  12.881
  706    HA   ILE  92           HA       ILE  92  -2.306 -17.658  10.302
  707    HB   ILE  92           HB       ILE  92  -0.666 -15.214  11.094
  708   HG12  ILE  92          HG12      ILE  92  -3.528 -15.292  10.023
  709   HG13  ILE  92          HG13      ILE  92  -3.115 -15.007  11.711
  710   HG21  ILE  92          HG21      ILE  92  -0.851 -14.628   8.692
  711   HG22  ILE  92          HG22      ILE  92  -0.007 -16.147   8.935
  712   HG23  ILE  92          HG23      ILE  92  -1.696 -16.164   8.395
  713   HD11  ILE  92          HD11      ILE  92  -3.507 -12.880  10.746
  714   HD12  ILE  92          HD12      ILE  92  -1.754 -13.016  11.025
  715   HD13  ILE  92          HD13      ILE  92  -2.412 -13.208   9.395
  716    H    ILE  93           H        ILE  93   0.450 -17.007  12.570
  717    HA   ILE  93           HA       ILE  93   2.455 -18.253  11.025
  718    HB   ILE  93           HB       ILE  93   2.332 -18.398  14.064
  719   HG12  ILE  93          HG12      ILE  93   1.847 -16.106  13.661
  720   HG13  ILE  93          HG13      ILE  93   3.487 -16.252  14.226
  721   HG21  ILE  93          HG21      ILE  93   4.118 -19.635  13.029
  722   HG22  ILE  93          HG22      ILE  93   4.623 -18.219  12.083
  723   HG23  ILE  93          HG23      ILE  93   4.787 -18.223  13.857
  724   HD11  ILE  93          HD11      ILE  93   3.246 -14.574  12.442
  725   HD12  ILE  93          HD12      ILE  93   4.360 -15.869  11.982
  726   HD13  ILE  93          HD13      ILE  93   2.710 -15.820  11.302
  727    H    GLN  94           H        GLN  94   0.306 -19.606  13.538
  728    HA   GLN  94           HA       GLN  94   1.185 -22.265  13.552
  729    HB2  GLN  94           HB2      GLN  94  -1.509 -20.967  14.076
  730    HB3  GLN  94           HB3      GLN  94  -1.309 -22.702  14.213
  731    HG2  GLN  94           HG2      GLN  94   0.233 -20.608  15.804
  732    HG3  GLN  94           HG3      GLN  94  -1.134 -21.552  16.382
  733   HE21  GLN  94          HE22      GLN  94  -0.576 -24.159  15.544
  734   HE22  GLN  94          HE21      GLN  94   0.918 -24.700  16.263
  735    H    ARG  95           H        ARG  95  -1.329 -20.757  11.472
  736    HA   ARG  95           HA       ARG  95  -1.988 -23.149  10.031
  737    HB2  ARG  95           HB2      ARG  95  -2.139 -20.185   9.306
  738    HB3  ARG  95           HB3      ARG  95  -2.699 -21.443   8.218
  739    HG2  ARG  95           HG2      ARG  95  -3.781 -21.455  11.034
  740    HG3  ARG  95           HG3      ARG  95  -4.340 -20.193   9.940
  741    HD2  ARG  95           HD2      ARG  95  -4.424 -23.154   9.252
  742    HD3  ARG  95           HD3      ARG  95  -5.766 -22.286  10.014
  743    HE   ARG  95           HE       ARG  95  -5.481 -20.694   7.953
  744   HH11  ARG  95          HH21      ARG  95  -5.429 -24.252   7.906
  745   HH12  ARG  95          HH22      ARG  95  -5.970 -24.362   6.269
  746   HH21  ARG  95          HH11      ARG  95  -6.219 -20.858   5.805
  747   HH22  ARG  95          HH12      ARG  95  -6.348 -22.408   5.020
  748    H    ALA  96           H        ALA  96   0.331 -20.489   9.273
  749    HA   ALA  96           HA       ALA  96   1.216 -21.542   6.841
  750    HB1  ALA  96           HB1      ALA  96   3.135 -20.060   7.094
  751    HB2  ALA  96           HB2      ALA  96   1.708 -19.233   7.740
  752    HB3  ALA  96           HB3      ALA  96   2.891 -19.954   8.846
  753    H    GLU  97           H        GLU  97   2.644 -22.065  10.096
  754    HA   GLU  97           HA       GLU  97   4.683 -23.763   9.016
  755    HB2  GLU  97           HB2      GLU  97   5.464 -24.090  11.213
  756    HB3  GLU  97           HB3      GLU  97   4.939 -22.414  11.094
  757    HG2  GLU  97           HG2      GLU  97   2.864 -22.969  12.316
  758    HG3  GLU  97           HG3      GLU  97   3.315 -24.668  12.371
  759    H    GLU  98           H        GLU  98   1.334 -24.535   9.851
  760    HA   GLU  98           HA       GLU  98   1.822 -27.334  10.311
  761    HB2  GLU  98           HB2      GLU  98  -0.049 -26.332  11.374
  762    HB3  GLU  98           HB3      GLU  98  -0.552 -25.474   9.912
  763    HG2  GLU  98           HG2      GLU  98  -1.242 -27.454   8.843
  764    HG3  GLU  98           HG3      GLU  98  -0.575 -28.477  10.133
  765    H    LEU  99           H        LEU  99   1.361 -25.078   7.648
  766    HA   LEU  99           HA       LEU  99   0.746 -27.275   5.786
  767    HB2  LEU  99           HB2      LEU  99   0.456 -24.272   5.562
  768    HB3  LEU  99           HB3      LEU  99  -0.013 -25.426   4.308
  769    HG   LEU  99           HG       LEU  99  -1.118 -25.463   7.166
  770   HD11  LEU  99          HD11      LEU  99  -1.849 -23.453   6.135
  771   HD12  LEU  99          HD12      LEU  99  -2.308 -24.284   4.624
  772   HD13  LEU  99          HD13      LEU  99  -3.208 -24.570   6.134
  773   HD21  LEU  99          HD21      LEU  99  -2.002 -26.942   4.636
  774   HD22  LEU  99          HD22      LEU  99  -1.320 -27.675   6.108
  775   HD23  LEU  99          HD23      LEU  99  -2.901 -26.913   6.168
  776    H    VAL 100           H        VAL 100   3.546 -25.273   6.471
  777    HA   VAL 100           HA       VAL 100   4.877 -25.500   3.985
  778    HB   VAL 100           HB       VAL 100   5.878 -25.661   6.852
  779   HG11  VAL 100          HG11      VAL 100   8.154 -25.156   5.954
  780   HG12  VAL 100          HG12      VAL 100   7.598 -26.765   5.493
  781   HG13  VAL 100          HG13      VAL 100   7.553 -25.442   4.305
  782   HG21  VAL 100          HG21      VAL 100   4.874 -23.478   5.975
  783   HG22  VAL 100          HG22      VAL 100   6.539 -23.373   6.534
  784   HG23  VAL 100          HG23      VAL 100   6.178 -23.433   4.790
  785    H    GLY 101           H        GLY 101   5.787 -27.172   2.856
  786    HA2  GLY 101           HA2      GLY 101   6.710 -29.276   2.539
  787    HA3  GLY 101           HA3      GLY 101   6.024 -29.855   4.062
  788    H    GLN 102           H        GLN 102   3.429 -28.288   2.656
  789    HA   GLN 102           HA       GLN 102   2.232 -30.763   1.662
  790    HB2  GLN 102           HB2      GLN 102   1.376 -27.873   1.993
  791    HB3  GLN 102           HB3      GLN 102   0.461 -28.912   0.940
  792    HG2  GLN 102           HG2      GLN 102  -0.228 -28.632   3.445
  793    HG3  GLN 102           HG3      GLN 102  -0.446 -30.149   2.575
  794   HE21  GLN 102          HE22      GLN 102   2.088 -28.563   4.634
  795   HE22  GLN 102          HE21      GLN 102   2.414 -29.993   5.588
  796    H    GLU 103           H        GLU 103   1.305 -30.868  -0.514
  797    HA   GLU 103           HA       GLU 103   3.042 -29.590  -2.562
  798    HB2  GLU 103           HB2      GLU 103   2.030 -32.463  -2.654
  799    HB3  GLU 103           HB3      GLU 103   3.209 -31.693  -3.715
  800    HG2  GLU 103           HG2      GLU 103   4.826 -31.624  -1.801
  801    HG3  GLU 103           HG3      GLU 103   3.630 -32.400  -0.773
  802    H    VAL 104           H        VAL 104   1.879 -28.983  -4.472
  803    HA   VAL 104           HA       VAL 104  -1.002 -29.640  -4.580
  804    HB   VAL 104           HB       VAL 104  -1.288 -27.240  -5.217
  805   HG11  VAL 104          HG11      VAL 104  -0.453 -27.690  -2.320
  806   HG12  VAL 104          HG12      VAL 104  -1.534 -26.419  -2.917
  807   HG13  VAL 104          HG13      VAL 104  -2.031 -28.115  -3.017
  808   HG21  VAL 104          HG21      VAL 104   0.248 -25.531  -4.424
  809   HG22  VAL 104          HG22      VAL 104   1.375 -26.755  -3.823
  810   HG23  VAL 104          HG23      VAL 104   1.059 -26.600  -5.570
  811    H    LEU 105           H        LEU 105  -1.860 -29.613  -6.659
  812    HA   LEU 105           HA       LEU 105   0.213 -30.063  -8.728
  813    HB2  LEU 105           HB2      LEU 105  -2.738 -30.810  -8.650
  814    HB3  LEU 105           HB3      LEU 105  -1.623 -31.218  -9.950
  815    HG   LEU 105           HG       LEU 105  -1.431 -32.217  -7.078
  816   HD11  LEU 105          HD11      LEU 105  -3.277 -33.210  -8.377
  817   HD12  LEU 105          HD12      LEU 105  -2.140 -33.663  -9.665
  818   HD13  LEU 105          HD13      LEU 105  -2.006 -34.396  -8.050
  819   HD21  LEU 105          HD21      LEU 105   0.832 -32.046  -7.979
  820   HD22  LEU 105          HD22      LEU 105   0.344 -33.739  -7.964
  821   HD23  LEU 105          HD23      LEU 105   0.330 -32.834  -9.494
  822    H    TYR 106           H        TYR 106  -1.558 -27.416  -7.802
  823    HA   TYR 106           HA       TYR 106  -2.055 -26.461 -10.530
  824    HB2  TYR 106           HB2      TYR 106  -2.721 -24.368  -9.484
  825    HB3  TYR 106           HB3      TYR 106  -3.654 -25.735  -8.935
  826    HD1  TYR 106           HD2      TYR 106  -0.736 -23.566  -7.918
  827    HD2  TYR 106           HD1      TYR 106  -4.033 -26.041  -6.635
  828    HE1  TYR 106           HE2      TYR 106  -0.387 -22.814  -5.592
  829    HE2  TYR 106           HE1      TYR 106  -3.703 -25.277  -4.304
  830    HH   TYR 106           HH       TYR 106  -1.162 -22.911  -3.394
  831    H    LYS 107           H        LYS 107  -0.846 -24.704 -11.439
  832    HA   LYS 107           HA       LYS 107   1.982 -24.874 -11.055
  833    HB2  LYS 107           HB2      LYS 107   0.915 -24.815 -13.234
  834    HB3  LYS 107           HB3      LYS 107  -0.134 -23.473 -12.761
  835    HG2  LYS 107           HG2      LYS 107   1.565 -21.924 -12.821
  836    HG3  LYS 107           HG3      LYS 107   2.835 -23.153 -13.069
  837    HD2  LYS 107           HD2      LYS 107   1.818 -23.722 -15.271
  838    HD3  LYS 107           HD3      LYS 107   0.553 -22.503 -14.998
  839    HE2  LYS 107           HE2      LYS 107   2.318 -20.736 -14.879
  840    HE3  LYS 107           HE3      LYS 107   3.547 -21.962 -15.219
  841    HZ1  LYS 107           HZ1      LYS 107   2.886 -20.777 -17.228
  842    HZ2  LYS 107           HZ2      LYS 107   2.475 -22.347 -17.367
  843    HZ3  LYS 107           HZ3      LYS 107   1.331 -21.223 -17.050
  844    H    LEU 108           H        LEU 108   3.300 -22.981 -10.653
  845    HA   LEU 108           HA       LEU 108   2.281 -21.208  -8.558
  846    HB2  LEU 108           HB2      LEU 108   4.868 -21.009 -10.175
  847    HB3  LEU 108           HB3      LEU 108   4.376 -19.953  -8.869
  848    HG   LEU 108           HG       LEU 108   4.232 -22.181  -7.451
  849   HD11  LEU 108          HD11      LEU 108   5.964 -23.825  -8.083
  850   HD12  LEU 108          HD12      LEU 108   4.750 -23.745  -9.356
  851   HD13  LEU 108          HD13      LEU 108   6.311 -22.934  -9.573
  852   HD21  LEU 108          HD21      LEU 108   6.571 -21.829  -6.771
  853   HD22  LEU 108          HD22      LEU 108   6.865 -20.857  -8.229
  854   HD23  LEU 108          HD23      LEU 108   5.726 -20.296  -6.981
  855    H    THR 109           H        THR 109   1.030 -19.432  -8.976
  856    HA   THR 109           HA       THR 109   1.666 -17.749 -11.279
  857    HB   THR 109           HB       THR 109  -0.700 -17.384 -11.822
  858    HG1  THR 109           HG1      THR 109  -2.255 -18.847 -11.010
  859   HG21  THR 109          HG21      THR 109   0.541 -19.154 -13.109
  860   HG22  THR 109          HG22      THR 109  -0.154 -20.376 -12.015
  861   HG23  THR 109          HG23      THR 109  -1.211 -19.399 -13.052
  862    H    SER 110           H        SER 110   0.967 -15.505 -10.809
  863    HA   SER 110           HA       SER 110   1.254 -14.634  -8.193
  864    HB2  SER 110           HB2      SER 110  -0.466 -13.299 -10.324
  865    HB3  SER 110           HB3      SER 110   0.484 -12.517  -9.043
  866    HG   SER 110           HG       SER 110   2.328 -13.078 -10.032
  867    H    GLU 111           H        GLU 111  -1.749 -15.561  -9.941
  868    HA   GLU 111           HA       GLU 111  -3.579 -14.766  -7.916
  869    HB2  GLU 111           HB2      GLU 111  -4.047 -15.153 -10.363
  870    HB3  GLU 111           HB3      GLU 111  -3.812 -16.879 -10.108
  871    HG2  GLU 111           HG2      GLU 111  -6.152 -16.471 -10.137
  872    HG3  GLU 111           HG3      GLU 111  -5.723 -16.860  -8.477
  873    H    ASN 112           H        ASN 112  -2.072 -17.995  -8.687
  874    HA   ASN 112           HA       ASN 112  -3.594 -19.365  -6.669
  875    HB2  ASN 112           HB2      ASN 112  -1.041 -20.078  -8.167
  876    HB3  ASN 112           HB3      ASN 112  -1.748 -21.125  -6.946
  877   HD21  ASN 112          HD22      ASN 112  -1.408 -21.717  -9.816
  878   HD22  ASN 112          HD21      ASN 112  -3.022 -22.022 -10.430
  879    H    CYS 113           H        CYS 113  -0.346 -17.829  -6.625
  880    HA   CYS 113           HA       CYS 113   0.270 -18.747  -3.972
  881    HB2  CYS 113           HB2      CYS 113   1.298 -16.332  -5.525
  882    HB3  CYS 113           HB3      CYS 113   2.022 -17.009  -4.050
  883    HG   CYS 113           HG       CYS 113   3.410 -17.683  -6.194
  884    H    GLU 114           H        GLU 114  -1.246 -15.698  -5.233
  885    HA   GLU 114           HA       GLU 114  -1.546 -14.382  -2.764
  886    HB2  GLU 114           HB2      GLU 114  -1.916 -13.414  -5.036
  887    HB3  GLU 114           HB3      GLU 114  -3.430 -14.309  -5.159
  888    HG2  GLU 114           HG2      GLU 114  -4.259 -13.115  -3.132
  889    HG3  GLU 114           HG3      GLU 114  -2.758 -12.196  -3.065
  890    H    HIS 115           H        HIS 115  -3.662 -16.714  -4.436
  891    HA   HIS 115           HA       HIS 115  -5.879 -16.706  -2.712
  892    HB2  HIS 115           HB2      HIS 115  -5.930 -17.696  -4.912
  893    HB3  HIS 115           HB3      HIS 115  -4.646 -18.821  -4.518
  894    HD2  HIS 115           HD2      HIS 115  -5.266 -20.871  -2.754
  895    HE1  HIS 115           HE1      HIS 115  -9.416 -20.815  -3.708
  896    HE2  HIS 115           HE2      HIS 115  -7.552 -22.151  -2.603
  897    H    PHE 116           H        PHE 116  -2.967 -18.893  -2.668
  898    HA   PHE 116           HA       PHE 116  -3.823 -20.272  -0.360
  899    HB2  PHE 116           HB2      PHE 116  -2.135 -21.254  -1.745
  900    HB3  PHE 116           HB3      PHE 116  -1.135 -19.807  -1.691
  901    HD1  PHE 116           HD2      PHE 116  -2.196 -22.811   0.255
  902    HD2  PHE 116           HD1      PHE 116   0.367 -19.348   0.142
  903    HE1  PHE 116           HE2      PHE 116  -0.935 -23.665   2.218
  904    HE2  PHE 116           HE1      PHE 116   1.565 -20.147   2.149
  905    HZ   PHE 116           HZ       PHE 116   0.939 -22.341   3.170
  906    H    VAL 117           H        VAL 117  -1.526 -17.485  -0.580
  907    HA   VAL 117           HA       VAL 117  -1.088 -17.547   2.238
  908    HB   VAL 117           HB       VAL 117  -0.069 -15.379   2.081
  909   HG11  VAL 117          HG11      VAL 117   0.695 -17.109  -0.301
  910   HG12  VAL 117          HG12      VAL 117   1.700 -15.900   0.491
  911   HG13  VAL 117          HG13      VAL 117   1.219 -17.349   1.387
  912   HG21  VAL 117          HG21      VAL 117  -1.595 -14.221   0.491
  913   HG22  VAL 117          HG22      VAL 117   0.104 -14.091   0.029
  914   HG23  VAL 117          HG23      VAL 117  -0.958 -15.230  -0.817
  915    H    ASN 118           H        ASN 118  -3.664 -15.957   0.360
  916    HA   ASN 118           HA       ASN 118  -4.656 -14.434   2.604
  917    HB2  ASN 118           HB2      ASN 118  -5.833 -15.247  -0.062
  918    HB3  ASN 118           HB3      ASN 118  -6.873 -14.612   1.215
  919   HD21  ASN 118          HD22      ASN 118  -3.949 -13.807  -0.702
  920   HD22  ASN 118          HD21      ASN 118  -4.041 -12.077  -0.396
  921    H    GLU 119           H        GLU 119  -5.229 -17.780   1.471
  922    HA   GLU 119           HA       GLU 119  -7.238 -18.430   3.310
  923    HB2  GLU 119           HB2      GLU 119  -5.899 -19.778   1.318
  924    HB3  GLU 119           HB3      GLU 119  -5.119 -20.475   2.747
  925    HG2  GLU 119           HG2      GLU 119  -7.616 -20.701   3.599
  926    HG3  GLU 119           HG3      GLU 119  -7.998 -20.510   1.885
  927    H    LEU 120           H        LEU 120  -3.715 -18.147   3.822
  928    HA   LEU 120           HA       LEU 120  -3.849 -19.305   6.479
  929    HB2  LEU 120           HB2      LEU 120  -1.737 -17.478   5.306
  930    HB3  LEU 120           HB3      LEU 120  -1.567 -18.488   6.742
  931    HG   LEU 120           HG       LEU 120  -1.882 -19.450   3.868
  932   HD11  LEU 120          HD11      LEU 120   0.519 -20.240   4.346
  933   HD12  LEU 120          HD12      LEU 120   0.273 -18.497   4.154
  934   HD13  LEU 120          HD13      LEU 120   0.471 -19.213   5.775
  935   HD21  LEU 120          HD21      LEU 120  -2.852 -21.090   5.456
  936   HD22  LEU 120          HD22      LEU 120  -1.359 -21.678   4.724
  937   HD23  LEU 120          HD23      LEU 120  -1.331 -21.060   6.391
  938    H    ARG 121           H        ARG 121  -3.671 -16.007   5.106
  939    HA   ARG 121           HA       ARG 121  -3.429 -14.754   7.665
  940    HB2  ARG 121           HB2      ARG 121  -2.816 -14.083   5.118
  941    HB3  ARG 121           HB3      ARG 121  -4.317 -13.187   5.245
  942    HG2  ARG 121           HG2      ARG 121  -1.945 -13.000   7.140
  943    HG3  ARG 121           HG3      ARG 121  -2.200 -11.924   5.778
  944    HD2  ARG 121           HD2      ARG 121  -4.308 -11.118   6.761
  945    HD3  ARG 121           HD3      ARG 121  -4.036 -12.139   8.185
  946    HE   ARG 121           HE       ARG 121  -1.716 -10.724   8.032
  947   HH11  ARG 121          HH21      ARG 121  -5.161  -9.893   8.371
  948   HH12  ARG 121          HH22      ARG 121  -4.817  -8.361   9.161
  949   HH21  ARG 121          HH11      ARG 121  -1.347  -8.511   8.963
  950   HH22  ARG 121          HH12      ARG 121  -2.777  -7.668   9.513
  951    H    TYR 122           H        TYR 122  -6.207 -15.354   5.539
  952    HA   TYR 122           HA       TYR 122  -7.999 -14.135   7.596
  953    HB2  TYR 122           HB2      TYR 122  -8.425 -14.174   4.596
  954    HB3  TYR 122           HB3      TYR 122  -9.413 -13.357   5.795
  955    HD1  TYR 122           HD2      TYR 122  -8.415 -11.363   7.098
  956    HD2  TYR 122           HD1      TYR 122  -6.555 -13.095   3.616
  957    HE1  TYR 122           HE2      TYR 122  -7.072  -9.297   6.786
  958    HE2  TYR 122           HE1      TYR 122  -5.195 -11.058   3.317
  959    HH   TYR 122           HH       TYR 122  -4.554  -9.032   4.254
  960    H    GLY 123           H        GLY 123  -7.120 -17.144   6.585
  961    HA2  GLY 123           HA2      GLY 123  -8.123 -19.083   7.318
  962    HA3  GLY 123           HA3      GLY 123  -9.635 -18.214   7.612
  963    H    VAL 124           H        VAL 124  -9.421 -17.113   4.713
  964    HA   VAL 124           HA       VAL 124  -9.645 -19.457   3.017
  965    HB   VAL 124           HB       VAL 124 -11.876 -19.323   4.030
  966   HG11  VAL 124          HG11      VAL 124 -13.419 -17.486   3.626
  967   HG12  VAL 124          HG12      VAL 124 -12.024 -16.912   4.546
  968   HG13  VAL 124          HG13      VAL 124 -12.152 -16.550   2.811
  969   HG21  VAL 124          HG21      VAL 124 -11.627 -20.135   1.722
  970   HG22  VAL 124          HG22      VAL 124 -13.197 -19.371   2.007
  971   HG23  VAL 124          HG23      VAL 124 -11.944 -18.495   1.110
  972    H    ALA 125           H        ALA 125  -9.127 -18.860   0.869
  973    HA   ALA 125           HA       ALA 125  -7.758 -16.545   0.257
  974    HB1  ALA 125           HB1      ALA 125  -7.790 -18.579  -1.136
  975    HB2  ALA 125           HB2      ALA 125  -9.478 -18.242  -1.592
  976    HB3  ALA 125           HB3      ALA 125  -8.189 -17.131  -2.085
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1  -1.912  -2.282  -1.635
    2    H2   MET   1           H2       MET   1  -1.210  -1.061  -2.467
    3    H3   MET   1           H3       MET   1  -0.570  -2.570  -2.525
    4    HA   MET   1           HA       MET   1  -0.046  -2.485  -0.169
    5    HB2  MET   1           HB2      MET   1   1.686  -1.864  -1.809
    6    HB3  MET   1           HB3      MET   1   1.131  -0.186  -1.797
    7    HG2  MET   1           HG2      MET   1   1.704  -0.035   0.619
    8    HG3  MET   1           HG3      MET   1   2.237  -1.718   0.589
    9    HE1  MET   1           HE1      MET   1   3.050   1.992  -0.099
   10    HE2  MET   1           HE2      MET   1   4.460   1.934  -1.180
   11    HE3  MET   1           HE3      MET   1   2.859   1.472  -1.791
   12    H    ARG   2           H        ARG   2  -1.601  -1.972   1.421
   13    HA   ARG   2           HA       ARG   2  -3.004   0.533   1.388
   14    HB2  ARG   2           HB2      ARG   2  -3.722  -1.737   2.427
   15    HB3  ARG   2           HB3      ARG   2  -2.735  -1.276   3.824
   16    HG2  ARG   2           HG2      ARG   2  -4.109   0.858   3.985
   17    HG3  ARG   2           HG3      ARG   2  -5.068   0.281   2.619
   18    HD2  ARG   2           HD2      ARG   2  -6.366  -0.276   4.478
   19    HD3  ARG   2           HD3      ARG   2  -5.594  -1.797   4.042
   20    HE   ARG   2           HE       ARG   2  -4.412  -1.780   6.054
   21   HH11  ARG   2          HH11      ARG   2  -5.923   1.433   5.659
   22   HH12  ARG   2          HH12      ARG   2  -5.651   1.878   7.302
   23   HH21  ARG   2          HH21      ARG   2  -4.106  -1.239   8.101
   24   HH22  ARG   2          HH22      ARG   2  -4.540   0.325   8.767
   25    H    ALA   3           H        ALA   3  -0.024  -0.534   2.982
   26    HA   ALA   3           HA       ALA   3   0.565   2.195   3.895
   27    HB1  ALA   3           HB1      ALA   3   1.164   1.306   6.167
   28    HB2  ALA   3           HB2      ALA   3  -0.565   1.121   5.834
   29    HB3  ALA   3           HB3      ALA   3   0.525  -0.279   5.706
   30    HA   PRO   4           HA       PRO   4   4.546   0.734   2.461
   31    HB2  PRO   4           HB2      PRO   4   6.345   2.291   3.823
   32    HB3  PRO   4           HB3      PRO   4   5.219   2.938   2.604
   33    HG2  PRO   4           HG2      PRO   4   4.913   2.973   5.619
   34    HG3  PRO   4           HG3      PRO   4   4.678   4.311   4.458
   35    HD2  PRO   4           HD2      PRO   4   2.606   2.782   5.406
   36    HD3  PRO   4           HD3      PRO   4   2.594   3.495   3.766
   37    H    ILE   5           H        ILE   5   6.929   0.308   3.786
   38    HA   ILE   5           HA       ILE   5   6.246  -1.808   5.765
   39    HB   ILE   5           HB       ILE   5   8.175  -3.060   4.836
   40   HG12  ILE   5          HG12      ILE   5   8.086  -1.106   2.483
   41   HG13  ILE   5          HG13      ILE   5   9.354  -1.111   3.704
   42   HG21  ILE   5          HG21      ILE   5   6.915  -4.000   3.049
   43   HG22  ILE   5          HG22      ILE   5   5.744  -3.379   4.220
   44   HG23  ILE   5          HG23      ILE   5   6.059  -2.465   2.732
   45   HD11  ILE   5          HD11      ILE   5  10.142  -2.308   1.771
   46   HD12  ILE   5          HD12      ILE   5   9.913  -3.472   3.091
   47   HD13  ILE   5          HD13      ILE   5   8.729  -3.372   1.765
   48    HA   PRO   6           HA       PRO   6   9.359   1.039   7.737
   49    HB2  PRO   6           HB2      PRO   6   7.951   2.262   9.686
   50    HB3  PRO   6           HB3      PRO   6   7.838   2.818   7.980
   51    HG2  PRO   6           HG2      PRO   6   5.891   1.042   9.463
   52    HG3  PRO   6           HG3      PRO   6   5.553   2.466   8.434
   53    HD2  PRO   6           HD2      PRO   6   5.495  -0.156   7.518
   54    HD3  PRO   6           HD3      PRO   6   5.866   1.269   6.492
   55    H    GLU   7           H        GLU   7   6.737  -0.904   9.129
   56    HA   GLU   7           HA       GLU   7   8.570  -2.481  10.809
   57    HB2  GLU   7           HB2      GLU   7   6.173  -0.961  11.940
   58    HB3  GLU   7           HB3      GLU   7   7.176  -2.130  12.809
   59    HG2  GLU   7           HG2      GLU   7   9.139  -0.590  12.481
   60    HG3  GLU   7           HG3      GLU   7   8.027   0.597  11.774
   61    HA   PRO   8           HA       PRO   8   5.066  -4.966   8.726
   62    HB2  PRO   8           HB2      PRO   8   7.533  -6.657   8.305
   63    HB3  PRO   8           HB3      PRO   8   6.097  -6.488   7.252
   64    HG2  PRO   8           HG2      PRO   8   8.402  -5.203   6.635
   65    HG3  PRO   8           HG3      PRO   8   6.831  -4.348   6.484
   66    HD2  PRO   8           HD2      PRO   8   8.849  -4.172   8.740
   67    HD3  PRO   8           HD3      PRO   8   7.958  -2.868   7.900
   68    H    LYS   9           H        LYS   9   4.218  -6.922   9.731
   69    HA   LYS   9           HA       LYS   9   5.701  -7.831  12.169
   70    HB2  LYS   9           HB2      LYS   9   2.709  -7.408  11.845
   71    HB3  LYS   9           HB3      LYS   9   3.492  -8.196  13.223
   72    HG2  LYS   9           HG2      LYS   9   4.790  -6.095  13.661
   73    HG3  LYS   9           HG3      LYS   9   3.884  -5.288  12.375
   74    HD2  LYS   9           HD2      LYS   9   2.676  -6.507  14.895
   75    HD3  LYS   9           HD3      LYS   9   3.009  -4.788  14.634
   76    HE2  LYS   9           HE2      LYS   9   1.450  -4.786  12.687
   77    HE3  LYS   9           HE3      LYS   9   1.078  -6.488  12.989
   78    HZ1  LYS   9           HZ1      LYS   9   0.531  -4.266  14.871
   79    HZ2  LYS   9           HZ2      LYS   9  -0.580  -5.039  13.966
   80    HZ3  LYS   9           HZ3      LYS   9   0.192  -5.841  15.155
   81    HA   PRO  10           HA       PRO  10   5.244 -11.950  10.395
   82    HB2  PRO  10           HB2      PRO  10   4.793 -12.580  13.325
   83    HB3  PRO  10           HB3      PRO  10   5.743 -13.503  12.113
   84    HG2  PRO  10           HG2      PRO  10   7.015 -11.879  13.853
   85    HG3  PRO  10           HG3      PRO  10   7.472 -11.813  12.116
   86    HD2  PRO  10           HD2      PRO  10   5.648  -9.947  13.650
   87    HD3  PRO  10           HD3      PRO  10   6.941  -9.566  12.467
   88    H    GLY  11           H        GLY  11   3.452 -13.037   9.642
   89    HA2  GLY  11           HA2      GLY  11   1.199 -13.718   9.614
   90    HA3  GLY  11           HA3      GLY  11   0.765 -12.433  10.752
   91    H    ASP  12           H        ASP  12   2.776 -10.725   8.758
   92    HA   ASP  12           HA       ASP  12   0.543  -9.670   7.209
   93    HB2  ASP  12           HB2      ASP  12   3.477  -8.949   7.404
   94    HB3  ASP  12           HB3      ASP  12   2.421  -8.251   6.183
   95    H    LEU  13           H        LEU  13   0.107  -9.764   5.106
   96    HA   LEU  13           HA       LEU  13   1.215 -11.909   3.457
   97    HB2  LEU  13           HB2      LEU  13  -0.480  -9.472   2.710
   98    HB3  LEU  13           HB3      LEU  13  -0.004 -10.775   1.640
   99    HG   LEU  13           HG       LEU  13  -2.120 -10.861   3.813
  100   HD11  LEU  13          HD11      LEU  13  -2.645 -10.124   1.501
  101   HD12  LEU  13          HD12      LEU  13  -2.091 -11.699   0.907
  102   HD13  LEU  13          HD13      LEU  13  -3.487 -11.601   2.008
  103   HD21  LEU  13          HD21      LEU  13  -2.267 -13.318   3.286
  104   HD22  LEU  13          HD22      LEU  13  -0.679 -13.179   2.496
  105   HD23  LEU  13          HD23      LEU  13  -0.838 -12.873   4.233
  106    H    ILE  14           H        ILE  14   2.848 -11.708   1.996
  107    HA   ILE  14           HA       ILE  14   4.108  -9.038   1.568
  108    HB   ILE  14           HB       ILE  14   5.324 -11.832   1.647
  109   HG12  ILE  14          HG12      ILE  14   4.897 -11.041   3.903
  110   HG13  ILE  14          HG13      ILE  14   6.614 -11.155   3.572
  111   HG21  ILE  14          HG21      ILE  14   6.611  -9.168   0.963
  112   HG22  ILE  14          HG22      ILE  14   7.532 -10.638   1.368
  113   HG23  ILE  14          HG23      ILE  14   6.489 -10.610  -0.055
  114   HD11  ILE  14          HD11      ILE  14   6.073  -9.136   4.877
  115   HD12  ILE  14          HD12      ILE  14   6.762  -8.697   3.306
  116   HD13  ILE  14          HD13      ILE  14   5.010  -8.565   3.581
  117    H    GLU  15           H        GLU  15   4.449  -8.513  -0.559
  118    HA   GLU  15           HA       GLU  15   3.901 -10.590  -2.593
  119    HB2  GLU  15           HB2      GLU  15   2.905  -9.119  -4.061
  120    HB3  GLU  15           HB3      GLU  15   2.075  -8.838  -2.528
  121    HG2  GLU  15           HG2      GLU  15   3.537  -6.797  -2.178
  122    HG3  GLU  15           HG3      GLU  15   4.267  -7.097  -3.753
  123    H    ILE  16           H        ILE  16   5.355 -10.546  -4.259
  124    HA   ILE  16           HA       ILE  16   7.961  -9.218  -3.704
  125    HB   ILE  16           HB       ILE  16   7.369 -11.901  -5.008
  126   HG12  ILE  16          HG12      ILE  16   6.746 -12.067  -2.611
  127   HG13  ILE  16          HG13      ILE  16   8.044 -13.121  -3.119
  128   HG21  ILE  16          HG21      ILE  16   9.853 -12.241  -4.640
  129   HG22  ILE  16          HG22      ILE  16   9.425 -10.976  -5.803
  130   HG23  ILE  16          HG23      ILE  16   9.923 -10.515  -4.181
  131   HD11  ILE  16          HD11      ILE  16   8.469 -12.141  -0.909
  132   HD12  ILE  16          HD12      ILE  16   9.712 -11.648  -2.071
  133   HD13  ILE  16          HD13      ILE  16   8.418 -10.513  -1.616
  134    H    PHE  17           H        PHE  17   8.288  -7.730  -5.302
  135    HA   PHE  17           HA       PHE  17   6.767  -7.927  -7.866
  136    HB2  PHE  17           HB2      PHE  17   8.446  -5.792  -6.540
  137    HB3  PHE  17           HB3      PHE  17   8.277  -5.815  -8.288
  138    HD1  PHE  17           HD1      PHE  17   5.222  -7.012  -6.629
  139    HD2  PHE  17           HD2      PHE  17   7.391  -3.480  -7.858
  140    HE1  PHE  17           HE1      PHE  17   3.114  -5.749  -6.730
  141    HE2  PHE  17           HE2      PHE  17   5.268  -2.203  -7.877
  142    HZ   PHE  17           HZ       PHE  17   3.119  -3.341  -7.346
  143    H    ARG  18           H        ARG  18   7.643  -8.697  -9.722
  144    HA   ARG  18           HA       ARG  18  10.468  -9.615  -9.624
  145    HB2  ARG  18           HB2      ARG  18   7.868 -11.128 -10.206
  146    HB3  ARG  18           HB3      ARG  18   9.425 -11.728 -10.727
  147    HG2  ARG  18           HG2      ARG  18  10.032 -11.187  -8.143
  148    HG3  ARG  18           HG3      ARG  18   8.308 -11.511  -7.958
  149    HD2  ARG  18           HD2      ARG  18   8.543 -13.704  -8.849
  150    HD3  ARG  18           HD3      ARG  18  10.185 -13.362  -9.465
  151    HE   ARG  18           HE       ARG  18  10.701 -12.987  -6.931
  152   HH11  ARG  18          HH21      ARG  18   8.784 -15.637  -8.340
  153   HH12  ARG  18          HH22      ARG  18   9.157 -16.749  -7.072
  154   HH21  ARG  18          HH11      ARG  18  11.161 -14.432  -5.234
  155   HH22  ARG  18          HH12      ARG  18  10.588 -16.065  -5.304
  156    HA   PRO  19           HA       PRO  19  11.420  -8.172 -13.434
  157    HB2  PRO  19           HB2      PRO  19  11.493 -10.932 -14.683
  158    HB3  PRO  19           HB3      PRO  19  12.674  -9.592 -14.859
  159    HG2  PRO  19           HG2      PRO  19  13.164 -11.578 -13.095
  160    HG3  PRO  19           HG3      PRO  19  13.438  -9.873 -12.606
  161    HD2  PRO  19           HD2      PRO  19  11.129 -11.685 -11.925
  162    HD3  PRO  19           HD3      PRO  19  11.969 -10.493 -10.905
  163    H    PHE  20           H        PHE  20   8.746 -10.476 -13.867
  164    HA   PHE  20           HA       PHE  20   7.571  -8.674 -15.921
  165    HB2  PHE  20           HB2      PHE  20   8.954 -10.576 -16.914
  166    HB3  PHE  20           HB3      PHE  20   7.793 -11.694 -16.220
  167    HD1  PHE  20           HD1      PHE  20   7.960  -8.634 -18.430
  168    HD2  PHE  20           HD2      PHE  20   6.002 -12.395 -17.616
  169    HE1  PHE  20           HE1      PHE  20   6.604  -8.379 -20.492
  170    HE2  PHE  20           HE2      PHE  20   4.654 -12.136 -19.683
  171    HZ   PHE  20           HZ       PHE  20   4.948 -10.127 -21.123
  172    H    TYR  21           H        TYR  21   6.994  -9.794 -12.934
  173    HA   TYR  21           HA       TYR  21   4.155  -9.822 -13.119
  174    HB2  TYR  21           HB2      TYR  21   3.575 -12.012 -12.685
  175    HB3  TYR  21           HB3      TYR  21   4.748 -12.186 -13.957
  176    HD1  TYR  21           HD1      TYR  21   7.376 -12.292 -12.680
  177    HD2  TYR  21           HD2      TYR  21   3.600 -13.804 -11.236
  178    HE1  TYR  21           HE1      TYR  21   8.561 -14.045 -11.401
  179    HE2  TYR  21           HE2      TYR  21   4.777 -15.509  -9.909
  180    HH   TYR  21           HH       TYR  21   6.827 -16.471  -9.396
  181    H    ARG  22           H        ARG  22   3.638 -11.186 -10.657
  182    HA   ARG  22           HA       ARG  22   5.631 -10.322  -8.765
  183    HB2  ARG  22           HB2      ARG  22   4.062  -9.190  -7.227
  184    HB3  ARG  22           HB3      ARG  22   4.344  -8.312  -8.725
  185    HG2  ARG  22           HG2      ARG  22   2.107  -7.993  -8.454
  186    HG3  ARG  22           HG3      ARG  22   2.086  -9.397  -9.516
  187    HD2  ARG  22           HD2      ARG  22   1.803 -10.852  -7.448
  188    HD3  ARG  22           HD3      ARG  22   1.722  -9.377  -6.480
  189    HE   ARG  22           HE       ARG  22  -0.259 -10.355  -8.458
  190   HH11  ARG  22          HH21      ARG  22   0.488  -7.727  -6.054
  191   HH12  ARG  22          HH22      ARG  22  -0.973  -6.913  -6.423
  192   HH21  ARG  22          HH12      ARG  22  -2.269  -9.326  -8.643
  193   HH22  ARG  22          HH11      ARG  22  -2.596  -7.866  -7.800
  194    H    HIS  23           H        HIS  23   5.475 -11.441  -6.846
  195    HA   HIS  23           HA       HIS  23   3.830 -13.921  -6.956
  196    HB2  HIS  23           HB2      HIS  23   6.140 -14.393  -7.634
  197    HB3  HIS  23           HB3      HIS  23   6.783 -13.502  -6.265
  198    HD2  HIS  23           HD2      HIS  23   7.850 -15.134  -4.613
  199    HE1  HIS  23           HE1      HIS  23   4.943 -18.232  -4.639
  200    HE2  HIS  23           HE2      HIS  23   7.123 -17.453  -3.611
  201    H    TRP  24           H        TRP  24   3.995 -14.984  -4.554
  202    HA   TRP  24           HA       TRP  24   3.455 -12.808  -2.600
  203    HB2  TRP  24           HB2      TRP  24   1.496 -14.897  -3.579
  204    HB3  TRP  24           HB3      TRP  24   1.331 -14.091  -2.037
  205    HD1  TRP  24           HD1      TRP  24   1.175 -13.317  -5.796
  206    HE1  TRP  24           HE1      TRP  24  -0.119 -11.142  -6.131
  207    HE3  TRP  24           HE3      TRP  24   0.691 -11.937  -0.924
  208    HZ2  TRP  24           HZ2      TRP  24  -1.399  -9.126  -4.462
  209    HZ3  TRP  24           HZ3      TRP  24  -0.620  -9.902  -0.308
  210    HH2  TRP  24           HH2      TRP  24  -1.675  -8.521  -2.060
  211    H    ALA  25           H        ALA  25   3.584 -13.377  -0.496
  212    HA   ALA  25           HA       ALA  25   4.292 -16.085   0.368
  213    HB1  ALA  25           HB1      ALA  25   6.186 -13.692   0.669
  214    HB2  ALA  25           HB2      ALA  25   6.426 -15.330   1.307
  215    HB3  ALA  25           HB3      ALA  25   6.447 -15.055  -0.435
  216    H    ILE  26           H        ILE  26   4.574 -15.930   2.902
  217    HA   ILE  26           HA       ILE  26   3.134 -13.595   4.031
  218    HB   ILE  26           HB       ILE  26   1.721 -15.653   3.601
  219   HG12  ILE  26          HG12      ILE  26   1.884 -14.740   6.503
  220   HG13  ILE  26          HG13      ILE  26   1.195 -13.785   5.176
  221   HG21  ILE  26          HG21      ILE  26   3.378 -17.373   4.261
  222   HG22  ILE  26          HG22      ILE  26   3.148 -16.904   5.961
  223   HG23  ILE  26          HG23      ILE  26   1.808 -17.572   5.009
  224   HD11  ILE  26          HD11      ILE  26  -0.324 -15.736   4.656
  225   HD12  ILE  26          HD12      ILE  26   0.214 -16.461   6.187
  226   HD13  ILE  26          HD13      ILE  26  -0.647 -14.902   6.198
  227    H    TYR  27           H        TYR  27   4.062 -12.783   5.846
  228    HA   TYR  27           HA       TYR  27   6.778 -13.627   6.435
  229    HB2  TYR  27           HB2      TYR  27   5.679 -11.245   6.230
  230    HB3  TYR  27           HB3      TYR  27   5.084 -11.531   7.847
  231    HD1  TYR  27           HD2      TYR  27   8.490 -12.301   6.329
  232    HD2  TYR  27           HD1      TYR  27   6.205  -9.854   9.029
  233    HE1  TYR  27           HE2      TYR  27  10.559 -11.175   7.045
  234    HE2  TYR  27           HE1      TYR  27   8.281  -8.752   9.808
  235    HH   TYR  27           HH       TYR  27  10.597  -8.580   9.529
  236    H    VAL  28           H        VAL  28   7.417 -14.838   8.190
  237    HA   VAL  28           HA       VAL  28   5.328 -15.579  10.206
  238    HB   VAL  28           HB       VAL  28   6.127 -17.902  10.115
  239   HG11  VAL  28          HG11      VAL  28   4.142 -17.180   8.803
  240   HG12  VAL  28          HG12      VAL  28   5.188 -16.952   7.387
  241   HG13  VAL  28          HG13      VAL  28   4.996 -18.562   8.101
  242   HG21  VAL  28          HG21      VAL  28   7.659 -17.147   7.593
  243   HG22  VAL  28          HG22      VAL  28   8.422 -17.442   9.169
  244   HG23  VAL  28          HG23      VAL  28   7.539 -18.740   8.365
  245    H    GLY  29           H        GLY  29   8.322 -14.172   9.868
  246    HA2  GLY  29           HA2      GLY  29   8.802 -14.173  12.677
  247    HA3  GLY  29           HA3      GLY  29  10.007 -15.168  11.820
  248    H    ASP  30           H        ASP  30  11.078 -12.979  12.917
  249    HA   ASP  30           HA       ASP  30  10.808 -10.588  11.321
  250    HB2  ASP  30           HB2      ASP  30  11.195 -10.522  13.737
  251    HB3  ASP  30           HB3      ASP  30  12.757 -11.320  13.534
  252    H    GLY  31           H        GLY  31  11.337 -12.175   9.389
  253    HA2  GLY  31           HA2      GLY  31  13.339 -11.312   7.870
  254    HA3  GLY  31           HA3      GLY  31  14.214 -12.524   8.819
  255    H    TYR  32           H        TYR  32  11.363 -14.062   8.760
  256    HA   TYR  32           HA       TYR  32  12.076 -15.471   6.220
  257    HB2  TYR  32           HB2      TYR  32  11.292 -16.512   8.955
  258    HB3  TYR  32           HB3      TYR  32  11.194 -17.495   7.504
  259    HD1  TYR  32           HD2      TYR  32  13.565 -15.618   9.678
  260    HD2  TYR  32           HD1      TYR  32  13.116 -18.458   6.456
  261    HE1  TYR  32           HE2      TYR  32  15.977 -16.174   9.843
  262    HE2  TYR  32           HE1      TYR  32  15.527 -19.015   6.607
  263    HH   TYR  32           HH       TYR  32  17.724 -17.466   8.996
  264    H    VAL  33           H        VAL  33  10.509 -16.594   5.113
  265    HA   VAL  33           HA       VAL  33   7.692 -15.839   5.642
  266    HB   VAL  33           HB       VAL  33   7.424 -15.628   3.158
  267   HG11  VAL  33          HG11      VAL  33   7.397 -13.607   4.392
  268   HG12  VAL  33          HG12      VAL  33   9.169 -13.586   4.527
  269   HG13  VAL  33          HG13      VAL  33   8.372 -13.329   2.955
  270   HG21  VAL  33          HG21      VAL  33   9.499 -16.749   2.408
  271   HG22  VAL  33          HG22      VAL  33   9.344 -15.126   1.728
  272   HG23  VAL  33          HG23      VAL  33  10.461 -15.421   3.077
  273    H    VAL  34           H        VAL  34   6.152 -17.214   4.639
  274    HA   VAL  34           HA       VAL  34   7.091 -19.887   3.736
  275    HB   VAL  34           HB       VAL  34   4.665 -18.970   5.320
  276   HG11  VAL  34          HG11      VAL  34   3.669 -20.301   3.572
  277   HG12  VAL  34          HG12      VAL  34   4.905 -21.575   3.770
  278   HG13  VAL  34          HG13      VAL  34   3.712 -21.261   5.053
  279   HG21  VAL  34          HG21      VAL  34   5.362 -20.789   6.819
  280   HG22  VAL  34          HG22      VAL  34   6.652 -21.237   5.686
  281   HG23  VAL  34          HG23      VAL  34   6.699 -19.665   6.509
  282    H    HIS  35           H        HIS  35   6.378 -20.453   1.657
  283    HA   HIS  35           HA       HIS  35   4.359 -18.854   0.304
  284    HB2  HIS  35           HB2      HIS  35   5.708 -17.847  -1.356
  285    HB3  HIS  35           HB3      HIS  35   6.431 -17.416   0.179
  286    HD2  HIS  35           HD2      HIS  35   8.354 -20.029   0.579
  287    HE1  HIS  35           HE1      HIS  35  10.106 -18.717  -3.067
  288    HE2  HIS  35           HE2      HIS  35  10.465 -20.139  -1.014
  289    H    LEU  36           H        LEU  36   4.204 -19.567  -2.084
  290    HA   LEU  36           HA       LEU  36   4.610 -22.497  -2.263
  291    HB2  LEU  36           HB2      LEU  36   3.089 -20.447  -3.913
  292    HB3  LEU  36           HB3      LEU  36   3.604 -21.955  -4.641
  293    HG   LEU  36           HG       LEU  36   1.321 -22.105  -3.981
  294   HD11  LEU  36          HD11      LEU  36   3.022 -23.901  -2.203
  295   HD12  LEU  36          HD12      LEU  36   1.361 -24.189  -2.719
  296   HD13  LEU  36          HD13      LEU  36   2.666 -24.170  -3.919
  297   HD21  LEU  36          HD21      LEU  36   1.338 -20.547  -2.065
  298   HD22  LEU  36          HD22      LEU  36   0.583 -22.105  -1.678
  299   HD23  LEU  36          HD23      LEU  36   2.217 -21.752  -1.092
  300    H    ALA  37           H        ALA  37   6.085 -23.395  -3.604
  301    HA   ALA  37           HA       ALA  37   7.946 -21.698  -5.158
  302    HB1  ALA  37           HB1      ALA  37   8.605 -23.576  -2.846
  303    HB2  ALA  37           HB2      ALA  37   9.823 -22.809  -3.890
  304    HB3  ALA  37           HB3      ALA  37   8.800 -21.812  -2.843
  305    HA   PRO  38           HA       PRO  38   8.044 -25.114  -7.949
  306    HB2  PRO  38           HB2      PRO  38  11.043 -25.306  -7.599
  307    HB3  PRO  38           HB3      PRO  38  10.091 -25.256  -9.116
  308    HG2  PRO  38           HG2      PRO  38  11.360 -23.033  -8.244
  309    HG3  PRO  38           HG3      PRO  38   9.681 -22.912  -8.868
  310    HD2  PRO  38           HD2      PRO  38  10.613 -23.045  -5.992
  311    HD3  PRO  38           HD3      PRO  38   9.414 -21.945  -6.736
  312    HA   PRO  39           HA       PRO  39   8.229 -28.838  -5.469
  313    HB2  PRO  39           HB2      PRO  39   8.326 -30.825  -7.357
  314    HB3  PRO  39           HB3      PRO  39   6.854 -29.857  -7.033
  315    HG2  PRO  39           HG2      PRO  39   8.933 -29.411  -9.200
  316    HG3  PRO  39           HG3      PRO  39   7.156 -29.462  -9.379
  317    HD2  PRO  39           HD2      PRO  39   8.506 -27.114  -9.149
  318    HD3  PRO  39           HD3      PRO  39   6.907 -27.326  -8.376
  319    H    SER  40           H        SER  40   9.813 -30.200  -4.609
  320    HA   SER  40           HA       SER  40  12.566 -29.616  -5.154
  321    HB2  SER  40           HB2      SER  40  11.321 -31.858  -3.511
  322    HB3  SER  40           HB3      SER  40  12.952 -31.174  -3.335
  323    HG   SER  40           HG       SER  40  11.429 -30.313  -1.828
  324    H    GLU  41           H        GLU  41  14.166 -31.461  -5.476
  325    HA   GLU  41           HA       GLU  41  13.580 -32.861  -7.955
  326    HB2  GLU  41           HB2      GLU  41  16.066 -32.736  -6.198
  327    HB3  GLU  41           HB3      GLU  41  15.963 -33.569  -7.760
  328    HG2  GLU  41           HG2      GLU  41  15.357 -31.422  -8.861
  329    HG3  GLU  41           HG3      GLU  41  15.538 -30.583  -7.320
  330    H    VAL  42           H        VAL  42  11.737 -33.948  -6.632
  331    HA   VAL  42           HA       VAL  42  12.331 -36.232  -4.999
  332    HB   VAL  42           HB       VAL  42  10.000 -36.889  -5.558
  333   HG11  VAL  42          HG11      VAL  42  10.508 -35.377  -3.653
  334   HG12  VAL  42          HG12      VAL  42  10.287 -33.965  -4.709
  335   HG13  VAL  42          HG13      VAL  42   8.920 -35.041  -4.360
  336   HG21  VAL  42          HG21      VAL  42   8.519 -35.409  -6.807
  337   HG22  VAL  42          HG22      VAL  42   9.849 -34.303  -7.187
  338   HG23  VAL  42          HG23      VAL  42   9.831 -35.947  -7.861
  339    H    ALA  43           H        ALA  43  11.546 -38.418  -5.737
  340    HA   ALA  43           HA       ALA  43  13.200 -39.543  -7.704
  341    HB1  ALA  43           HB1      ALA  43  12.197 -40.820  -5.856
  342    HB2  ALA  43           HB2      ALA  43  10.567 -40.517  -6.506
  343    HB3  ALA  43           HB3      ALA  43  11.713 -41.538  -7.408
  344    H    GLY  44           H        GLY  44  12.894 -40.109  -9.842
  345    HA2  GLY  44           HA2      GLY  44  10.383 -39.964 -11.256
  346    HA3  GLY  44           HA3      GLY  44  11.403 -38.545 -11.565
  347    H    ALA  45           H        ALA  45  12.588 -41.860 -10.918
  348    HA   ALA  45           HA       ALA  45  14.503 -41.703 -13.010
  349    HB1  ALA  45           HB1      ALA  45  13.530 -44.126 -11.432
  350    HB2  ALA  45           HB2      ALA  45  15.040 -44.016 -12.358
  351    HB3  ALA  45           HB3      ALA  45  14.814 -42.998 -10.926
  352    H    GLY  46           H        GLY  46  11.180 -42.592 -13.196
  353    HA2  GLY  46           HA2      GLY  46  11.553 -43.723 -15.933
  354    HA3  GLY  46           HA3      GLY  46  10.443 -44.451 -14.759
  355    H    ALA  47           H        ALA  47  11.068 -40.947 -15.193
  356    HA   ALA  47           HA       ALA  47   8.451 -40.532 -16.502
  357    HB1  ALA  47           HB1      ALA  47   9.343 -39.129 -13.938
  358    HB2  ALA  47           HB2      ALA  47   7.886 -38.755 -14.880
  359    HB3  ALA  47           HB3      ALA  47   8.027 -40.322 -14.061
  360    H    ALA  48           H        ALA  48   8.293 -38.262 -17.297
  361    HA   ALA  48           HA       ALA  48  10.697 -36.662 -17.578
  362    HB1  ALA  48           HB1      ALA  48  11.023 -38.352 -19.393
  363    HB2  ALA  48           HB2      ALA  48   9.406 -37.972 -20.029
  364    HB3  ALA  48           HB3      ALA  48  10.691 -36.747 -20.060
  365    H    SER  49           H        SER  49  10.102 -34.668 -18.884
  366    HA   SER  49           HA       SER  49   7.215 -33.956 -18.590
  367    HB2  SER  49           HB2      SER  49   9.617 -32.263 -17.800
  368    HB3  SER  49           HB3      SER  49   7.906 -31.883 -17.540
  369    HG   SER  49           HG       SER  49   8.904 -32.721 -15.662
  370    H    VAL  50           H        VAL  50   9.272 -34.490 -20.944
  371    HA   VAL  50           HA       VAL  50   9.630 -33.865 -23.022
  372    HB   VAL  50           HB       VAL  50   7.439 -31.775 -22.776
  373   HG11  VAL  50          HG11      VAL  50   8.565 -33.256 -25.189
  374   HG12  VAL  50          HG12      VAL  50   7.181 -32.141 -25.202
  375   HG13  VAL  50          HG13      VAL  50   8.792 -31.534 -24.816
  376   HG21  VAL  50          HG21      VAL  50   7.238 -34.732 -23.518
  377   HG22  VAL  50          HG22      VAL  50   6.502 -33.950 -22.102
  378   HG23  VAL  50          HG23      VAL  50   5.940 -33.534 -23.718
  379    H    MET  51           H        MET  51   9.449 -31.083 -20.816
  380    HA   MET  51           HA       MET  51  12.172 -30.298 -21.654
  381    HB2  MET  51           HB2      MET  51   9.812 -28.362 -21.394
  382    HB3  MET  51           HB3      MET  51  11.513 -27.889 -21.474
  383    HG2  MET  51           HG2      MET  51  11.685 -28.923 -23.733
  384    HG3  MET  51           HG3      MET  51   9.977 -29.356 -23.648
  385    HE1  MET  51           HE1      MET  51  12.613 -26.530 -24.129
  386    HE2  MET  51           HE2      MET  51  11.628 -25.053 -24.168
  387    HE3  MET  51           HE3      MET  51  11.857 -25.919 -22.638
  388    H    SER  52           H        SER  52  13.371 -29.683 -19.808
  389    HA   SER  52           HA       SER  52  12.565 -30.700 -17.366
  390    HB2  SER  52           HB2      SER  52  14.603 -28.493 -17.792
  391    HB3  SER  52           HB3      SER  52  14.605 -29.734 -16.524
  392    HG   SER  52           HG       SER  52  16.044 -30.241 -18.245
  393    H    ALA  53           H        ALA  53  12.197 -27.363 -18.566
  394    HA   ALA  53           HA       ALA  53  11.496 -26.220 -16.009
  395    HB1  ALA  53           HB1      ALA  53  11.014 -25.203 -18.846
  396    HB2  ALA  53           HB2      ALA  53  10.902 -24.247 -17.355
  397    HB3  ALA  53           HB3      ALA  53  12.470 -24.899 -17.864
  398    H    LEU  54           H        LEU  54   9.699 -28.245 -18.174
  399    HA   LEU  54           HA       LEU  54   7.119 -26.961 -17.896
  400    HB2  LEU  54           HB2      LEU  54   7.718 -28.446 -19.751
  401    HB3  LEU  54           HB3      LEU  54   7.764 -29.809 -18.637
  402    HG   LEU  54           HG       LEU  54   5.731 -29.478 -20.098
  403   HD11  LEU  54          HD11      LEU  54   4.141 -30.353 -18.525
  404   HD12  LEU  54          HD12      LEU  54   5.733 -31.032 -18.172
  405   HD13  LEU  54          HD13      LEU  54   5.063 -29.746 -17.145
  406   HD21  LEU  54          HD21      LEU  54   4.839 -27.390 -18.090
  407   HD22  LEU  54          HD22      LEU  54   5.417 -27.048 -19.740
  408   HD23  LEU  54          HD23      LEU  54   3.955 -28.010 -19.491
  409    H    THR  55           H        THR  55   5.841 -27.016 -16.186
  410    HA   THR  55           HA       THR  55   5.874 -29.111 -14.165
  411    HB   THR  55           HB       THR  55   6.272 -26.255 -13.241
  412    HG1  THR  55           HG1      THR  55   8.116 -26.639 -14.479
  413   HG21  THR  55          HG21      THR  55   5.587 -27.885 -11.559
  414   HG22  THR  55          HG22      THR  55   6.959 -28.940 -11.975
  415   HG23  THR  55          HG23      THR  55   7.232 -27.343 -11.239
  416    H    ASP  56           H        ASP  56   3.847 -29.004 -13.028
  417    HA   ASP  56           HA       ASP  56   2.105 -26.706 -13.542
  418    HB2  ASP  56           HB2      ASP  56   1.682 -28.358 -15.357
  419    HB3  ASP  56           HB3      ASP  56   1.260 -29.561 -14.133
  420    H    LYS  57           H        LYS  57   3.565 -27.985 -11.302
  421    HA   LYS  57           HA       LYS  57   1.443 -28.115  -9.256
  422    HB2  LYS  57           HB2      LYS  57   2.539 -30.088  -8.328
  423    HB3  LYS  57           HB3      LYS  57   2.087 -30.365 -10.024
  424    HG2  LYS  57           HG2      LYS  57   4.427 -29.961 -10.727
  425    HG3  LYS  57           HG3      LYS  57   4.873 -29.628  -9.047
  426    HD2  LYS  57           HD2      LYS  57   5.570 -31.821  -9.705
  427    HD3  LYS  57           HD3      LYS  57   4.355 -31.915  -8.414
  428    HE2  LYS  57           HE2      LYS  57   2.615 -32.486 -10.095
  429    HE3  LYS  57           HE3      LYS  57   3.807 -32.338 -11.392
  430    HZ1  LYS  57           HZ1      LYS  57   5.005 -34.208 -10.416
  431    HZ2  LYS  57           HZ2      LYS  57   3.909 -34.343  -9.211
  432    HZ3  LYS  57           HZ3      LYS  57   3.471 -34.639 -10.752
  433    H    ALA  58           H        ALA  58   2.503 -27.885  -7.060
  434    HA   ALA  58           HA       ALA  58   5.141 -26.573  -6.985
  435    HB1  ALA  58           HB1      ALA  58   2.579 -25.126  -6.168
  436    HB2  ALA  58           HB2      ALA  58   4.228 -24.561  -5.845
  437    HB3  ALA  58           HB3      ALA  58   3.649 -24.708  -7.515
  438    H    ILE  59           H        ILE  59   5.463 -25.808  -4.543
  439    HA   ILE  59           HA       ILE  59   4.262 -27.691  -2.623
  440    HB   ILE  59           HB       ILE  59   7.198 -27.569  -3.381
  441   HG12  ILE  59          HG12      ILE  59   5.234 -29.768  -2.749
  442   HG13  ILE  59          HG13      ILE  59   5.815 -29.338  -4.368
  443   HG21  ILE  59          HG21      ILE  59   7.855 -28.715  -1.299
  444   HG22  ILE  59          HG22      ILE  59   7.135 -27.182  -0.898
  445   HG23  ILE  59          HG23      ILE  59   6.181 -28.659  -0.708
  446   HD11  ILE  59          HD11      ILE  59   8.148 -30.033  -3.526
  447   HD12  ILE  59          HD12      ILE  59   7.294 -30.755  -2.140
  448   HD13  ILE  59          HD13      ILE  59   6.952 -31.327  -3.780
  449    H    VAL  60           H        VAL  60   4.414 -26.932  -0.526
  450    HA   VAL  60           HA       VAL  60   4.702 -23.952  -0.355
  451    HB   VAL  60           HB       VAL  60   3.733 -25.923   1.744
  452   HG11  VAL  60          HG11      VAL  60   3.501 -22.873   1.617
  453   HG12  VAL  60          HG12      VAL  60   2.864 -23.922   2.902
  454   HG13  VAL  60          HG13      VAL  60   4.607 -23.764   2.678
  455   HG21  VAL  60          HG21      VAL  60   1.466 -25.063   1.279
  456   HG22  VAL  60          HG22      VAL  60   2.087 -24.082  -0.053
  457   HG23  VAL  60          HG23      VAL  60   2.132 -25.860  -0.154
  458    H    LYS  61           H        LYS  61   6.579 -23.075   0.462
  459    HA   LYS  61           HA       LYS  61   8.411 -24.805   2.058
  460    HB2  LYS  61           HB2      LYS  61   9.124 -23.156  -0.412
  461    HB3  LYS  61           HB3      LYS  61  10.328 -23.674   0.780
  462    HG2  LYS  61           HG2      LYS  61   9.612 -26.022   0.504
  463    HG3  LYS  61           HG3      LYS  61   8.487 -25.505  -0.773
  464    HD2  LYS  61           HD2      LYS  61  10.386 -24.746  -2.161
  465    HD3  LYS  61           HD3      LYS  61  11.519 -25.286  -0.904
  466    HE2  LYS  61           HE2      LYS  61  10.821 -27.578  -1.123
  467    HE3  LYS  61           HE3      LYS  61   9.417 -27.142  -2.101
  468    HZ1  LYS  61           HZ1      LYS  61  12.174 -26.715  -3.056
  469    HZ2  LYS  61           HZ2      LYS  61  11.344 -28.105  -3.289
  470    HZ3  LYS  61           HZ3      LYS  61  10.773 -26.700  -3.941
  471    H    LYS  62           H        LYS  62  10.101 -23.483   3.111
  472    HA   LYS  62           HA       LYS  62   9.093 -20.811   3.950
  473    HB2  LYS  62           HB2      LYS  62   8.506 -22.517   5.657
  474    HB3  LYS  62           HB3      LYS  62  10.188 -23.045   5.727
  475    HG2  LYS  62           HG2      LYS  62  10.873 -20.823   6.585
  476    HG3  LYS  62           HG3      LYS  62   9.193 -20.259   6.482
  477    HD2  LYS  62           HD2      LYS  62   8.487 -21.960   8.103
  478    HD3  LYS  62           HD3      LYS  62  10.136 -22.620   8.169
  479    HE2  LYS  62           HE2      LYS  62  10.985 -20.491   9.079
  480    HE3  LYS  62           HE3      LYS  62   9.373 -19.772   8.941
  481    HZ1  LYS  62           HZ1      LYS  62   8.568 -21.457  10.504
  482    HZ2  LYS  62           HZ2      LYS  62  10.091 -22.042  10.700
  483    HZ3  LYS  62           HZ3      LYS  62   9.741 -20.522  11.184
  484    H    GLU  63           H        GLU  63  10.746 -19.260   3.908
  485    HA   GLU  63           HA       GLU  63  13.554 -20.047   3.638
  486    HB2  GLU  63           HB2      GLU  63  11.930 -18.901   1.312
  487    HB3  GLU  63           HB3      GLU  63  13.697 -18.875   1.393
  488    HG2  GLU  63           HG2      GLU  63  13.667 -21.392   1.597
  489    HG3  GLU  63           HG3      GLU  63  11.926 -21.346   1.279
  490    H    LEU  64           H        LEU  64  14.899 -18.054   3.417
  491    HA   LEU  64           HA       LEU  64  14.032 -15.954   5.178
  492    HB2  LEU  64           HB2      LEU  64  16.432 -16.757   4.804
  493    HB3  LEU  64           HB3      LEU  64  16.352 -16.059   3.187
  494    HG   LEU  64           HG       LEU  64  15.828 -13.801   4.386
  495   HD11  LEU  64          HD11      LEU  64  16.629 -13.585   6.677
  496   HD12  LEU  64          HD12      LEU  64  15.390 -14.846   6.646
  497   HD13  LEU  64          HD13      LEU  64  17.097 -15.298   6.723
  498   HD21  LEU  64          HD21      LEU  64  18.556 -15.124   4.677
  499   HD22  LEU  64          HD22      LEU  64  17.947 -14.264   3.248
  500   HD23  LEU  64          HD23      LEU  64  18.242 -13.377   4.751
  501    H    LEU  65           H        LEU  65  13.043 -14.022   4.667
  502    HA   LEU  65           HA       LEU  65  11.652 -13.677   2.248
  503    HB2  LEU  65           HB2      LEU  65  11.120 -12.576   4.407
  504    HB3  LEU  65           HB3      LEU  65  12.519 -11.529   4.249
  505    HG   LEU  65           HG       LEU  65  10.469 -11.618   2.008
  506   HD11  LEU  65          HD11      LEU  65   9.195  -9.794   3.120
  507   HD12  LEU  65          HD12      LEU  65   9.140 -11.265   4.084
  508   HD13  LEU  65          HD13      LEU  65  10.217  -9.946   4.565
  509   HD21  LEU  65          HD21      LEU  65  12.176  -9.334   3.146
  510   HD22  LEU  65          HD22      LEU  65  12.498 -10.183   1.627
  511   HD23  LEU  65          HD23      LEU  65  11.054  -9.225   1.776
  512    H    TYR  66           H        TYR  66  14.772 -12.245   3.287
  513    HA   TYR  66           HA       TYR  66  15.028 -10.580   1.036
  514    HB2  TYR  66           HB2      TYR  66  17.253 -11.707   2.769
  515    HB3  TYR  66           HB3      TYR  66  17.318 -10.245   1.791
  516    HD1  TYR  66           HD1      TYR  66  15.338  -8.477   2.293
  517    HD2  TYR  66           HD2      TYR  66  16.758 -11.455   5.079
  518    HE1  TYR  66           HE1      TYR  66  14.354  -7.192   4.164
  519    HE2  TYR  66           HE2      TYR  66  15.784 -10.179   6.952
  520    HH   TYR  66           HH       TYR  66  14.593  -8.274   7.587
  521    H    ASP  67           H        ASP  67  15.532 -14.035   1.213
  522    HA   ASP  67           HA       ASP  67  17.158 -14.092  -1.260
  523    HB2  ASP  67           HB2      ASP  67  17.517 -15.850   0.419
  524    HB3  ASP  67           HB3      ASP  67  15.820 -16.330   0.306
  525    H    VAL  68           H        VAL  68  13.800 -14.805  -0.134
  526    HA   VAL  68           HA       VAL  68  12.753 -15.571  -2.647
  527    HB   VAL  68           HB       VAL  68  11.355 -14.297  -0.236
  528   HG11  VAL  68          HG11      VAL  68   9.915 -14.172  -2.245
  529   HG12  VAL  68          HG12      VAL  68  10.173 -15.899  -2.556
  530   HG13  VAL  68          HG13      VAL  68   9.301 -15.369  -1.104
  531   HG21  VAL  68          HG21      VAL  68  10.750 -16.687   0.267
  532   HG22  VAL  68          HG22      VAL  68  11.780 -17.218  -1.071
  533   HG23  VAL  68          HG23      VAL  68  12.491 -16.427   0.344
  534    H    ALA  69           H        ALA  69  13.043 -12.327  -1.157
  535    HA   ALA  69           HA       ALA  69  11.797 -11.011  -3.427
  536    HB1  ALA  69           HB1      ALA  69  12.231  -8.962  -2.174
  537    HB2  ALA  69           HB2      ALA  69  11.545 -10.183  -1.084
  538    HB3  ALA  69           HB3      ALA  69  13.290  -9.835  -1.044
  539    H    GLY  70           H        GLY  70  14.826 -12.377  -3.176
  540    HA2  GLY  70           HA2      GLY  70  16.607 -10.348  -4.009
  541    HA3  GLY  70           HA3      GLY  70  16.802 -12.094  -4.245
  542    H    SER  71           H        SER  71  14.044 -11.878  -5.805
  543    HA   SER  71           HA       SER  71  14.994 -11.801  -8.446
  544    HB2  SER  71           HB2      SER  71  12.421 -11.485  -8.825
  545    HB3  SER  71           HB3      SER  71  13.036 -12.968  -8.088
  546    HG   SER  71           HG       SER  71  11.803 -10.772  -6.771
  547    H    ASP  72           H        ASP  72  13.423  -9.247  -6.470
  548    HA   ASP  72           HA       ASP  72  14.869  -7.157  -7.728
  549    HB2  ASP  72           HB2      ASP  72  13.230  -7.498  -9.547
  550    HB3  ASP  72           HB3      ASP  72  11.943  -7.237  -8.383
  551    H    LYS  73           H        LYS  73  11.642  -7.431  -6.247
  552    HA   LYS  73           HA       LYS  73  12.495  -5.813  -3.917
  553    HB2  LYS  73           HB2      LYS  73  10.693  -4.956  -6.206
  554    HB3  LYS  73           HB3      LYS  73  10.584  -4.156  -4.621
  555    HG2  LYS  73           HG2      LYS  73  12.791  -4.111  -6.638
  556    HG3  LYS  73           HG3      LYS  73  11.778  -2.780  -6.156
  557    HD2  LYS  73           HD2      LYS  73  12.911  -2.480  -4.099
  558    HD3  LYS  73           HD3      LYS  73  13.708  -4.049  -4.171
  559    HE2  LYS  73           HE2      LYS  73  14.233  -1.732  -6.085
  560    HE3  LYS  73           HE3      LYS  73  15.250  -2.200  -4.719
  561    HZ1  LYS  73           HZ1      LYS  73  16.184  -3.174  -6.647
  562    HZ2  LYS  73           HZ2      LYS  73  15.456  -4.417  -5.841
  563    HZ3  LYS  73           HZ3      LYS  73  14.762  -3.809  -7.172
  564    H    TYR  74           H        TYR  74  10.442  -5.312  -2.551
  565    HA   TYR  74           HA       TYR  74   8.133  -7.013  -3.009
  566    HB2  TYR  74           HB2      TYR  74   8.315  -8.326  -1.038
  567    HB3  TYR  74           HB3      TYR  74   9.834  -8.512  -1.866
  568    HD1  TYR  74           HD1      TYR  74  11.862  -7.056  -0.965
  569    HD2  TYR  74           HD2      TYR  74   8.141  -7.477   1.182
  570    HE1  TYR  74           HE1      TYR  74  12.958  -6.238   1.092
  571    HE2  TYR  74           HE2      TYR  74   9.225  -6.653   3.240
  572    HH   TYR  74           HH       TYR  74  11.206  -5.886   4.210
  573    H    GLN  75           H        GLN  75   6.464  -6.636  -1.291
  574    HA   GLN  75           HA       GLN  75   6.960  -4.701   0.723
  575    HB2  GLN  75           HB2      GLN  75   5.133  -3.120   0.174
  576    HB3  GLN  75           HB3      GLN  75   6.537  -2.962  -0.843
  577    HG2  GLN  75           HG2      GLN  75   4.109  -4.573  -1.712
  578    HG3  GLN  75           HG3      GLN  75   4.163  -2.832  -1.886
  579   HE21  GLN  75          HE22      GLN  75   3.800  -4.503  -4.068
  580   HE22  GLN  75          HE21      GLN  75   5.177  -4.327  -5.147
  581    H    VAL  76           H        VAL  76   4.977  -4.391   2.148
  582    HA   VAL  76           HA       VAL  76   3.565  -6.917   2.508
  583    HB   VAL  76           HB       VAL  76   3.475  -4.191   3.867
  584   HG11  VAL  76          HG11      VAL  76   1.760  -6.625   4.523
  585   HG12  VAL  76          HG12      VAL  76   1.985  -5.224   5.591
  586   HG13  VAL  76          HG13      VAL  76   1.196  -5.011   4.031
  587   HG21  VAL  76          HG21      VAL  76   4.235  -6.917   5.000
  588   HG22  VAL  76          HG22      VAL  76   5.418  -5.755   4.378
  589   HG23  VAL  76          HG23      VAL  76   4.417  -5.337   5.779
  590    H    ASN  77           H        ASN  77   1.457  -7.269   1.826
  591    HA   ASN  77           HA       ASN  77  -0.098  -5.037   0.734
  592    HB2  ASN  77           HB2      ASN  77   1.295  -5.821  -1.205
  593    HB3  ASN  77           HB3      ASN  77   0.486  -7.387  -1.102
  594   HD21  ASN  77          HD22      ASN  77  -0.115  -6.629  -3.471
  595   HD22  ASN  77          HD21      ASN  77  -1.606  -5.716  -3.584
  596    H    ASN  78           H        ASN  78  -0.741  -6.036   2.980
  597    HA   ASN  78           HA       ASN  78  -2.428  -8.340   3.128
  598    HB2  ASN  78           HB2      ASN  78  -2.524  -5.687   4.619
  599    HB3  ASN  78           HB3      ASN  78  -3.547  -7.076   4.971
  600   HD21  ASN  78          HD22      ASN  78  -1.245  -5.615   6.497
  601   HD22  ASN  78          HD21      ASN  78  -0.335  -6.975   7.121
  602    H    LYS  79           H        LYS  79  -4.147  -8.706   1.804
  603    HA   LYS  79           HA       LYS  79  -5.080  -6.756   0.012
  604    HB2  LYS  79           HB2      LYS  79  -6.358  -9.383   0.881
  605    HB3  LYS  79           HB3      LYS  79  -6.958  -8.420  -0.454
  606    HG2  LYS  79           HG2      LYS  79  -4.191  -9.688  -0.293
  607    HG3  LYS  79           HG3      LYS  79  -5.554 -10.294  -1.217
  608    HD2  LYS  79           HD2      LYS  79  -4.024  -7.713  -1.716
  609    HD3  LYS  79           HD3      LYS  79  -3.971  -9.178  -2.680
  610    HE2  LYS  79           HE2      LYS  79  -6.404  -7.362  -2.357
  611    HE3  LYS  79           HE3      LYS  79  -5.311  -7.409  -3.740
  612    HZ1  LYS  79           HZ1      LYS  79  -7.209  -8.711  -4.253
  613    HZ2  LYS  79           HZ2      LYS  79  -5.965  -9.764  -4.060
  614    HZ3  LYS  79           HZ3      LYS  79  -7.103  -9.603  -2.892
  615    H    HIS  80           H        HIS  80  -6.442  -7.588   3.184
  616    HA   HIS  80           HA       HIS  80  -8.551  -5.506   2.805
  617    HB2  HIS  80           HB2      HIS  80  -8.994  -8.235   4.037
  618    HB3  HIS  80           HB3      HIS  80 -10.171  -6.948   3.766
  619    HD2  HIS  80           HD2      HIS  80  -8.739 -10.018   2.145
  620    HE1  HIS  80           HE1      HIS  80 -10.929  -8.073  -0.949
  621    HE2  HIS  80           HE2      HIS  80  -9.745 -10.222  -0.272
  622    H    ASP  81           H        ASP  81  -5.930  -5.586   4.383
  623    HA   ASP  81           HA       ASP  81  -6.634  -5.571   7.184
  624    HB2  ASP  81           HB2      ASP  81  -4.362  -5.751   6.468
  625    HB3  ASP  81           HB3      ASP  81  -4.453  -4.228   5.570
  626    H    ASP  82           H        ASP  82  -8.042  -3.796   4.831
  627    HA   ASP  82           HA       ASP  82  -8.118  -1.155   6.136
  628    HB2  ASP  82           HB2      ASP  82  -9.457  -0.463   4.336
  629    HB3  ASP  82           HB3      ASP  82  -8.198  -1.462   3.609
  630    H    LYS  83           H        LYS  83  -9.887  -4.188   5.919
  631    HA   LYS  83           HA       LYS  83 -11.905  -3.162   7.881
  632    HB2  LYS  83           HB2      LYS  83 -13.660  -4.065   6.498
  633    HB3  LYS  83           HB3      LYS  83 -12.612  -2.987   5.542
  634    HG2  LYS  83           HG2      LYS  83 -11.449  -5.060   4.693
  635    HG3  LYS  83           HG3      LYS  83 -12.738  -5.986   5.458
  636    HD2  LYS  83           HD2      LYS  83 -14.424  -5.076   4.082
  637    HD3  LYS  83           HD3      LYS  83 -13.421  -3.714   3.539
  638    HE2  LYS  83           HE2      LYS  83 -12.564  -6.551   3.096
  639    HE3  LYS  83           HE3      LYS  83 -13.729  -5.803   1.980
  640    HZ1  LYS  83           HZ1      LYS  83 -11.103  -4.553   2.574
  641    HZ2  LYS  83           HZ2      LYS  83 -11.302  -5.643   1.355
  642    HZ3  LYS  83           HZ3      LYS  83 -12.124  -4.216   1.342
  643    H    TYR  84           H        TYR  84 -10.094  -5.958   6.768
  644    HA   TYR  84           HA       TYR  84 -11.261  -7.624   8.949
  645    HB2  TYR  84           HB2      TYR  84 -10.249  -8.390   6.178
  646    HB3  TYR  84           HB3      TYR  84 -10.790  -9.539   7.386
  647    HD1  TYR  84           HD2      TYR  84 -13.264  -8.294   8.430
  648    HD2  TYR  84           HD1      TYR  84 -11.751  -8.664   4.424
  649    HE1  TYR  84           HE2      TYR  84 -15.593  -8.227   7.557
  650    HE2  TYR  84           HE1      TYR  84 -14.070  -8.638   3.525
  651    HH   TYR  84           HH       TYR  84 -16.338  -8.471   4.046
  652    H    SER  85           H        SER  85 -10.009  -9.304   9.637
  653    HA   SER  85           HA       SER  85  -7.632 -10.359   9.052
  654    HB2  SER  85           HB2      SER  85  -7.042  -8.075  10.944
  655    HB3  SER  85           HB3      SER  85  -6.059  -9.553  10.821
  656    HG   SER  85           HG       SER  85  -6.735  -7.807   8.700
  657    HA   PRO  86           HA       PRO  86 -10.588 -11.813  12.313
  658    HB2  PRO  86           HB2      PRO  86 -11.085 -14.316  11.290
  659    HB3  PRO  86           HB3      PRO  86 -11.920 -12.828  10.733
  660    HG2  PRO  86           HG2      PRO  86  -9.559 -14.253   9.481
  661    HG3  PRO  86           HG3      PRO  86 -11.026 -13.616   8.674
  662    HD2  PRO  86           HD2      PRO  86  -8.669 -12.243   8.746
  663    HD3  PRO  86           HD3      PRO  86 -10.253 -11.407   8.810
  664    H    LEU  87           H        LEU  87  -7.520 -12.941  11.284
  665    HA   LEU  87           HA       LEU  87  -7.333 -14.983  13.455
  666    HB2  LEU  87           HB2      LEU  87  -5.946 -14.780  10.761
  667    HB3  LEU  87           HB3      LEU  87  -5.514 -15.941  12.011
  668    HG   LEU  87           HG       LEU  87  -8.232 -15.774  10.634
  669   HD11  LEU  87          HD11      LEU  87  -6.491 -16.519   9.107
  670   HD12  LEU  87          HD12      LEU  87  -5.935 -17.740  10.268
  671   HD13  LEU  87          HD13      LEU  87  -7.546 -17.875   9.527
  672   HD21  LEU  87          HD21      LEU  87  -8.498 -16.728  12.880
  673   HD22  LEU  87          HD22      LEU  87  -8.629 -18.009  11.681
  674   HD23  LEU  87          HD23      LEU  87  -7.125 -17.827  12.609
  675    HA   PRO  88           HA       PRO  88  -4.285 -12.024  15.136
  676    HB2  PRO  88           HB2      PRO  88  -3.789 -14.495  16.806
  677    HB3  PRO  88           HB3      PRO  88  -3.864 -12.785  17.332
  678    HG2  PRO  88           HG2      PRO  88  -5.968 -14.447  17.748
  679    HG3  PRO  88           HG3      PRO  88  -6.247 -12.770  17.172
  680    HD2  PRO  88           HD2      PRO  88  -6.242 -15.330  15.564
  681    HD3  PRO  88           HD3      PRO  88  -7.348 -13.930  15.467
  682    H    CYS  89           H        CYS  89  -1.932 -12.012  15.166
  683    HA   CYS  89           HA       CYS  89  -0.572 -13.163  13.068
  684    HB2  CYS  89           HB2      CYS  89   0.523 -12.356  15.797
  685    HB3  CYS  89           HB3      CYS  89   1.495 -12.608  14.337
  686    HG   CYS  89           HG       CYS  89   0.912 -10.689  13.048
  687    H    SER  90           H        SER  90  -0.851 -14.522  16.395
  688    HA   SER  90           HA       SER  90   0.935 -16.673  16.085
  689    HB2  SER  90           HB2      SER  90  -0.512 -17.651  17.957
  690    HB3  SER  90           HB3      SER  90   0.189 -16.049  18.250
  691    HG   SER  90           HG       SER  90  -1.974 -15.996  18.817
  692    H    LYS  91           H        LYS  91  -2.594 -16.555  15.546
  693    HA   LYS  91           HA       LYS  91  -2.831 -19.287  14.740
  694    HB2  LYS  91           HB2      LYS  91  -4.681 -17.018  13.975
  695    HB3  LYS  91           HB3      LYS  91  -5.044 -18.742  14.003
  696    HG2  LYS  91           HG2      LYS  91  -4.559 -16.943  16.417
  697    HG3  LYS  91           HG3      LYS  91  -6.085 -17.596  15.850
  698    HD2  LYS  91           HD2      LYS  91  -5.658 -18.976  17.604
  699    HD3  LYS  91           HD3      LYS  91  -5.038 -19.948  16.265
  700    HE2  LYS  91           HE2      LYS  91  -2.726 -19.262  16.833
  701    HE3  LYS  91           HE3      LYS  91  -3.334 -18.132  18.046
  702    HZ1  LYS  91           HZ1      LYS  91  -2.580 -20.199  19.057
  703    HZ2  LYS  91           HZ2      LYS  91  -4.176 -20.018  19.308
  704    HZ3  LYS  91           HZ3      LYS  91  -3.644 -21.081  18.189
  705    H    ILE  92           H        ILE  92  -2.264 -16.294  12.832
  706    HA   ILE  92           HA       ILE  92  -2.524 -17.513  10.255
  707    HB   ILE  92           HB       ILE  92  -0.740 -15.203  11.146
  708   HG12  ILE  92          HG12      ILE  92  -3.449 -15.034   9.759
  709   HG13  ILE  92          HG13      ILE  92  -3.289 -14.958  11.496
  710   HG21  ILE  92          HG21      ILE  92  -1.613 -16.077   8.357
  711   HG22  ILE  92          HG22      ILE  92  -0.771 -14.562   8.706
  712   HG23  ILE  92          HG23      ILE  92   0.042 -16.090   8.992
  713   HD11  ILE  92          HD11      ILE  92  -3.404 -12.709  10.596
  714   HD12  ILE  92          HD12      ILE  92  -1.819 -12.983  11.331
  715   HD13  ILE  92          HD13      ILE  92  -1.999 -13.001   9.572
  716    H    ILE  93           H        ILE  93   0.334 -17.070  12.416
  717    HA   ILE  93           HA       ILE  93   2.168 -18.395  10.680
  718    HB   ILE  93           HB       ILE  93   2.207 -17.824  13.675
  719   HG12  ILE  93          HG12      ILE  93   3.606 -16.419  11.356
  720   HG13  ILE  93          HG13      ILE  93   2.056 -15.913  11.987
  721   HG21  ILE  93          HG21      ILE  93   4.680 -18.131  13.534
  722   HG22  ILE  93          HG22      ILE  93   3.812 -19.627  13.220
  723   HG23  ILE  93          HG23      ILE  93   4.500 -18.710  11.862
  724   HD11  ILE  93          HD11      ILE  93   3.114 -15.623  14.266
  725   HD12  ILE  93          HD12      ILE  93   4.694 -15.828  13.463
  726   HD13  ILE  93          HD13      ILE  93   3.614 -14.499  12.995
  727    H    GLN  94           H        GLN  94   0.122 -19.526  13.357
  728    HA   GLN  94           HA       GLN  94   1.040 -22.195  13.512
  729    HB2  GLN  94           HB2      GLN  94  -1.643 -20.885  14.031
  730    HB3  GLN  94           HB3      GLN  94  -1.509 -22.630  14.104
  731    HG2  GLN  94           HG2      GLN  94   0.115 -20.674  15.780
  732    HG3  GLN  94           HG3      GLN  94  -1.313 -21.558  16.310
  733   HE21  GLN  94          HE22      GLN  94  -0.978 -24.152  15.555
  734   HE22  GLN  94          HE21      GLN  94   0.513 -24.812  16.171
  735    H    ARG  95           H        ARG  95  -1.455 -20.777  11.326
  736    HA   ARG  95           HA       ARG  95  -1.941 -23.241   9.893
  737    HB2  ARG  95           HB2      ARG  95  -2.280 -20.349   9.038
  738    HB3  ARG  95           HB3      ARG  95  -2.581 -21.750   8.004
  739    HG2  ARG  95           HG2      ARG  95  -4.105 -22.617   9.940
  740    HG3  ARG  95           HG3      ARG  95  -4.084 -20.929  10.506
  741    HD2  ARG  95           HD2      ARG  95  -4.906 -20.183   8.303
  742    HD3  ARG  95           HD3      ARG  95  -4.754 -21.851   7.692
  743    HE   ARG  95           HE       ARG  95  -6.482 -21.793   9.964
  744   HH11  ARG  95          HH11      ARG  95  -6.507 -20.773   6.535
  745   HH12  ARG  95          HH12      ARG  95  -8.161 -21.130   6.304
  746   HH21  ARG  95          HH21      ARG  95  -8.721 -22.246   9.629
  747   HH22  ARG  95          HH22      ARG  95  -9.441 -22.008   8.084
  748    H    ALA  96           H        ALA  96   0.281 -20.475   9.157
  749    HA   ALA  96           HA       ALA  96   1.348 -21.496   6.818
  750    HB1  ALA  96           HB1      ALA  96   2.945 -19.964   8.914
  751    HB2  ALA  96           HB2      ALA  96   3.191 -19.985   7.159
  752    HB3  ALA  96           HB3      ALA  96   1.757 -19.203   7.838
  753    H    GLU  97           H        GLU  97   2.540 -22.080  10.109
  754    HA   GLU  97           HA       GLU  97   4.756 -23.691   9.422
  755    HB2  GLU  97           HB2      GLU  97   3.085 -23.420  11.954
  756    HB3  GLU  97           HB3      GLU  97   4.570 -24.361  11.894
  757    HG2  GLU  97           HG2      GLU  97   4.495 -21.410  11.130
  758    HG3  GLU  97           HG3      GLU  97   4.715 -21.959  12.788
  759    H    GLU  98           H        GLU  98   1.315 -24.595   9.929
  760    HA   GLU  98           HA       GLU  98   1.847 -27.399  10.232
  761    HB2  GLU  98           HB2      GLU  98  -0.032 -26.471  11.325
  762    HB3  GLU  98           HB3      GLU  98  -0.541 -25.546   9.909
  763    HG2  GLU  98           HG2      GLU  98  -1.238 -27.459   8.749
  764    HG3  GLU  98           HG3      GLU  98  -0.563 -28.553   9.977
  765    H    LEU  99           H        LEU  99   1.491 -25.105   7.622
  766    HA   LEU  99           HA       LEU  99   0.751 -27.181   5.649
  767    HB2  LEU  99           HB2      LEU  99   0.765 -24.156   5.576
  768    HB3  LEU  99           HB3      LEU  99   0.195 -25.188   4.269
  769    HG   LEU  99           HG       LEU  99  -0.984 -25.275   7.095
  770   HD11  LEU  99          HD11      LEU  99  -2.044 -23.793   4.657
  771   HD12  LEU  99          HD12      LEU  99  -2.829 -23.917   6.248
  772   HD13  LEU  99          HD13      LEU  99  -1.302 -23.041   6.091
  773   HD21  LEU  99          HD21      LEU  99  -2.883 -26.389   6.109
  774   HD22  LEU  99          HD22      LEU  99  -2.159 -26.313   4.496
  775   HD23  LEU  99          HD23      LEU  99  -1.424 -27.315   5.766
  776    H    VAL 100           H        VAL 100   3.704 -25.548   6.596
  777    HA   VAL 100           HA       VAL 100   4.976 -25.526   4.065
  778    HB   VAL 100           HB       VAL 100   6.418 -26.278   6.634
  779   HG11  VAL 100          HG11      VAL 100   8.278 -25.004   5.615
  780   HG12  VAL 100          HG12      VAL 100   7.766 -26.297   4.541
  781   HG13  VAL 100          HG13      VAL 100   7.260 -24.623   4.209
  782   HG21  VAL 100          HG21      VAL 100   5.481 -23.504   5.812
  783   HG22  VAL 100          HG22      VAL 100   5.178 -24.382   7.332
  784   HG23  VAL 100          HG23      VAL 100   6.793 -23.802   6.980
  785    H    GLY 101           H        GLY 101   6.065 -27.057   2.857
  786    HA2  GLY 101           HA2      GLY 101   7.153 -29.009   2.401
  787    HA3  GLY 101           HA3      GLY 101   6.580 -29.728   3.912
  788    H    GLN 102           H        GLN 102   3.780 -28.507   2.590
  789    HA   GLN 102           HA       GLN 102   3.057 -31.168   1.552
  790    HB2  GLN 102           HB2      GLN 102   0.830 -30.519   1.698
  791    HB3  GLN 102           HB3      GLN 102   1.593 -29.796   3.115
  792    HG2  GLN 102           HG2      GLN 102   1.753 -27.631   1.724
  793    HG3  GLN 102           HG3      GLN 102   0.722 -28.415   0.537
  794   HE21  GLN 102          HE22      GLN 102  -0.215 -26.102   1.566
  795   HE22  GLN 102          HE21      GLN 102  -1.506 -26.404   2.705
  796    H    GLU 103           H        GLU 103   2.238 -31.505  -0.575
  797    HA   GLU 103           HA       GLU 103   3.197 -29.571  -2.586
  798    HB2  GLU 103           HB2      GLU 103   2.112 -32.305  -3.272
  799    HB3  GLU 103           HB3      GLU 103   3.330 -31.338  -4.079
  800    HG2  GLU 103           HG2      GLU 103   4.679 -32.955  -3.248
  801    HG3  GLU 103           HG3      GLU 103   4.759 -31.877  -1.865
  802    H    VAL 104           H        VAL 104   1.868 -28.953  -4.330
  803    HA   VAL 104           HA       VAL 104  -1.026 -29.500  -4.138
  804    HB   VAL 104           HB       VAL 104  -1.329 -27.135  -4.816
  805   HG11  VAL 104          HG11      VAL 104  -1.775 -27.870  -2.488
  806   HG12  VAL 104          HG12      VAL 104  -0.108 -27.445  -2.041
  807   HG13  VAL 104          HG13      VAL 104  -1.242 -26.183  -2.556
  808   HG21  VAL 104          HG21      VAL 104   0.316 -25.424  -4.355
  809   HG22  VAL 104          HG22      VAL 104   1.502 -26.636  -3.835
  810   HG23  VAL 104          HG23      VAL 104   0.957 -26.567  -5.530
  811    H    LEU 105           H        LEU 105  -2.040 -29.483  -6.195
  812    HA   LEU 105           HA       LEU 105  -0.110 -30.115  -8.373
  813    HB2  LEU 105           HB2      LEU 105  -3.007 -30.854  -7.931
  814    HB3  LEU 105           HB3      LEU 105  -2.023 -31.394  -9.296
  815    HG   LEU 105           HG       LEU 105  -1.568 -32.148  -6.377
  816   HD11  LEU 105          HD11      LEU 105  -3.508 -33.257  -7.421
  817   HD12  LEU 105          HD12      LEU 105  -2.482 -33.815  -8.759
  818   HD13  LEU 105          HD13      LEU 105  -2.200 -34.406  -7.105
  819   HD21  LEU 105          HD21      LEU 105  -0.019 -32.966  -8.878
  820   HD22  LEU 105          HD22      LEU 105   0.604 -32.035  -7.493
  821   HD23  LEU 105          HD23      LEU 105   0.149 -33.723  -7.277
  822    H    TYR 106           H        TYR 106  -0.724 -27.501  -7.752
  823    HA   TYR 106           HA       TYR 106  -1.669 -26.602 -10.406
  824    HB2  TYR 106           HB2      TYR 106  -2.548 -24.531  -9.467
  825    HB3  TYR 106           HB3      TYR 106  -3.443 -25.935  -8.938
  826    HD1  TYR 106           HD1      TYR 106  -0.692 -23.606  -7.790
  827    HD2  TYR 106           HD2      TYR 106  -3.975 -26.171  -6.657
  828    HE1  TYR 106           HE1      TYR 106  -0.500 -22.819  -5.449
  829    HE2  TYR 106           HE2      TYR 106  -3.814 -25.360  -4.328
  830    HH   TYR 106           HH       TYR 106  -2.704 -23.936  -2.845
  831    H    LYS 107           H        LYS 107  -0.401 -24.981 -11.328
  832    HA   LYS 107           HA       LYS 107   2.309 -25.010 -10.716
  833    HB2  LYS 107           HB2      LYS 107   0.789 -24.805 -12.910
  834    HB3  LYS 107           HB3      LYS 107   0.750 -23.080 -12.524
  835    HG2  LYS 107           HG2      LYS 107   3.224 -23.049 -12.621
  836    HG3  LYS 107           HG3      LYS 107   3.200 -24.804 -12.914
  837    HD2  LYS 107           HD2      LYS 107   2.053 -24.464 -15.057
  838    HD3  LYS 107           HD3      LYS 107   1.911 -22.718 -14.742
  839    HE2  LYS 107           HE2      LYS 107   4.363 -22.491 -14.755
  840    HE3  LYS 107           HE3      LYS 107   4.543 -24.237 -15.006
  841    HZ1  LYS 107           HZ1      LYS 107   3.257 -22.370 -16.917
  842    HZ2  LYS 107           HZ2      LYS 107   4.744 -23.010 -17.079
  843    HZ3  LYS 107           HZ3      LYS 107   3.435 -23.981 -17.144
  844    H    LEU 108           H        LEU 108   3.576 -22.901 -10.543
  845    HA   LEU 108           HA       LEU 108   2.493 -21.010  -8.603
  846    HB2  LEU 108           HB2      LEU 108   4.960 -20.768 -10.393
  847    HB3  LEU 108           HB3      LEU 108   4.558 -19.757  -9.005
  848    HG   LEU 108           HG       LEU 108   5.322 -22.706  -8.978
  849   HD11  LEU 108          HD11      LEU 108   7.243 -21.939  -7.698
  850   HD12  LEU 108          HD12      LEU 108   7.172 -21.082  -9.242
  851   HD13  LEU 108          HD13      LEU 108   6.659 -20.260  -7.749
  852   HD21  LEU 108          HD21      LEU 108   4.404 -20.941  -6.674
  853   HD22  LEU 108          HD22      LEU 108   3.588 -22.399  -7.295
  854   HD23  LEU 108          HD23      LEU 108   5.165 -22.541  -6.504
  855    H    THR 109           H        THR 109   1.253 -19.302  -9.052
  856    HA   THR 109           HA       THR 109   1.633 -17.762 -11.480
  857    HB   THR 109           HB       THR 109  -0.782 -17.509 -11.885
  858    HG1  THR 109           HG1      THR 109  -2.221 -19.004 -10.950
  859   HG21  THR 109          HG21      THR 109  -1.271 -19.586 -13.031
  860   HG22  THR 109          HG22      THR 109   0.460 -19.252 -13.208
  861   HG23  THR 109          HG23      THR 109  -0.096 -20.478 -12.044
  862    H    SER 110           H        SER 110   0.814 -15.523 -11.045
  863    HA   SER 110           HA       SER 110   1.250 -14.544  -8.497
  864    HB2  SER 110           HB2      SER 110  -0.793 -13.245 -10.287
  865    HB3  SER 110           HB3      SER 110   0.543 -12.513  -9.385
  866    HG   SER 110           HG       SER 110   0.831 -12.589 -11.700
  867    H    GLU 111           H        GLU 111  -1.817 -15.647 -10.009
  868    HA   GLU 111           HA       GLU 111  -3.507 -14.830  -7.853
  869    HB2  GLU 111           HB2      GLU 111  -4.203 -15.120 -10.220
  870    HB3  GLU 111           HB3      GLU 111  -3.964 -16.869 -10.078
  871    HG2  GLU 111           HG2      GLU 111  -5.721 -16.987  -8.350
  872    HG3  GLU 111           HG3      GLU 111  -5.891 -15.229  -8.376
  873    H    ASN 112           H        ASN 112  -1.990 -18.034  -8.679
  874    HA   ASN 112           HA       ASN 112  -3.462 -19.444  -6.644
  875    HB2  ASN 112           HB2      ASN 112  -0.874 -20.059  -8.131
  876    HB3  ASN 112           HB3      ASN 112  -1.510 -21.112  -6.882
  877   HD21  ASN 112          HD21      ASN 112  -1.146 -21.863  -9.659
  878   HD22  ASN 112          HD22      ASN 112  -2.740 -22.230 -10.294
  879    H    CYS 113           H        CYS 113  -0.224 -17.868  -6.639
  880    HA   CYS 113           HA       CYS 113   0.383 -18.702  -3.961
  881    HB2  CYS 113           HB2      CYS 113   1.407 -16.306  -5.551
  882    HB3  CYS 113           HB3      CYS 113   2.145 -16.986  -4.087
  883    HG   CYS 113           HG       CYS 113   3.500 -17.665  -6.250
  884    H    GLU 114           H        GLU 114  -1.132 -15.695  -5.320
  885    HA   GLU 114           HA       GLU 114  -1.432 -14.293  -2.900
  886    HB2  GLU 114           HB2      GLU 114  -1.792 -13.396  -5.194
  887    HB3  GLU 114           HB3      GLU 114  -3.300 -14.303  -5.312
  888    HG2  GLU 114           HG2      GLU 114  -4.191 -13.053  -3.365
  889    HG3  GLU 114           HG3      GLU 114  -2.684 -12.149  -3.241
  890    H    HIS 115           H        HIS 115  -3.585 -16.685  -4.484
  891    HA   HIS 115           HA       HIS 115  -5.768 -16.546  -2.711
  892    HB2  HIS 115           HB2      HIS 115  -5.992 -17.696  -4.810
  893    HB3  HIS 115           HB3      HIS 115  -4.662 -18.790  -4.444
  894    HD2  HIS 115           HD2      HIS 115  -5.071 -20.742  -2.605
  895    HE1  HIS 115           HE1      HIS 115  -9.280 -20.257  -2.203
  896    HE2  HIS 115           HE2      HIS 115  -7.261 -21.617  -1.453
  897    H    PHE 116           H        PHE 116  -2.885 -18.753  -2.650
  898    HA   PHE 116           HA       PHE 116  -3.746 -20.087  -0.325
  899    HB2  PHE 116           HB2      PHE 116  -2.034 -21.100  -1.682
  900    HB3  PHE 116           HB3      PHE 116  -1.025 -19.664  -1.611
  901    HD1  PHE 116           HD1      PHE 116  -2.195 -22.619   0.357
  902    HD2  PHE 116           HD2      PHE 116   0.472 -19.235   0.237
  903    HE1  PHE 116           HE1      PHE 116  -0.962 -23.504   2.324
  904    HE2  PHE 116           HE2      PHE 116   1.665 -20.085   2.228
  905    HZ   PHE 116           HZ       PHE 116   0.970 -22.250   3.259
  906    H    VAL 117           H        VAL 117  -1.460 -17.296  -0.579
  907    HA   VAL 117           HA       VAL 117  -1.041 -17.337   2.249
  908    HB   VAL 117           HB       VAL 117   0.010 -15.192   2.050
  909   HG11  VAL 117          HG11      VAL 117   0.729 -16.987  -0.298
  910   HG12  VAL 117          HG12      VAL 117   1.748 -15.754   0.430
  911   HG13  VAL 117          HG13      VAL 117   1.283 -17.167   1.387
  912   HG21  VAL 117          HG21      VAL 117   0.167 -13.922   0.007
  913   HG22  VAL 117          HG22      VAL 117  -0.859 -15.079  -0.861
  914   HG23  VAL 117          HG23      VAL 117  -1.540 -14.068   0.424
  915    H    ASN 118           H        ASN 118  -3.615 -15.810   0.328
  916    HA   ASN 118           HA       ASN 118  -4.664 -14.274   2.551
  917    HB2  ASN 118           HB2      ASN 118  -5.804 -15.115  -0.132
  918    HB3  ASN 118           HB3      ASN 118  -6.821 -14.413   1.132
  919   HD21  ASN 118          HD22      ASN 118  -3.873 -13.706  -0.806
  920   HD22  ASN 118          HD21      ASN 118  -3.939 -11.973  -0.510
  921    H    GLU 119           H        GLU 119  -5.088 -17.618   1.439
  922    HA   GLU 119           HA       GLU 119  -7.167 -18.359   3.206
  923    HB2  GLU 119           HB2      GLU 119  -5.592 -19.607   1.238
  924    HB3  GLU 119           HB3      GLU 119  -5.093 -20.420   2.721
  925    HG2  GLU 119           HG2      GLU 119  -7.566 -20.819   3.181
  926    HG3  GLU 119           HG3      GLU 119  -7.885 -20.127   1.580
  927    H    LEU 120           H        LEU 120  -3.844 -17.534   3.923
  928    HA   LEU 120           HA       LEU 120  -4.006 -18.834   6.561
  929    HB2  LEU 120           HB2      LEU 120  -1.766 -17.640   4.938
  930    HB3  LEU 120           HB3      LEU 120  -1.604 -17.862   6.683
  931    HG   LEU 120           HG       LEU 120  -1.743 -20.183   6.580
  932   HD11  LEU 120          HD11      LEU 120  -1.981 -21.475   4.441
  933   HD12  LEU 120          HD12      LEU 120  -3.468 -20.670   4.951
  934   HD13  LEU 120          HD13      LEU 120  -2.467 -19.990   3.646
  935   HD21  LEU 120          HD21      LEU 120   0.411 -19.189   5.958
  936   HD22  LEU 120          HD22      LEU 120   0.172 -20.728   5.113
  937   HD23  LEU 120          HD23      LEU 120  -0.056 -19.202   4.244
  938    H    ARG 121           H        ARG 121  -3.565 -15.535   5.106
  939    HA   ARG 121           HA       ARG 121  -3.571 -14.238   7.678
  940    HB2  ARG 121           HB2      ARG 121  -2.622 -13.131   5.758
  941    HB3  ARG 121           HB3      ARG 121  -4.159 -13.182   4.886
  942    HG2  ARG 121           HG2      ARG 121  -3.675 -10.932   5.717
  943    HG3  ARG 121           HG3      ARG 121  -5.143 -11.573   6.457
  944    HD2  ARG 121           HD2      ARG 121  -3.970 -12.062   8.520
  945    HD3  ARG 121           HD3      ARG 121  -2.430 -11.610   7.782
  946    HE   ARG 121           HE       ARG 121  -4.711  -9.724   8.310
  947   HH11  ARG 121          HH21      ARG 121  -1.194 -10.321   8.358
  948   HH12  ARG 121          HH22      ARG 121  -0.793  -8.666   8.718
  949   HH21  ARG 121          HH11      ARG 121  -4.222  -7.692   9.005
  950   HH22  ARG 121          HH12      ARG 121  -2.582  -7.147   9.198
  951    H    TYR 122           H        TYR 122  -6.192 -14.868   5.323
  952    HA   TYR 122           HA       TYR 122  -8.129 -13.782   7.315
  953    HB2  TYR 122           HB2      TYR 122  -8.406 -14.002   4.296
  954    HB3  TYR 122           HB3      TYR 122  -9.541 -13.233   5.392
  955    HD1  TYR 122           HD2      TYR 122  -8.746 -11.175   6.753
  956    HD2  TYR 122           HD1      TYR 122  -6.665 -12.722   3.315
  957    HE1  TYR 122           HE2      TYR 122  -7.491  -9.048   6.564
  958    HE2  TYR 122           HE1      TYR 122  -5.447 -10.578   3.085
  959    HH   TYR 122           HH       TYR 122  -5.801  -7.922   5.473
  960    H    GLY 123           H        GLY 123  -7.107 -16.787   6.348
  961    HA2  GLY 123           HA2      GLY 123  -8.022 -18.737   7.190
  962    HA3  GLY 123           HA3      GLY 123  -9.585 -17.946   7.417
  963    H    VAL 124           H        VAL 124  -9.695 -16.880   4.649
  964    HA   VAL 124           HA       VAL 124  -9.272 -19.030   2.794
  965    HB   VAL 124           HB       VAL 124 -11.441 -19.688   3.775
  966   HG11  VAL 124          HG11      VAL 124 -13.483 -18.437   3.419
  967   HG12  VAL 124          HG12      VAL 124 -12.357 -17.473   4.384
  968   HG13  VAL 124          HG13      VAL 124 -12.591 -17.105   2.660
  969   HG21  VAL 124          HG21      VAL 124 -10.896 -20.267   1.458
  970   HG22  VAL 124          HG22      VAL 124 -12.634 -20.051   1.705
  971   HG23  VAL 124          HG23      VAL 124 -11.696 -18.784   0.893
  972    H    ALA 125           H        ALA 125  -8.909 -18.058   0.707
  973    HA   ALA 125           HA       ALA 125  -8.663 -15.237   0.493
  974    HB1  ALA 125           HB1      ALA 125  -8.465 -15.625  -1.908
  975    HB2  ALA 125           HB2      ALA 125  -7.548 -16.869  -1.032
  976    HB3  ALA 125           HB3      ALA 125  -9.140 -17.253  -1.732
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1   7.949   3.935  -3.914
    2    H2   MET   1           H2       MET   1   9.079   2.792  -4.254
    3    H3   MET   1           H3       MET   1   7.757   2.956  -5.206
    4    HA   MET   1           HA       MET   1   7.506   1.024  -3.803
    5    HB2  MET   1           HB2      MET   1   7.689   3.042  -1.518
    6    HB3  MET   1           HB3      MET   1   7.181   1.365  -1.361
    7    HG2  MET   1           HG2      MET   1   9.924   2.297  -2.287
    8    HG3  MET   1           HG3      MET   1   9.526   1.727  -0.679
    9    HE1  MET   1           HE1      MET   1   8.017  -0.864  -0.679
   10    HE2  MET   1           HE2      MET   1   9.312  -2.056  -0.907
   11    HE3  MET   1           HE3      MET   1   9.594  -0.630   0.112
   12    H    ARG   2           H        ARG   2   5.431   0.546  -4.351
   13    HA   ARG   2           HA       ARG   2   3.339   2.590  -4.386
   14    HB2  ARG   2           HB2      ARG   2   3.394   0.747  -6.037
   15    HB3  ARG   2           HB3      ARG   2   3.238  -0.435  -4.744
   16    HG2  ARG   2           HG2      ARG   2   1.152  -0.163  -5.918
   17    HG3  ARG   2           HG3      ARG   2   0.954   0.337  -4.248
   18    HD2  ARG   2           HD2      ARG   2   1.461   2.311  -6.517
   19    HD3  ARG   2           HD3      ARG   2  -0.161   1.750  -6.077
   20    HE   ARG   2           HE       ARG   2   1.003   2.629  -3.698
   21   HH11  ARG   2          HH21      ARG   2   0.036   4.099  -6.787
   22   HH12  ARG   2          HH22      ARG   2  -0.243   5.663  -6.115
   23   HH21  ARG   2          HH11      ARG   2   0.640   4.690  -2.807
   24   HH22  ARG   2          HH12      ARG   2   0.105   6.003  -3.787
   25    H    ALA   3           H        ALA   3   4.487   0.019  -2.191
   26    HA   ALA   3           HA       ALA   3   2.967   1.319  -0.030
   27    HB1  ALA   3           HB1      ALA   3   2.391  -0.900   0.939
   28    HB2  ALA   3           HB2      ALA   3   1.565  -0.614  -0.607
   29    HB3  ALA   3           HB3      ALA   3   2.977  -1.694  -0.535
   30    HA   PRO   4           HA       PRO   4   7.318   0.767   1.193
   31    HB2  PRO   4           HB2      PRO   4   7.325   2.173   3.539
   32    HB3  PRO   4           HB3      PRO   4   7.233   2.962   1.939
   33    HG2  PRO   4           HG2      PRO   4   4.951   2.316   3.828
   34    HG3  PRO   4           HG3      PRO   4   5.292   3.858   2.987
   35    HD2  PRO   4           HD2      PRO   4   3.514   2.000   2.021
   36    HD3  PRO   4           HD3      PRO   4   4.498   3.027   0.933
   37    H    ILE   5           H        ILE   5   8.360   0.074   3.436
   38    HA   ILE   5           HA       ILE   5   6.712  -2.015   4.776
   39    HB   ILE   5           HB       ILE   5   8.858  -3.371   4.865
   40   HG12  ILE   5          HG12      ILE   5   9.714  -1.650   2.484
   41   HG13  ILE   5          HG13      ILE   5  10.396  -1.476   4.101
   42   HG21  ILE   5          HG21      ILE   5   6.910  -3.918   3.469
   43   HG22  ILE   5          HG22      ILE   5   7.565  -2.928   2.142
   44   HG23  ILE   5          HG23      ILE   5   8.408  -4.398   2.678
   45   HD11  ILE   5          HD11      ILE   5  11.884  -2.818   2.776
   46   HD12  ILE   5          HD12      ILE   5  11.150  -3.856   4.014
   47   HD13  ILE   5          HD13      ILE   5  10.590  -3.934   2.321
   48    HA   PRO   6           HA       PRO   6   8.827   1.160   7.415
   49    HB2  PRO   6           HB2      PRO   6   6.768   2.430   8.638
   50    HB3  PRO   6           HB3      PRO   6   7.179   2.736   6.921
   51    HG2  PRO   6           HG2      PRO   6   5.025   0.883   7.986
   52    HG3  PRO   6           HG3      PRO   6   4.887   2.143   6.721
   53    HD2  PRO   6           HD2      PRO   6   5.341  -0.500   6.113
   54    HD3  PRO   6           HD3      PRO   6   6.011   0.854   5.157
   55    H    GLU   7           H        GLU   7   6.116  -0.895   8.458
   56    HA   GLU   7           HA       GLU   7   7.517  -1.608  10.967
   57    HB2  GLU   7           HB2      GLU   7   4.691  -0.462  10.836
   58    HB3  GLU   7           HB3      GLU   7   5.506  -1.050  12.289
   59    HG2  GLU   7           HG2      GLU   7   7.223   0.747  12.019
   60    HG3  GLU   7           HG3      GLU   7   6.262   1.408  10.687
   61    HA   PRO   8           HA       PRO   8   4.421  -4.830   9.044
   62    HB2  PRO   8           HB2      PRO   8   6.014  -6.624   7.709
   63    HB3  PRO   8           HB3      PRO   8   5.316  -5.166   6.945
   64    HG2  PRO   8           HG2      PRO   8   8.093  -5.487   8.115
   65    HG3  PRO   8           HG3      PRO   8   7.634  -4.827   6.510
   66    HD2  PRO   8           HD2      PRO   8   8.130  -3.188   8.613
   67    HD3  PRO   8           HD3      PRO   8   6.806  -2.839   7.458
   68    H    LYS   9           H        LYS   9   4.119  -7.030   9.845
   69    HA   LYS   9           HA       LYS   9   6.082  -7.923  11.901
   70    HB2  LYS   9           HB2      LYS   9   3.071  -7.534  12.263
   71    HB3  LYS   9           HB3      LYS   9   4.103  -8.357  13.423
   72    HG2  LYS   9           HG2      LYS   9   4.392  -5.434  12.628
   73    HG3  LYS   9           HG3      LYS   9   3.536  -6.015  14.049
   74    HD2  LYS   9           HD2      LYS   9   5.539  -6.921  15.034
   75    HD3  LYS   9           HD3      LYS   9   6.501  -6.599  13.590
   76    HE2  LYS   9           HE2      LYS   9   5.119  -4.431  15.225
   77    HE3  LYS   9           HE3      LYS   9   6.789  -4.946  15.482
   78    HZ1  LYS   9           HZ1      LYS   9   5.755  -3.797  12.946
   79    HZ2  LYS   9           HZ2      LYS   9   6.694  -3.021  14.051
   80    HZ3  LYS   9           HZ3      LYS   9   7.293  -4.292  13.213
   81    HA   PRO  10           HA       PRO  10   5.232 -12.058  10.388
   82    HB2  PRO  10           HB2      PRO  10   4.976 -12.626  13.353
   83    HB3  PRO  10           HB3      PRO  10   5.774 -13.615  12.086
   84    HG2  PRO  10           HG2      PRO  10   7.274 -12.034  13.681
   85    HG3  PRO  10           HG3      PRO  10   7.579 -12.011  11.912
   86    HD2  PRO  10           HD2      PRO  10   5.991 -10.033  13.557
   87    HD3  PRO  10           HD3      PRO  10   7.194  -9.735  12.262
   88    H    GLY  11           H        GLY  11   3.349 -13.089   9.786
   89    HA2  GLY  11           HA2      GLY  11   1.063 -13.694   9.988
   90    HA3  GLY  11           HA3      GLY  11   0.774 -12.313  11.057
   91    H    ASP  12           H        ASP  12   2.680 -10.741   8.930
   92    HA   ASP  12           HA       ASP  12   0.369  -9.778   7.432
   93    HB2  ASP  12           HB2      ASP  12   3.285  -8.926   7.526
   94    HB3  ASP  12           HB3      ASP  12   2.085  -8.210   6.450
   95    H    LEU  13           H        LEU  13   0.191  -9.577   5.203
   96    HA   LEU  13           HA       LEU  13   1.293 -11.790   3.594
   97    HB2  LEU  13           HB2      LEU  13  -0.413  -9.364   2.861
   98    HB3  LEU  13           HB3      LEU  13   0.148 -10.586   1.730
   99    HG   LEU  13           HG       LEU  13  -1.955 -10.922   3.871
  100   HD11  LEU  13          HD11      LEU  13  -2.549  -9.946   1.668
  101   HD12  LEU  13          HD12      LEU  13  -1.971 -11.422   0.879
  102   HD13  LEU  13          HD13      LEU  13  -3.355 -11.489   2.006
  103   HD21  LEU  13          HD21      LEU  13  -0.690 -12.960   4.050
  104   HD22  LEU  13          HD22      LEU  13  -2.024 -13.330   2.939
  105   HD23  LEU  13          HD23      LEU  13  -0.396 -12.994   2.304
  106    H    ILE  14           H        ILE  14   2.902 -11.605   2.118
  107    HA   ILE  14           HA       ILE  14   4.236  -8.961   1.743
  108    HB   ILE  14           HB       ILE  14   5.380 -11.782   1.891
  109   HG12  ILE  14          HG12      ILE  14   4.875 -10.989   4.125
  110   HG13  ILE  14          HG13      ILE  14   6.603 -11.111   3.868
  111   HG21  ILE  14          HG21      ILE  14   7.598 -10.717   1.638
  112   HG22  ILE  14          HG22      ILE  14   6.585 -10.517   0.216
  113   HG23  ILE  14          HG23      ILE  14   6.788  -9.156   1.322
  114   HD11  ILE  14          HD11      ILE  14   6.039  -9.103   5.159
  115   HD12  ILE  14          HD12      ILE  14   6.770  -8.646   3.613
  116   HD13  ILE  14          HD13      ILE  14   5.012  -8.509   3.847
  117    H    GLU  15           H        GLU  15   4.268  -8.345  -0.354
  118    HA   GLU  15           HA       GLU  15   3.738 -10.404  -2.446
  119    HB2  GLU  15           HB2      GLU  15   3.204  -8.676  -3.986
  120    HB3  GLU  15           HB3      GLU  15   2.143  -8.518  -2.584
  121    HG2  GLU  15           HG2      GLU  15   3.429  -6.631  -1.749
  122    HG3  GLU  15           HG3      GLU  15   4.676  -6.887  -2.988
  123    H    ILE  16           H        ILE  16   5.233 -10.383  -4.107
  124    HA   ILE  16           HA       ILE  16   8.002  -9.503  -3.460
  125    HB   ILE  16           HB       ILE  16   6.858 -12.103  -4.550
  126   HG12  ILE  16          HG12      ILE  16   6.564 -11.958  -2.117
  127   HG13  ILE  16          HG13      ILE  16   7.593 -13.267  -2.632
  128   HG21  ILE  16          HG21      ILE  16   9.755 -11.291  -4.216
  129   HG22  ILE  16          HG22      ILE  16   9.201 -12.953  -4.524
  130   HG23  ILE  16          HG23      ILE  16   8.910 -11.679  -5.712
  131   HD11  ILE  16          HD11      ILE  16   8.500 -12.192  -0.629
  132   HD12  ILE  16          HD12      ILE  16   9.615 -11.943  -1.984
  133   HD13  ILE  16          HD13      ILE  16   8.546 -10.629  -1.463
  134    H    PHE  17           H        PHE  17   8.517  -8.040  -5.046
  135    HA   PHE  17           HA       PHE  17   6.930  -7.852  -7.496
  136    HB2  PHE  17           HB2      PHE  17   8.683  -6.150  -6.006
  137    HB3  PHE  17           HB3      PHE  17   9.425  -6.368  -7.579
  138    HD1  PHE  17           HD2      PHE  17   6.307  -5.300  -5.819
  139    HD2  PHE  17           HD1      PHE  17   8.489  -5.326  -9.548
  140    HE1  PHE  17           HE2      PHE  17   4.696  -3.677  -6.784
  141    HE2  PHE  17           HE1      PHE  17   6.879  -3.692 -10.498
  142    HZ   PHE  17           HZ       PHE  17   4.980  -2.865  -9.118
  143    H    ARG  18           H        ARG  18   7.404  -8.831  -9.459
  144    HA   ARG  18           HA       ARG  18  10.031 -10.202  -9.719
  145    HB2  ARG  18           HB2      ARG  18   7.220 -11.038 -10.532
  146    HB3  ARG  18           HB3      ARG  18   8.653 -11.910 -11.018
  147    HG2  ARG  18           HG2      ARG  18   8.529 -11.490  -8.082
  148    HG3  ARG  18           HG3      ARG  18   7.126 -12.340  -8.701
  149    HD2  ARG  18           HD2      ARG  18   8.296 -14.184  -9.307
  150    HD3  ARG  18           HD3      ARG  18   9.771 -13.291  -9.698
  151    HE   ARG  18           HE       ARG  18  10.025 -12.945  -7.192
  152   HH11  ARG  18          HH21      ARG  18   8.720 -15.942  -8.583
  153   HH12  ARG  18          HH22      ARG  18   9.321 -16.948  -7.320
  154   HH21  ARG  18          HH11      ARG  18  10.868 -14.279  -5.526
  155   HH22  ARG  18          HH12      ARG  18  10.597 -15.983  -5.580
  156    HA   PRO  19           HA       PRO  19  11.120  -8.090 -13.177
  157    HB2  PRO  19           HB2      PRO  19  10.604 -10.420 -15.043
  158    HB3  PRO  19           HB3      PRO  19  12.008  -9.303 -15.009
  159    HG2  PRO  19           HG2      PRO  19  12.200 -11.711 -13.805
  160    HG3  PRO  19           HG3      PRO  19  12.795 -10.252 -12.946
  161    HD2  PRO  19           HD2      PRO  19  10.198 -11.737 -12.565
  162    HD3  PRO  19           HD3      PRO  19  11.293 -11.046 -11.334
  163    H    PHE  20           H        PHE  20   8.103  -9.784 -14.020
  164    HA   PHE  20           HA       PHE  20   7.062  -7.272 -15.224
  165    HB2  PHE  20           HB2      PHE  20   6.812 -10.021 -16.516
  166    HB3  PHE  20           HB3      PHE  20   6.145  -8.519 -17.130
  167    HD1  PHE  20           HD2      PHE  20   7.737  -6.646 -17.867
  168    HD2  PHE  20           HD1      PHE  20   9.037 -10.692 -17.111
  169    HE1  PHE  20           HE2      PHE  20   9.803  -6.232 -19.182
  170    HE2  PHE  20           HE1      PHE  20  11.102 -10.270 -18.420
  171    HZ   PHE  20           HZ       PHE  20  11.490  -8.041 -19.457
  172    H    TYR  21           H        TYR  21   6.610  -9.025 -12.631
  173    HA   TYR  21           HA       TYR  21   3.713  -9.092 -12.646
  174    HB2  TYR  21           HB2      TYR  21   3.479 -11.510 -12.384
  175    HB3  TYR  21           HB3      TYR  21   4.133 -11.111 -13.942
  176    HD1  TYR  21           HD2      TYR  21   6.538 -11.617 -14.501
  177    HD2  TYR  21           HD1      TYR  21   4.772 -12.806 -10.769
  178    HE1  TYR  21           HE2      TYR  21   8.312 -13.321 -14.209
  179    HE2  TYR  21           HE1      TYR  21   6.445 -14.587 -10.509
  180    HH   TYR  21           HH       TYR  21   9.117 -15.072 -12.879
  181    H    ARG  22           H        ARG  22   3.447 -10.954 -10.458
  182    HA   ARG  22           HA       ARG  22   5.388 -10.138  -8.468
  183    HB2  ARG  22           HB2      ARG  22   3.625  -9.563  -6.763
  184    HB3  ARG  22           HB3      ARG  22   3.980  -8.353  -7.977
  185    HG2  ARG  22           HG2      ARG  22   1.609  -8.448  -7.403
  186    HG3  ARG  22           HG3      ARG  22   1.882  -8.754  -9.118
  187    HD2  ARG  22           HD2      ARG  22   1.472 -11.102  -8.846
  188    HD3  ARG  22           HD3      ARG  22   1.528 -10.998  -7.092
  189    HE   ARG  22           HE       ARG  22  -0.676 -10.233  -7.046
  190   HH11  ARG  22          HH11      ARG  22   0.351 -10.103 -10.457
  191   HH12  ARG  22          HH12      ARG  22  -1.268 -10.082 -11.044
  192   HH21  ARG  22          HH21      ARG  22  -2.680 -10.359  -7.777
  193   HH22  ARG  22          HH22      ARG  22  -3.085 -10.153  -9.469
  194    H    HIS  23           H        HIS  23   5.287 -11.423  -6.585
  195    HA   HIS  23           HA       HIS  23   3.855 -14.009  -6.821
  196    HB2  HIS  23           HB2      HIS  23   6.142 -14.434  -7.506
  197    HB3  HIS  23           HB3      HIS  23   6.800 -13.490  -6.181
  198    HD2  HIS  23           HD2      HIS  23   7.962 -15.138  -4.543
  199    HE1  HIS  23           HE1      HIS  23   4.985 -18.169  -4.373
  200    HE2  HIS  23           HE2      HIS  23   7.241 -17.429  -3.462
  201    H    TRP  24           H        TRP  24   3.973 -15.012  -4.402
  202    HA   TRP  24           HA       TRP  24   3.606 -12.808  -2.442
  203    HB2  TRP  24           HB2      TRP  24   1.530 -14.889  -3.190
  204    HB3  TRP  24           HB3      TRP  24   1.506 -13.972  -1.706
  205    HD1  TRP  24           HD1      TRP  24   0.924 -13.531  -5.446
  206    HE1  TRP  24           HE1      TRP  24  -0.551 -11.453  -5.732
  207    HE3  TRP  24           HE3      TRP  24   1.179 -11.689  -0.735
  208    HZ2  TRP  24           HZ2      TRP  24  -1.224  -9.070  -4.224
  209    HZ3  TRP  24           HZ3      TRP  24   0.095  -9.493  -0.153
  210    HH2  TRP  24           HH2      TRP  24  -1.131  -8.221  -1.880
  211    H    ALA  25           H        ALA  25   3.795 -13.335  -0.352
  212    HA   ALA  25           HA       ALA  25   4.446 -16.048   0.544
  213    HB1  ALA  25           HB1      ALA  25   6.605 -14.999  -0.256
  214    HB2  ALA  25           HB2      ALA  25   6.341 -13.662   0.883
  215    HB3  ALA  25           HB3      ALA  25   6.578 -15.320   1.476
  216    H    ILE  26           H        ILE  26   4.705 -15.874   3.057
  217    HA   ILE  26           HA       ILE  26   3.171 -13.588   4.180
  218    HB   ILE  26           HB       ILE  26   1.800 -15.638   3.645
  219   HG12  ILE  26          HG12      ILE  26   1.854 -14.869   6.593
  220   HG13  ILE  26          HG13      ILE  26   1.188 -13.864   5.291
  221   HG21  ILE  26          HG21      ILE  26   3.245 -16.941   5.980
  222   HG22  ILE  26          HG22      ILE  26   1.906 -17.609   5.041
  223   HG23  ILE  26          HG23      ILE  26   3.452 -17.364   4.264
  224   HD11  ILE  26          HD11      ILE  26  -0.664 -15.078   6.181
  225   HD12  ILE  26          HD12      ILE  26  -0.255 -15.825   4.612
  226   HD13  ILE  26          HD13      ILE  26   0.231 -16.614   6.128
  227    H    TYR  27           H        TYR  27   3.940 -12.851   6.114
  228    HA   TYR  27           HA       TYR  27   6.681 -13.592   6.691
  229    HB2  TYR  27           HB2      TYR  27   5.414 -11.264   6.515
  230    HB3  TYR  27           HB3      TYR  27   4.961 -11.577   8.166
  231    HD1  TYR  27           HD1      TYR  27   8.425 -12.527   6.998
  232    HD2  TYR  27           HD2      TYR  27   5.946  -9.393   8.620
  233    HE1  TYR  27           HE1      TYR  27  10.427 -11.254   7.572
  234    HE2  TYR  27           HE2      TYR  27   7.974  -8.131   9.282
  235    HH   TYR  27           HH       TYR  27  11.288  -9.310   8.546
  236    H    VAL  28           H        VAL  28   7.402 -14.854   8.347
  237    HA   VAL  28           HA       VAL  28   5.411 -15.674  10.429
  238    HB   VAL  28           HB       VAL  28   6.216 -17.977  10.249
  239   HG11  VAL  28          HG11      VAL  28   5.193 -17.004   7.558
  240   HG12  VAL  28          HG12      VAL  28   4.993 -18.609   8.288
  241   HG13  VAL  28          HG13      VAL  28   4.186 -17.208   9.007
  242   HG21  VAL  28          HG21      VAL  28   7.659 -17.186   7.694
  243   HG22  VAL  28          HG22      VAL  28   8.475 -17.479   9.242
  244   HG23  VAL  28          HG23      VAL  28   7.586 -18.784   8.462
  245    H    GLY  29           H        GLY  29   8.428 -14.269   9.973
  246    HA2  GLY  29           HA2      GLY  29   9.017 -14.388  12.779
  247    HA3  GLY  29           HA3      GLY  29  10.184 -15.317  11.809
  248    H    ASP  30           H        ASP  30  11.417 -13.307  12.897
  249    HA   ASP  30           HA       ASP  30  11.056 -10.756  11.592
  250    HB2  ASP  30           HB2      ASP  30  11.731 -11.024  13.957
  251    HB3  ASP  30           HB3      ASP  30  13.247 -11.767  13.446
  252    H    GLY  31           H        GLY  31  11.435 -12.568   9.570
  253    HA2  GLY  31           HA2      GLY  31  13.241 -11.580   7.820
  254    HA3  GLY  31           HA3      GLY  31  14.230 -12.755   8.707
  255    H    TYR  32           H        TYR  32  11.882 -14.628   9.124
  256    HA   TYR  32           HA       TYR  32  12.130 -15.954   6.509
  257    HB2  TYR  32           HB2      TYR  32  11.034 -16.848   9.192
  258    HB3  TYR  32           HB3      TYR  32  10.912 -17.810   7.727
  259    HD1  TYR  32           HD2      TYR  32  12.995 -18.570   6.496
  260    HD2  TYR  32           HD1      TYR  32  13.128 -16.790  10.434
  261    HE1  TYR  32           HE2      TYR  32  15.242 -19.533   6.852
  262    HE2  TYR  32           HE1      TYR  32  15.386 -17.735  10.786
  263    HH   TYR  32           HH       TYR  32  17.111 -19.016   9.880
  264    H    VAL  33           H        VAL  33  10.474 -16.665   5.252
  265    HA   VAL  33           HA       VAL  33   7.717 -15.837   5.884
  266    HB   VAL  33           HB       VAL  33   7.405 -15.494   3.418
  267   HG11  VAL  33          HG11      VAL  33   8.188 -13.195   3.323
  268   HG12  VAL  33          HG12      VAL  33   7.423 -13.563   4.834
  269   HG13  VAL  33          HG13      VAL  33   9.201 -13.467   4.775
  270   HG21  VAL  33          HG21      VAL  33   9.504 -16.536   2.581
  271   HG22  VAL  33          HG22      VAL  33   9.295 -14.883   1.988
  272   HG23  VAL  33          HG23      VAL  33  10.438 -15.217   3.304
  273    H    VAL  34           H        VAL  34   6.149 -17.214   4.905
  274    HA   VAL  34           HA       VAL  34   7.118 -19.860   3.920
  275    HB   VAL  34           HB       VAL  34   4.607 -18.975   5.380
  276   HG11  VAL  34          HG11      VAL  34   4.946 -21.560   3.811
  277   HG12  VAL  34          HG12      VAL  34   3.675 -21.255   5.015
  278   HG13  VAL  34          HG13      VAL  34   3.727 -20.287   3.543
  279   HG21  VAL  34          HG21      VAL  34   6.611 -21.207   5.835
  280   HG22  VAL  34          HG22      VAL  34   6.531 -19.674   6.712
  281   HG23  VAL  34          HG23      VAL  34   5.207 -20.843   6.869
  282    H    HIS  35           H        HIS  35   6.343 -20.452   1.814
  283    HA   HIS  35           HA       HIS  35   4.509 -18.686   0.432
  284    HB2  HIS  35           HB2      HIS  35   5.934 -17.760  -1.187
  285    HB3  HIS  35           HB3      HIS  35   6.679 -17.408   0.358
  286    HD2  HIS  35           HD2      HIS  35   8.399 -20.111   0.771
  287    HE1  HIS  35           HE1      HIS  35  10.212 -19.060  -2.933
  288    HE2  HIS  35           HE2      HIS  35  10.464 -20.441  -0.813
  289    H    LEU  36           H        LEU  36   4.270 -19.343  -1.877
  290    HA   LEU  36           HA       LEU  36   4.280 -22.276  -2.132
  291    HB2  LEU  36           HB2      LEU  36   2.471 -20.295  -2.842
  292    HB3  LEU  36           HB3      LEU  36   3.359 -20.455  -4.340
  293    HG   LEU  36           HG       LEU  36   1.307 -21.778  -4.257
  294   HD11  LEU  36          HD11      LEU  36   3.691 -23.628  -4.364
  295   HD12  LEU  36          HD12      LEU  36   2.089 -23.855  -5.090
  296   HD13  LEU  36          HD13      LEU  36   3.141 -22.557  -5.673
  297   HD21  LEU  36          HD21      LEU  36   1.414 -22.261  -1.762
  298   HD22  LEU  36          HD22      LEU  36   0.889 -23.588  -2.796
  299   HD23  LEU  36          HD23      LEU  36   2.540 -23.580  -2.154
  300    H    ALA  37           H        ALA  37   5.723 -23.328  -3.567
  301    HA   ALA  37           HA       ALA  37   7.642 -21.708  -5.131
  302    HB1  ALA  37           HB1      ALA  37   8.503 -21.781  -2.804
  303    HB2  ALA  37           HB2      ALA  37   8.336 -23.551  -2.798
  304    HB3  ALA  37           HB3      ALA  37   9.518 -22.768  -3.871
  305    HA   PRO  38           HA       PRO  38   7.670 -25.547  -7.505
  306    HB2  PRO  38           HB2      PRO  38  10.111 -25.443  -8.755
  307    HB3  PRO  38           HB3      PRO  38   8.759 -24.352  -9.188
  308    HG2  PRO  38           HG2      PRO  38  11.097 -23.788  -7.335
  309    HG3  PRO  38           HG3      PRO  38  10.481 -22.775  -8.680
  310    HD2  PRO  38           HD2      PRO  38   9.769 -22.330  -6.087
  311    HD3  PRO  38           HD3      PRO  38   8.607 -22.086  -7.423
  312    HA   PRO  39           HA       PRO  39   9.954 -28.483  -4.995
  313    HB2  PRO  39           HB2      PRO  39  10.842 -30.380  -6.825
  314    HB3  PRO  39           HB3      PRO  39   9.182 -30.287  -6.173
  315    HG2  PRO  39           HG2      PRO  39  10.218 -29.214  -8.799
  316    HG3  PRO  39           HG3      PRO  39   8.697 -30.105  -8.479
  317    HD2  PRO  39           HD2      PRO  39   8.740 -27.402  -8.729
  318    HD3  PRO  39           HD3      PRO  39   7.668 -28.196  -7.539
  319    H    SER  40           H        SER  40  11.604 -27.484  -8.052
  320    HA   SER  40           HA       SER  40  13.706 -26.215  -6.575
  321    HB2  SER  40           HB2      SER  40  14.371 -28.644  -8.316
  322    HB3  SER  40           HB3      SER  40  15.558 -27.449  -7.755
  323    HG   SER  40           HG       SER  40  13.943 -28.540  -5.796
  324    H    GLU  41           H        GLU  41  14.645 -24.622  -7.942
  325    HA   GLU  41           HA       GLU  41  13.213 -24.201 -10.468
  326    HB2  GLU  41           HB2      GLU  41  13.330 -22.502  -8.557
  327    HB3  GLU  41           HB3      GLU  41  15.042 -22.322  -8.909
  328    HG2  GLU  41           HG2      GLU  41  13.831 -20.474  -9.828
  329    HG3  GLU  41           HG3      GLU  41  14.452 -21.401 -11.168
  330    H    VAL  42           H        VAL  42  15.569 -25.968  -9.880
  331    HA   VAL  42           HA       VAL  42  16.777 -25.834 -12.496
  332    HB   VAL  42           HB       VAL  42  19.075 -26.328 -11.558
  333   HG11  VAL  42          HG11      VAL  42  18.143 -23.462 -11.102
  334   HG12  VAL  42          HG12      VAL  42  19.792 -24.008 -11.458
  335   HG13  VAL  42          HG13      VAL  42  18.525 -24.177 -12.684
  336   HG21  VAL  42          HG21      VAL  42  19.744 -25.410  -9.389
  337   HG22  VAL  42          HG22      VAL  42  18.079 -24.912  -9.037
  338   HG23  VAL  42          HG23      VAL  42  18.493 -26.637  -9.157
  339    H    ALA  43           H        ALA  43  17.699 -27.998 -12.966
  340    HA   ALA  43           HA       ALA  43  17.194 -30.175 -13.172
  341    HB1  ALA  43           HB1      ALA  43  19.129 -30.166 -11.649
  342    HB2  ALA  43           HB2      ALA  43  18.032 -30.191 -10.249
  343    HB3  ALA  43           HB3      ALA  43  18.085 -31.572 -11.368
  344    H    GLY  44           H        GLY  44  14.839 -28.766 -12.880
  345    HA2  GLY  44           HA2      GLY  44  12.877 -30.557 -11.742
  346    HA3  GLY  44           HA3      GLY  44  13.196 -29.154 -10.710
  347    H    ALA  45           H        ALA  45  11.851 -27.465 -11.104
  348    HA   ALA  45           HA       ALA  45  10.183 -27.366 -13.476
  349    HB1  ALA  45           HB1      ALA  45   9.257 -25.357 -12.404
  350    HB2  ALA  45           HB2      ALA  45   9.394 -26.674 -11.226
  351    HB3  ALA  45           HB3      ALA  45  10.585 -25.347 -11.226
  352    H    GLY  46           H        GLY  46  13.365 -26.283 -12.847
  353    HA2  GLY  46           HA2      GLY  46  13.445 -23.874 -14.427
  354    HA3  GLY  46           HA3      GLY  46  14.813 -24.843 -13.878
  355    H    ALA  47           H        ALA  47  15.535 -24.102 -16.065
  356    HA   ALA  47           HA       ALA  47  14.416 -24.851 -18.484
  357    HB1  ALA  47           HB1      ALA  47  17.367 -24.491 -17.815
  358    HB2  ALA  47           HB2      ALA  47  16.642 -24.399 -19.433
  359    HB3  ALA  47           HB3      ALA  47  16.216 -23.189 -18.210
  360    H    ALA  48           H        ALA  48  16.041 -27.010 -16.275
  361    HA   ALA  48           HA       ALA  48  16.920 -29.081 -17.962
  362    HB1  ALA  48           HB1      ALA  48  15.449 -29.331 -15.298
  363    HB2  ALA  48           HB2      ALA  48  16.460 -30.568 -16.060
  364    HB3  ALA  48           HB3      ALA  48  17.208 -29.062 -15.492
  365    H    SER  49           H        SER  49  13.616 -28.048 -17.185
  366    HA   SER  49           HA       SER  49  11.598 -28.713 -17.856
  367    HB2  SER  49           HB2      SER  49  13.035 -29.664 -20.359
  368    HB3  SER  49           HB3      SER  49  11.341 -29.164 -20.216
  369    HG   SER  49           HG       SER  49  13.674 -27.564 -19.877
  370    H    VAL  50           H        VAL  50  12.854 -30.597 -16.145
  371    HA   VAL  50           HA       VAL  50  12.294 -33.281 -17.161
  372    HB   VAL  50           HB       VAL  50  12.936 -33.998 -14.860
  373   HG11  VAL  50          HG11      VAL  50  14.939 -32.271 -16.356
  374   HG12  VAL  50          HG12      VAL  50  15.326 -33.523 -15.157
  375   HG13  VAL  50          HG13      VAL  50  14.550 -33.967 -16.685
  376   HG21  VAL  50          HG21      VAL  50  13.752 -31.100 -14.419
  377   HG22  VAL  50          HG22      VAL  50  12.350 -31.879 -13.648
  378   HG23  VAL  50          HG23      VAL  50  13.984 -32.471 -13.322
  379    H    MET  51           H        MET  51  11.036 -34.542 -15.062
  380    HA   MET  51           HA       MET  51   8.422 -34.373 -15.732
  381    HB2  MET  51           HB2      MET  51   9.561 -35.290 -13.062
  382    HB3  MET  51           HB3      MET  51   7.929 -35.618 -13.645
  383    HG2  MET  51           HG2      MET  51   9.136 -37.562 -14.113
  384    HG3  MET  51           HG3      MET  51   8.933 -36.752 -15.662
  385    HE1  MET  51           HE1      MET  51  10.878 -39.196 -15.237
  386    HE2  MET  51           HE2      MET  51  10.706 -38.331 -16.782
  387    HE3  MET  51           HE3      MET  51  12.322 -38.647 -16.115
  388    H    SER  52           H        SER  52   9.921 -32.454 -13.072
  389    HA   SER  52           HA       SER  52   7.582 -31.482 -11.892
  390    HB2  SER  52           HB2      SER  52  10.077 -29.843 -12.304
  391    HB3  SER  52           HB3      SER  52   9.015 -29.872 -10.894
  392    HG   SER  52           HG       SER  52   9.824 -31.968 -10.434
  393    H    ALA  53           H        ALA  53   9.288 -30.334 -14.839
  394    HA   ALA  53           HA       ALA  53   7.546 -27.973 -15.134
  395    HB1  ALA  53           HB1      ALA  53   8.833 -27.626 -17.191
  396    HB2  ALA  53           HB2      ALA  53   9.948 -27.933 -15.844
  397    HB3  ALA  53           HB3      ALA  53   9.587 -29.223 -17.021
  398    H    LEU  54           H        LEU  54   7.784 -31.319 -16.206
  399    HA   LEU  54           HA       LEU  54   5.876 -31.105 -18.371
  400    HB2  LEU  54           HB2      LEU  54   7.811 -32.775 -18.082
  401    HB3  LEU  54           HB3      LEU  54   6.793 -33.591 -16.893
  402    HG   LEU  54           HG       LEU  54   5.146 -34.159 -18.623
  403   HD11  LEU  54          HD11      LEU  54   6.992 -32.658 -20.536
  404   HD12  LEU  54          HD12      LEU  54   5.667 -33.736 -21.031
  405   HD13  LEU  54          HD13      LEU  54   5.302 -32.253 -20.152
  406   HD21  LEU  54          HD21      LEU  54   7.055 -35.654 -18.213
  407   HD22  LEU  54          HD22      LEU  54   6.527 -35.718 -19.900
  408   HD23  LEU  54          HD23      LEU  54   7.994 -34.812 -19.466
  409    H    THR  55           H        THR  55   5.294 -30.668 -15.151
  410    HA   THR  55           HA       THR  55   2.567 -31.750 -15.258
  411    HB   THR  55           HB       THR  55   2.839 -32.392 -12.829
  412    HG1  THR  55           HG1      THR  55   5.605 -32.431 -13.446
  413   HG21  THR  55          HG21      THR  55   3.796 -34.591 -13.234
  414   HG22  THR  55          HG22      THR  55   2.775 -34.116 -14.601
  415   HG23  THR  55          HG23      THR  55   4.544 -34.035 -14.747
  416    H    ASP  56           H        ASP  56   1.423 -30.660 -13.194
  417    HA   ASP  56           HA       ASP  56   2.239 -27.819 -13.208
  418    HB2  ASP  56           HB2      ASP  56   0.110 -27.124 -13.815
  419    HB3  ASP  56           HB3      ASP  56   0.486 -28.441 -14.921
  420    H    LYS  57           H        LYS  57   2.674 -29.725 -11.168
  421    HA   LYS  57           HA       LYS  57   0.937 -28.833  -8.920
  422    HB2  LYS  57           HB2      LYS  57   2.119 -30.584  -7.635
  423    HB3  LYS  57           HB3      LYS  57   1.285 -31.226  -9.050
  424    HG2  LYS  57           HG2      LYS  57   3.371 -31.503 -10.252
  425    HG3  LYS  57           HG3      LYS  57   4.258 -30.566  -9.038
  426    HD2  LYS  57           HD2      LYS  57   4.705 -32.930  -8.782
  427    HD3  LYS  57           HD3      LYS  57   3.880 -32.277  -7.355
  428    HE2  LYS  57           HE2      LYS  57   1.706 -33.201  -8.278
  429    HE3  LYS  57           HE3      LYS  57   2.634 -33.955  -9.584
  430    HZ1  LYS  57           HZ1      LYS  57   3.844 -35.196  -7.844
  431    HZ2  LYS  57           HZ2      LYS  57   2.905 -34.512  -6.676
  432    HZ3  LYS  57           HZ3      LYS  57   2.244 -35.507  -7.794
  433    H    ALA  58           H        ALA  58   2.276 -28.420  -6.875
  434    HA   ALA  58           HA       ALA  58   4.931 -27.241  -7.180
  435    HB1  ALA  58           HB1      ALA  58   3.523 -25.379  -7.974
  436    HB2  ALA  58           HB2      ALA  58   2.538 -25.486  -6.506
  437    HB3  ALA  58           HB3      ALA  58   4.248 -24.997  -6.405
  438    H    ILE  59           H        ILE  59   5.109 -25.877  -4.734
  439    HA   ILE  59           HA       ILE  59   4.279 -27.813  -2.665
  440    HB   ILE  59           HB       ILE  59   7.093 -27.349  -3.687
  441   HG12  ILE  59          HG12      ILE  59   5.536 -29.798  -2.801
  442   HG13  ILE  59          HG13      ILE  59   5.841 -29.325  -4.480
  443   HG21  ILE  59          HG21      ILE  59   6.503 -28.468  -0.912
  444   HG22  ILE  59          HG22      ILE  59   8.100 -28.330  -1.682
  445   HG23  ILE  59          HG23      ILE  59   7.238 -26.884  -1.236
  446   HD11  ILE  59          HD11      ILE  59   8.312 -29.647  -4.004
  447   HD12  ILE  59          HD12      ILE  59   7.821 -30.426  -2.479
  448   HD13  ILE  59          HD13      ILE  59   7.305 -31.111  -4.024
  449    H    VAL  60           H        VAL  60   4.667 -27.061  -0.531
  450    HA   VAL  60           HA       VAL  60   4.668 -24.066  -0.316
  451    HB   VAL  60           HB       VAL  60   3.861 -26.129   1.769
  452   HG11  VAL  60          HG11      VAL  60   3.368 -23.118   1.583
  453   HG12  VAL  60          HG12      VAL  60   2.793 -24.190   2.882
  454   HG13  VAL  60          HG13      VAL  60   4.522 -23.905   2.673
  455   HG21  VAL  60          HG21      VAL  60   2.256 -26.302  -0.094
  456   HG22  VAL  60          HG22      VAL  60   1.514 -25.540   1.312
  457   HG23  VAL  60          HG23      VAL  60   2.018 -24.539  -0.064
  458    H    LYS  61           H        LYS  61   6.494 -23.101   0.566
  459    HA   LYS  61           HA       LYS  61   8.460 -24.808   2.034
  460    HB2  LYS  61           HB2      LYS  61   8.970 -22.938  -0.316
  461    HB3  LYS  61           HB3      LYS  61  10.236 -23.370   0.837
  462    HG2  LYS  61           HG2      LYS  61   9.810 -25.790   0.388
  463    HG3  LYS  61           HG3      LYS  61   8.682 -25.300  -0.898
  464    HD2  LYS  61           HD2      LYS  61  10.521 -24.105  -2.053
  465    HD3  LYS  61           HD3      LYS  61  11.649 -24.604  -0.783
  466    HE2  LYS  61           HE2      LYS  61  11.404 -26.933  -1.344
  467    HE3  LYS  61           HE3      LYS  61  10.027 -26.608  -2.407
  468    HZ1  LYS  61           HZ1      LYS  61  11.421 -25.569  -3.964
  469    HZ2  LYS  61           HZ2      LYS  61  12.742 -25.570  -2.960
  470    HZ3  LYS  61           HZ3      LYS  61  12.159 -26.966  -3.591
  471    H    LYS  62           H        LYS  62  10.100 -23.416   3.134
  472    HA   LYS  62           HA       LYS  62   9.078 -20.768   4.004
  473    HB2  LYS  62           HB2      LYS  62   8.662 -22.423   5.810
  474    HB3  LYS  62           HB3      LYS  62  10.351 -22.926   5.749
  475    HG2  LYS  62           HG2      LYS  62  11.040 -20.616   6.440
  476    HG3  LYS  62           HG3      LYS  62   9.327 -20.163   6.555
  477    HD2  LYS  62           HD2      LYS  62   8.968 -21.853   8.304
  478    HD3  LYS  62           HD3      LYS  62  10.639 -22.429   8.123
  479    HE2  LYS  62           HE2      LYS  62  11.478 -20.181   8.799
  480    HE3  LYS  62           HE3      LYS  62   9.812 -19.636   9.034
  481    HZ1  LYS  62           HZ1      LYS  62  11.124 -21.827  10.547
  482    HZ2  LYS  62           HZ2      LYS  62  10.825 -20.334  11.118
  483    HZ3  LYS  62           HZ3      LYS  62   9.583 -21.330  10.772
  484    H    GLU  63           H        GLU  63  10.704 -19.201   3.903
  485    HA   GLU  63           HA       GLU  63  13.521 -19.952   3.502
  486    HB2  GLU  63           HB2      GLU  63  11.777 -18.591   1.390
  487    HB3  GLU  63           HB3      GLU  63  13.530 -18.502   1.376
  488    HG2  GLU  63           HG2      GLU  63  11.858 -21.019   1.047
  489    HG3  GLU  63           HG3      GLU  63  12.706 -20.145  -0.213
  490    H    LEU  64           H        LEU  64  14.878 -17.959   3.522
  491    HA   LEU  64           HA       LEU  64  13.824 -15.800   5.180
  492    HB2  LEU  64           HB2      LEU  64  16.380 -16.085   3.542
  493    HB3  LEU  64           HB3      LEU  64  15.962 -14.624   4.441
  494    HG   LEU  64           HG       LEU  64  16.230 -17.344   5.708
  495   HD11  LEU  64          HD11      LEU  64  18.390 -16.686   4.821
  496   HD12  LEU  64          HD12      LEU  64  18.274 -15.098   5.624
  497   HD13  LEU  64          HD13      LEU  64  18.408 -16.588   6.582
  498   HD21  LEU  64          HD21      LEU  64  16.424 -16.024   7.842
  499   HD22  LEU  64          HD22      LEU  64  16.077 -14.542   6.928
  500   HD23  LEU  64          HD23      LEU  64  14.854 -15.820   7.077
  501    H    LEU  65           H        LEU  65  12.994 -13.890   4.520
  502    HA   LEU  65           HA       LEU  65  11.749 -13.684   2.017
  503    HB2  LEU  65           HB2      LEU  65  11.433 -12.452   4.330
  504    HB3  LEU  65           HB3      LEU  65  12.498 -11.236   3.637
  505    HG   LEU  65           HG       LEU  65   9.877 -12.223   2.422
  506   HD11  LEU  65          HD11      LEU  65   8.979 -10.019   3.259
  507   HD12  LEU  65          HD12      LEU  65   9.561 -11.025   4.588
  508   HD13  LEU  65          HD13      LEU  65  10.550  -9.677   3.993
  509   HD21  LEU  65          HD21      LEU  65   9.948 -10.081   1.117
  510   HD22  LEU  65          HD22      LEU  65  11.674  -9.971   1.537
  511   HD23  LEU  65          HD23      LEU  65  11.026 -11.348   0.598
  512    H    TYR  66           H        TYR  66  15.024 -12.621   3.012
  513    HA   TYR  66           HA       TYR  66  15.473 -10.849   0.851
  514    HB2  TYR  66           HB2      TYR  66  17.550 -10.643   1.600
  515    HB3  TYR  66           HB3      TYR  66  16.919 -11.460   3.013
  516    HD1  TYR  66           HD1      TYR  66  18.848 -11.886  -0.139
  517    HD2  TYR  66           HD2      TYR  66  17.837 -13.609   3.674
  518    HE1  TYR  66           HE1      TYR  66  20.585 -13.625  -0.478
  519    HE2  TYR  66           HE2      TYR  66  19.553 -15.370   3.344
  520    HH   TYR  66           HH       TYR  66  21.618 -15.521   0.406
  521    H    ASP  67           H        ASP  67  15.698 -14.410   0.995
  522    HA   ASP  67           HA       ASP  67  16.866 -14.675  -1.652
  523    HB2  ASP  67           HB2      ASP  67  17.052 -16.482  -0.014
  524    HB3  ASP  67           HB3      ASP  67  15.294 -16.657   0.040
  525    H    VAL  68           H        VAL  68  13.512 -14.838  -0.340
  526    HA   VAL  68           HA       VAL  68  12.303 -15.541  -2.808
  527    HB   VAL  68           HB       VAL  68  10.974 -14.083  -0.462
  528   HG11  VAL  68          HG11      VAL  68   9.864 -16.038  -2.544
  529   HG12  VAL  68          HG12      VAL  68   8.949 -15.238  -1.250
  530   HG13  VAL  68          HG13      VAL  68   9.626 -14.287  -2.579
  531   HG21  VAL  68          HG21      VAL  68  11.531 -17.060  -0.900
  532   HG22  VAL  68          HG22      VAL  68  12.067 -16.059   0.463
  533   HG23  VAL  68          HG23      VAL  68  10.358 -16.434   0.268
  534    H    ALA  69           H        ALA  69  12.936 -12.353  -1.332
  535    HA   ALA  69           HA       ALA  69  11.646 -10.778  -3.359
  536    HB1  ALA  69           HB1      ALA  69  13.787 -10.080  -1.304
  537    HB2  ALA  69           HB2      ALA  69  12.819  -8.920  -2.238
  538    HB3  ALA  69           HB3      ALA  69  12.026  -9.985  -1.063
  539    H    GLY  70           H        GLY  70  14.484 -12.628  -3.604
  540    HA2  GLY  70           HA2      GLY  70  16.367 -10.905  -4.733
  541    HA3  GLY  70           HA3      GLY  70  16.250 -12.650  -5.013
  542    H    SER  71           H        SER  71  13.358 -11.937  -6.193
  543    HA   SER  71           HA       SER  71  14.106 -11.920  -8.931
  544    HB2  SER  71           HB2      SER  71  11.600 -11.482  -9.175
  545    HB3  SER  71           HB3      SER  71  12.109 -12.951  -8.347
  546    HG   SER  71           HG       SER  71  10.941 -10.618  -7.247
  547    H    ASP  72           H        ASP  72  12.991  -9.318  -6.730
  548    HA   ASP  72           HA       ASP  72  14.483  -7.372  -8.182
  549    HB2  ASP  72           HB2      ASP  72  12.518  -7.453  -9.694
  550    HB3  ASP  72           HB3      ASP  72  11.469  -7.143  -8.318
  551    H    LYS  73           H        LYS  73  11.585  -7.525  -6.093
  552    HA   LYS  73           HA       LYS  73  12.908  -6.531  -3.775
  553    HB2  LYS  73           HB2      LYS  73  11.984  -4.357  -3.497
  554    HB3  LYS  73           HB3      LYS  73  12.782  -4.373  -5.055
  555    HG2  LYS  73           HG2      LYS  73  10.572  -4.577  -6.189
  556    HG3  LYS  73           HG3      LYS  73   9.769  -4.624  -4.623
  557    HD2  LYS  73           HD2      LYS  73   9.538  -2.406  -5.484
  558    HD3  LYS  73           HD3      LYS  73  10.594  -2.379  -4.080
  559    HE2  LYS  73           HE2      LYS  73  11.526  -0.890  -5.695
  560    HE3  LYS  73           HE3      LYS  73  12.589  -2.295  -5.612
  561    HZ1  LYS  73           HZ1      LYS  73  12.156  -1.606  -7.888
  562    HZ2  LYS  73           HZ2      LYS  73  11.572  -3.114  -7.665
  563    HZ3  LYS  73           HZ3      LYS  73  10.550  -1.826  -7.716
  564    H    TYR  74           H        TYR  74  10.731  -5.598  -2.278
  565    HA   TYR  74           HA       TYR  74   8.401  -7.259  -2.828
  566    HB2  TYR  74           HB2      TYR  74   8.429  -8.469  -0.800
  567    HB3  TYR  74           HB3      TYR  74   9.964  -8.743  -1.559
  568    HD1  TYR  74           HD2      TYR  74  12.040  -7.478  -0.605
  569    HD2  TYR  74           HD1      TYR  74   8.204  -7.441   1.366
  570    HE1  TYR  74           HE2      TYR  74  13.148  -6.893   1.520
  571    HE2  TYR  74           HE1      TYR  74   9.304  -6.860   3.503
  572    HH   TYR  74           HH       TYR  74  12.868  -6.490   3.799
  573    H    GLN  75           H        GLN  75   6.676  -6.772  -1.146
  574    HA   GLN  75           HA       GLN  75   6.959  -4.232   0.304
  575    HB2  GLN  75           HB2      GLN  75   4.734  -4.634  -1.753
  576    HB3  GLN  75           HB3      GLN  75   4.958  -3.250  -0.695
  577    HG2  GLN  75           HG2      GLN  75   7.139  -2.780  -1.880
  578    HG3  GLN  75           HG3      GLN  75   6.757  -4.080  -3.014
  579   HE21  GLN  75          HE22      GLN  75   4.437  -3.827  -4.149
  580   HE22  GLN  75          HE21      GLN  75   4.114  -2.188  -4.649
  581    H    VAL  76           H        VAL  76   5.171  -4.085   1.945
  582    HA   VAL  76           HA       VAL  76   3.942  -6.719   2.539
  583    HB   VAL  76           HB       VAL  76   5.056  -5.519   4.380
  584   HG11  VAL  76          HG11      VAL  76   4.572  -3.172   3.742
  585   HG12  VAL  76          HG12      VAL  76   2.869  -3.414   4.171
  586   HG13  VAL  76          HG13      VAL  76   4.129  -3.533   5.413
  587   HG21  VAL  76          HG21      VAL  76   3.302  -7.092   4.898
  588   HG22  VAL  76          HG22      VAL  76   3.221  -5.742   6.029
  589   HG23  VAL  76          HG23      VAL  76   2.047  -5.850   4.705
  590    H    ASN  77           H        ASN  77   1.718  -7.009   2.216
  591    HA   ASN  77           HA       ASN  77   0.051  -4.744   1.375
  592    HB2  ASN  77           HB2      ASN  77   1.282  -5.292  -0.710
  593    HB3  ASN  77           HB3      ASN  77   0.667  -6.942  -0.634
  594   HD21  ASN  77          HD22      ASN  77   0.071  -5.752  -2.913
  595   HD22  ASN  77          HD21      ASN  77  -1.588  -5.168  -2.959
  596    H    ASN  78           H        ASN  78  -0.777  -5.617   3.458
  597    HA   ASN  78           HA       ASN  78  -2.241  -8.119   3.524
  598    HB2  ASN  78           HB2      ASN  78  -2.476  -5.535   5.113
  599    HB3  ASN  78           HB3      ASN  78  -3.539  -6.913   5.373
  600   HD21  ASN  78          HD22      ASN  78  -1.348  -5.588   7.093
  601   HD22  ASN  78          HD21      ASN  78  -0.443  -6.980   7.660
  602    H    LYS  79           H        LYS  79  -3.814  -8.531   2.069
  603    HA   LYS  79           HA       LYS  79  -5.136  -6.561   0.508
  604    HB2  LYS  79           HB2      LYS  79  -5.799  -9.480   1.078
  605    HB3  LYS  79           HB3      LYS  79  -6.638  -8.533  -0.132
  606    HG2  LYS  79           HG2      LYS  79  -3.649  -9.140  -0.163
  607    HG3  LYS  79           HG3      LYS  79  -4.869 -10.023  -1.060
  608    HD2  LYS  79           HD2      LYS  79  -4.114  -7.098  -1.448
  609    HD3  LYS  79           HD3      LYS  79  -3.642  -8.434  -2.483
  610    HE2  LYS  79           HE2      LYS  79  -6.518  -7.511  -2.035
  611    HE3  LYS  79           HE3      LYS  79  -5.503  -7.058  -3.405
  612    HZ1  LYS  79           HZ1      LYS  79  -6.926  -8.867  -4.008
  613    HZ2  LYS  79           HZ2      LYS  79  -5.389  -9.418  -4.034
  614    HZ3  LYS  79           HZ3      LYS  79  -6.394  -9.813  -2.796
  615    H    HIS  80           H        HIS  80  -5.800  -7.362   3.765
  616    HA   HIS  80           HA       HIS  80  -8.620  -6.411   3.566
  617    HB2  HIS  80           HB2      HIS  80  -7.515  -8.500   5.473
  618    HB3  HIS  80           HB3      HIS  80  -9.175  -7.978   5.309
  619    HD2  HIS  80           HD2      HIS  80  -6.604 -10.329   3.784
  620    HE1  HIS  80           HE1      HIS  80  -9.979 -10.662   1.217
  621    HE2  HIS  80           HE2      HIS  80  -7.640 -11.566   1.746
  622    H    ASP  81           H        ASP  81  -6.063  -4.887   4.263
  623    HA   ASP  81           HA       ASP  81  -6.344  -4.422   7.108
  624    HB2  ASP  81           HB2      ASP  81  -4.249  -4.099   5.708
  625    HB3  ASP  81           HB3      ASP  81  -5.058  -2.733   4.928
  626    H    ASP  82           H        ASP  82  -8.671  -4.137   5.346
  627    HA   ASP  82           HA       ASP  82  -9.737  -1.654   6.611
  628    HB2  ASP  82           HB2      ASP  82  -9.340  -1.193   4.197
  629    HB3  ASP  82           HB3      ASP  82 -10.375  -2.558   3.777
  630    H    LYS  83           H        LYS  83  -9.844  -4.964   6.433
  631    HA   LYS  83           HA       LYS  83 -12.767  -5.185   7.006
  632    HB2  LYS  83           HB2      LYS  83 -11.174  -7.162   5.347
  633    HB3  LYS  83           HB3      LYS  83 -12.895  -7.181   5.645
  634    HG2  LYS  83           HG2      LYS  83 -11.368  -5.144   3.955
  635    HG3  LYS  83           HG3      LYS  83 -12.289  -6.499   3.342
  636    HD2  LYS  83           HD2      LYS  83 -13.501  -4.182   4.915
  637    HD3  LYS  83           HD3      LYS  83 -13.495  -4.335   3.155
  638    HE2  LYS  83           HE2      LYS  83 -14.773  -6.468   3.342
  639    HE3  LYS  83           HE3      LYS  83 -14.814  -6.284   5.100
  640    HZ1  LYS  83           HZ1      LYS  83 -16.075  -4.231   4.789
  641    HZ2  LYS  83           HZ2      LYS  83 -16.041  -4.407   3.163
  642    HZ3  LYS  83           HZ3      LYS  83 -16.845  -5.482   4.084
  643    H    TYR  84           H        TYR  84  -9.483  -6.378   7.440
  644    HA   TYR  84           HA       TYR  84  -8.413  -7.405   8.964
  645    HB2  TYR  84           HB2      TYR  84 -10.733  -6.935  10.827
  646    HB3  TYR  84           HB3      TYR  84  -9.028  -7.125  11.247
  647    HD1  TYR  84           HD2      TYR  84  -7.441  -5.551   9.679
  648    HD2  TYR  84           HD1      TYR  84 -11.543  -4.712  10.699
  649    HE1  TYR  84           HE2      TYR  84  -7.093  -3.149   9.115
  650    HE2  TYR  84           HE1      TYR  84 -11.236  -2.341  10.082
  651    HH   TYR  84           HH       TYR  84  -9.726  -0.699   9.422
  652    H    SER  85           H        SER  85  -7.772  -9.205   9.702
  653    HA   SER  85           HA       SER  85  -8.958 -11.497   8.644
  654    HB2  SER  85           HB2      SER  85  -6.743 -11.171  10.698
  655    HB3  SER  85           HB3      SER  85  -7.129 -12.696   9.876
  656    HG   SER  85           HG       SER  85  -6.249 -12.029   8.154
  657    HA   PRO  86           HA       PRO  86 -11.490 -12.978  12.109
  658    HB2  PRO  86           HB2      PRO  86 -11.948 -15.535  11.229
  659    HB3  PRO  86           HB3      PRO  86 -12.804 -14.100  10.582
  660    HG2  PRO  86           HG2      PRO  86 -10.429 -15.559   9.408
  661    HG3  PRO  86           HG3      PRO  86 -11.895 -14.969   8.570
  662    HD2  PRO  86           HD2      PRO  86  -9.528 -13.591   8.589
  663    HD3  PRO  86           HD3      PRO  86 -11.109 -12.759   8.556
  664    H    LEU  87           H        LEU  87  -8.454 -14.132  11.020
  665    HA   LEU  87           HA       LEU  87  -8.056 -16.006  13.279
  666    HB2  LEU  87           HB2      LEU  87  -6.532 -15.484  10.700
  667    HB3  LEU  87           HB3      LEU  87  -6.054 -16.667  11.925
  668    HG   LEU  87           HG       LEU  87  -8.656 -16.719  10.332
  669   HD11  LEU  87          HD11      LEU  87  -7.617 -18.634   9.150
  670   HD12  LEU  87          HD12      LEU  87  -6.686 -17.145   8.925
  671   HD13  LEU  87          HD13      LEU  87  -6.111 -18.382  10.057
  672   HD21  LEU  87          HD21      LEU  87  -7.457 -18.763  12.264
  673   HD22  LEU  87          HD22      LEU  87  -8.968 -17.850  12.487
  674   HD23  LEU  87          HD23      LEU  87  -8.855 -19.055  11.206
  675    HA   PRO  88           HA       PRO  88  -5.428 -12.772  15.169
  676    HB2  PRO  88           HB2      PRO  88  -4.402 -15.235  16.580
  677    HB3  PRO  88           HB3      PRO  88  -4.803 -13.635  17.273
  678    HG2  PRO  88           HG2      PRO  88  -6.505 -15.731  17.557
  679    HG3  PRO  88           HG3      PRO  88  -7.141 -14.099  17.167
  680    HD2  PRO  88           HD2      PRO  88  -6.682 -16.430  15.294
  681    HD3  PRO  88           HD3      PRO  88  -8.056 -15.291  15.377
  682    H    CYS  89           H        CYS  89  -3.123 -12.297  15.093
  683    HA   CYS  89           HA       CYS  89  -1.709 -13.208  12.841
  684    HB2  CYS  89           HB2      CYS  89   0.272 -12.119  13.976
  685    HB3  CYS  89           HB3      CYS  89  -1.151 -11.094  13.748
  686    HG   CYS  89           HG       CYS  89  -0.028 -10.517  16.033
  687    H    SER  90           H        SER  90  -1.548 -14.399  16.226
  688    HA   SER  90           HA       SER  90   0.633 -16.161  15.926
  689    HB2  SER  90           HB2      SER  90  -0.622 -17.374  17.837
  690    HB3  SER  90           HB3      SER  90  -0.124 -15.694  18.103
  691    HG   SER  90           HG       SER  90  -2.284 -16.023  18.738
  692    H    LYS  91           H        LYS  91  -2.863 -16.795  15.558
  693    HA   LYS  91           HA       LYS  91  -2.565 -19.496  14.745
  694    HB2  LYS  91           HB2      LYS  91  -4.861 -17.640  14.049
  695    HB3  LYS  91           HB3      LYS  91  -4.867 -19.405  14.014
  696    HG2  LYS  91           HG2      LYS  91  -4.622 -17.654  16.496
  697    HG3  LYS  91           HG3      LYS  91  -6.031 -18.582  15.983
  698    HD2  LYS  91           HD2      LYS  91  -4.718 -20.696  16.256
  699    HD3  LYS  91           HD3      LYS  91  -3.351 -19.737  16.876
  700    HE2  LYS  91           HE2      LYS  91  -4.786 -18.855  18.694
  701    HE3  LYS  91           HE3      LYS  91  -6.153 -19.797  18.083
  702    HZ1  LYS  91           HZ1      LYS  91  -5.060 -20.919  19.912
  703    HZ2  LYS  91           HZ2      LYS  91  -4.894 -21.816  18.565
  704    HZ3  LYS  91           HZ3      LYS  91  -3.630 -20.945  19.135
  705    H    ILE  92           H        ILE  92  -2.639 -16.496  12.778
  706    HA   ILE  92           HA       ILE  92  -2.678 -17.751  10.227
  707    HB   ILE  92           HB       ILE  92  -1.429 -15.146  11.189
  708   HG12  ILE  92          HG12      ILE  92  -3.936 -15.574   9.516
  709   HG13  ILE  92          HG13      ILE  92  -3.992 -15.522  11.259
  710   HG21  ILE  92          HG21      ILE  92  -0.237 -15.828   9.143
  711   HG22  ILE  92          HG22      ILE  92  -1.783 -16.104   8.316
  712   HG23  ILE  92          HG23      ILE  92  -1.281 -14.470   8.807
  713   HD11  ILE  92          HD11      ILE  92  -2.877 -13.226   9.614
  714   HD12  ILE  92          HD12      ILE  92  -4.555 -13.354  10.172
  715   HD13  ILE  92          HD13      ILE  92  -3.238 -13.251  11.345
  716    H    ILE  93           H        ILE  93   0.146 -16.817  12.302
  717    HA   ILE  93           HA       ILE  93   2.132 -17.854  10.559
  718    HB   ILE  93           HB       ILE  93   2.106 -17.434  13.583
  719   HG12  ILE  93          HG12      ILE  93   3.313 -15.641  11.430
  720   HG13  ILE  93          HG13      ILE  93   1.682 -15.435  12.030
  721   HG21  ILE  93          HG21      ILE  93   3.946 -18.942  12.998
  722   HG22  ILE  93          HG22      ILE  93   4.468 -17.839  11.712
  723   HG23  ILE  93          HG23      ILE  93   4.592 -17.363  13.419
  724   HD11  ILE  93          HD11      ILE  93   2.616 -15.248  14.384
  725   HD12  ILE  93          HD12      ILE  93   4.233 -15.149  13.640
  726   HD13  ILE  93          HD13      ILE  93   3.001 -13.924  13.283
  727    H    GLN  94           H        GLN  94   0.377 -19.275  13.304
  728    HA   GLN  94           HA       GLN  94   1.715 -21.750  13.493
  729    HB2  GLN  94           HB2      GLN  94  -1.133 -20.888  14.093
  730    HB3  GLN  94           HB3      GLN  94  -0.655 -22.558  14.299
  731    HG2  GLN  94           HG2      GLN  94   0.658 -20.197  15.704
  732    HG3  GLN  94           HG3      GLN  94  -0.590 -21.234  16.389
  733   HE21  GLN  94          HE22      GLN  94   0.105 -23.799  15.941
  734   HE22  GLN  94          HE21      GLN  94   1.715 -24.154  16.509
  735    H    ARG  95           H        ARG  95  -1.178 -20.886  11.509
  736    HA   ARG  95           HA       ARG  95  -1.314 -23.521  10.314
  737    HB2  ARG  95           HB2      ARG  95  -2.387 -20.826   9.348
  738    HB3  ARG  95           HB3      ARG  95  -2.691 -22.359   8.533
  739    HG2  ARG  95           HG2      ARG  95  -3.595 -21.643  11.354
  740    HG3  ARG  95           HG3      ARG  95  -4.596 -21.728   9.901
  741    HD2  ARG  95           HD2      ARG  95  -3.976 -24.185   9.720
  742    HD3  ARG  95           HD3      ARG  95  -3.176 -24.030  11.299
  743    HE   ARG  95           HE       ARG  95  -5.849 -23.052  11.463
  744   HH11  ARG  95          HH21      ARG  95  -4.027 -26.118  11.253
  745   HH12  ARG  95          HH22      ARG  95  -5.286 -27.050  11.996
  746   HH21  ARG  95          HH12      ARG  95  -7.488 -24.308  12.474
  747   HH22  ARG  95          HH11      ARG  95  -7.276 -25.999  12.716
  748    H    ALA  96           H        ALA  96   0.227 -20.437   9.226
  749    HA   ALA  96           HA       ALA  96   1.081 -21.356   6.751
  750    HB1  ALA  96           HB1      ALA  96   1.299 -18.994   7.599
  751    HB2  ALA  96           HB2      ALA  96   2.652 -19.516   8.619
  752    HB3  ALA  96           HB3      ALA  96   2.790 -19.607   6.856
  753    H    GLU  97           H        GLU  97   2.882 -21.633   9.848
  754    HA   GLU  97           HA       GLU  97   5.008 -23.082   8.565
  755    HB2  GLU  97           HB2      GLU  97   6.022 -23.297  10.690
  756    HB3  GLU  97           HB3      GLU  97   5.335 -21.681  10.581
  757    HG2  GLU  97           HG2      GLU  97   3.455 -22.359  12.025
  758    HG3  GLU  97           HG3      GLU  97   4.036 -24.021  12.054
  759    H    GLU  98           H        GLU  98   1.900 -24.228   9.817
  760    HA   GLU  98           HA       GLU  98   2.766 -26.903  10.392
  761    HB2  GLU  98           HB2      GLU  98   0.910 -26.118  11.590
  762    HB3  GLU  98           HB3      GLU  98   0.208 -25.303  10.193
  763    HG2  GLU  98           HG2      GLU  98  -0.464 -27.340   9.194
  764    HG3  GLU  98           HG3      GLU  98   0.320 -28.296  10.471
  765    H    LEU  99           H        LEU  99   1.756 -25.015   7.612
  766    HA   LEU  99           HA       LEU  99   1.093 -27.413   6.048
  767    HB2  LEU  99           HB2      LEU  99   0.719 -24.436   5.579
  768    HB3  LEU  99           HB3      LEU  99   0.141 -25.679   4.475
  769    HG   LEU  99           HG       LEU  99  -0.699 -25.512   7.413
  770   HD11  LEU  99          HD11      LEU  99  -2.843 -24.592   6.553
  771   HD12  LEU  99          HD12      LEU  99  -1.461 -23.528   6.296
  772   HD13  LEU  99          HD13      LEU  99  -2.117 -24.461   4.929
  773   HD21  LEU  99          HD21      LEU  99  -2.548 -26.983   6.753
  774   HD22  LEU  99          HD22      LEU  99  -1.952 -27.045   5.086
  775   HD23  LEU  99          HD23      LEU  99  -1.013 -27.772   6.423
  776    H    VAL 100           H        VAL 100   3.938 -25.684   6.479
  777    HA   VAL 100           HA       VAL 100   5.046 -25.781   3.820
  778    HB   VAL 100           HB       VAL 100   6.239 -25.847   6.636
  779   HG11  VAL 100          HG11      VAL 100   7.720 -25.477   4.000
  780   HG12  VAL 100          HG12      VAL 100   8.399 -25.117   5.600
  781   HG13  VAL 100          HG13      VAL 100   7.965 -26.773   5.192
  782   HG21  VAL 100          HG21      VAL 100   6.732 -23.518   6.321
  783   HG22  VAL 100          HG22      VAL 100   6.191 -23.558   4.624
  784   HG23  VAL 100          HG23      VAL 100   5.031 -23.735   5.945
  785    H    GLY 101           H        GLY 101   6.378 -27.337   2.873
  786    HA2  GLY 101           HA2      GLY 101   7.503 -29.315   2.654
  787    HA3  GLY 101           HA3      GLY 101   7.039 -29.783   4.297
  788    H    GLN 102           H        GLN 102   4.523 -28.827   1.984
  789    HA   GLN 102           HA       GLN 102   3.966 -31.633   1.289
  790    HB2  GLN 102           HB2      GLN 102   1.712 -31.439   1.780
  791    HB3  GLN 102           HB3      GLN 102   2.459 -30.568   3.127
  792    HG2  GLN 102           HG2      GLN 102   2.017 -28.410   1.878
  793    HG3  GLN 102           HG3      GLN 102   1.122 -29.333   0.675
  794   HE21  GLN 102          HE22      GLN 102   0.918 -27.733   3.656
  795   HE22  GLN 102          HE21      GLN 102  -0.694 -28.282   4.127
  796    H    GLU 103           H        GLU 103   2.706 -31.736  -0.696
  797    HA   GLU 103           HA       GLU 103   3.394 -29.604  -2.611
  798    HB2  GLU 103           HB2      GLU 103   2.964 -31.410  -4.293
  799    HB3  GLU 103           HB3      GLU 103   4.319 -31.720  -3.201
  800    HG2  GLU 103           HG2      GLU 103   2.948 -33.197  -1.816
  801    HG3  GLU 103           HG3      GLU 103   1.554 -32.927  -2.871
  802    H    VAL 104           H        VAL 104   1.813 -28.996  -4.168
  803    HA   VAL 104           HA       VAL 104  -1.027 -29.452  -3.507
  804    HB   VAL 104           HB       VAL 104  -1.320 -27.072  -4.203
  805   HG11  VAL 104          HG11      VAL 104  -1.475 -27.750  -1.828
  806   HG12  VAL 104          HG12      VAL 104   0.264 -27.449  -1.624
  807   HG13  VAL 104          HG13      VAL 104  -0.837 -26.105  -1.988
  808   HG21  VAL 104          HG21      VAL 104   0.907 -26.647  -5.230
  809   HG22  VAL 104          HG22      VAL 104   0.442 -25.441  -4.036
  810   HG23  VAL 104          HG23      VAL 104   1.638 -26.677  -3.605
  811    H    LEU 105           H        LEU 105  -2.345 -29.398  -5.431
  812    HA   LEU 105           HA       LEU 105  -0.749 -30.389  -7.718
  813    HB2  LEU 105           HB2      LEU 105  -3.701 -30.571  -7.044
  814    HB3  LEU 105           HB3      LEU 105  -2.931 -31.381  -8.411
  815    HG   LEU 105           HG       LEU 105  -2.402 -31.973  -5.469
  816   HD11  LEU 105          HD11      LEU 105  -4.559 -32.813  -6.321
  817   HD12  LEU 105          HD12      LEU 105  -3.721 -33.639  -7.654
  818   HD13  LEU 105          HD13      LEU 105  -3.439 -34.139  -5.970
  819   HD21  LEU 105          HD21      LEU 105  -1.162 -33.219  -7.964
  820   HD22  LEU 105          HD22      LEU 105  -0.314 -32.314  -6.685
  821   HD23  LEU 105          HD23      LEU 105  -1.030 -33.881  -6.319
  822    H    TYR 106           H        TYR 106  -1.297 -27.496  -7.115
  823    HA   TYR 106           HA       TYR 106  -2.090 -26.735  -9.877
  824    HB2  TYR 106           HB2      TYR 106  -2.929 -24.604  -9.022
  825    HB3  TYR 106           HB3      TYR 106  -3.851 -25.959  -8.409
  826    HD1  TYR 106           HD1      TYR 106  -1.098 -23.566  -7.484
  827    HD2  TYR 106           HD2      TYR 106  -4.175 -26.242  -6.068
  828    HE1  TYR 106           HE1      TYR 106  -0.730 -22.766  -5.160
  829    HE2  TYR 106           HE2      TYR 106  -3.827 -25.437  -3.756
  830    HH   TYR 106           HH       TYR 106  -2.628 -24.010  -2.375
  831    H    LYS 107           H        LYS 107  -0.879 -25.009 -10.763
  832    HA   LYS 107           HA       LYS 107   1.861 -25.195 -10.053
  833    HB2  LYS 107           HB2      LYS 107   0.361 -25.005 -12.359
  834    HB3  LYS 107           HB3      LYS 107   0.856 -23.317 -12.191
  835    HG2  LYS 107           HG2      LYS 107   3.247 -24.166 -11.948
  836    HG3  LYS 107           HG3      LYS 107   2.590 -25.797 -12.169
  837    HD2  LYS 107           HD2      LYS 107   3.273 -25.422 -14.308
  838    HD3  LYS 107           HD3      LYS 107   1.658 -24.758 -14.463
  839    HE2  LYS 107           HE2      LYS 107   4.237 -23.176 -13.950
  840    HE3  LYS 107           HE3      LYS 107   3.472 -23.399 -15.519
  841    HZ1  LYS 107           HZ1      LYS 107   2.415 -21.793 -13.265
  842    HZ2  LYS 107           HZ2      LYS 107   2.848 -21.304 -14.744
  843    HZ3  LYS 107           HZ3      LYS 107   1.505 -22.208 -14.589
  844    H    LEU 108           H        LEU 108   3.303 -23.240 -10.297
  845    HA   LEU 108           HA       LEU 108   2.617 -21.015  -8.572
  846    HB2  LEU 108           HB2      LEU 108   4.855 -21.580 -10.573
  847    HB3  LEU 108           HB3      LEU 108   4.632 -19.975  -9.922
  848    HG   LEU 108           HG       LEU 108   6.394 -21.193  -8.771
  849   HD11  LEU 108          HD11      LEU 108   5.125 -19.417  -7.581
  850   HD12  LEU 108          HD12      LEU 108   4.046 -20.653  -6.903
  851   HD13  LEU 108          HD13      LEU 108   5.771 -20.652  -6.497
  852   HD21  LEU 108          HD21      LEU 108   4.202 -23.036  -7.756
  853   HD22  LEU 108          HD22      LEU 108   5.476 -23.479  -8.923
  854   HD23  LEU 108          HD23      LEU 108   5.894 -23.045  -7.263
  855    H    THR 109           H        THR 109   1.233 -19.488  -9.128
  856    HA   THR 109           HA       THR 109   1.545 -18.057 -11.625
  857    HB   THR 109           HB       THR 109  -0.868 -17.785 -11.986
  858    HG1  THR 109           HG1      THR 109  -2.316 -19.215 -10.970
  859   HG21  THR 109          HG21      THR 109  -1.430 -19.884 -13.037
  860   HG22  THR 109          HG22      THR 109   0.301 -19.594 -13.267
  861   HG23  THR 109          HG23      THR 109  -0.255 -20.767 -12.044
  862    H    SER 110           H        SER 110   0.964 -15.775 -11.176
  863    HA   SER 110           HA       SER 110   1.344 -14.852  -8.568
  864    HB2  SER 110           HB2      SER 110  -0.251 -13.599 -10.850
  865    HB3  SER 110           HB3      SER 110   0.386 -12.746  -9.439
  866    HG   SER 110           HG       SER 110   2.455 -13.236 -10.077
  867    H    GLU 111           H        GLU 111  -1.709 -15.732 -10.241
  868    HA   GLU 111           HA       GLU 111  -3.466 -14.792  -8.208
  869    HB2  GLU 111           HB2      GLU 111  -4.080 -15.230 -10.572
  870    HB3  GLU 111           HB3      GLU 111  -3.860 -16.967 -10.314
  871    HG2  GLU 111           HG2      GLU 111  -5.679 -16.966  -8.645
  872    HG3  GLU 111           HG3      GLU 111  -5.837 -15.214  -8.790
  873    H    ASN 112           H        ASN 112  -1.975 -18.071  -8.783
  874    HA   ASN 112           HA       ASN 112  -3.510 -19.297  -6.668
  875    HB2  ASN 112           HB2      ASN 112  -0.962 -20.115  -8.116
  876    HB3  ASN 112           HB3      ASN 112  -1.624 -21.050  -6.785
  877   HD21  ASN 112          HD22      ASN 112  -1.313 -21.962  -9.518
  878   HD22  ASN 112          HD21      ASN 112  -2.923 -22.348 -10.113
  879    H    CYS 113           H        CYS 113  -0.249 -17.745  -6.742
  880    HA   CYS 113           HA       CYS 113   0.332 -18.444  -4.020
  881    HB2  CYS 113           HB2      CYS 113   1.346 -16.058  -5.628
  882    HB3  CYS 113           HB3      CYS 113   2.054 -16.716  -4.144
  883    HG   CYS 113           HG       CYS 113   3.529 -17.446  -6.165
  884    H    GLU 114           H        GLU 114  -1.223 -15.537  -5.517
  885    HA   GLU 114           HA       GLU 114  -1.511 -14.061  -3.131
  886    HB2  GLU 114           HB2      GLU 114  -1.839 -13.320  -5.551
  887    HB3  GLU 114           HB3      GLU 114  -3.440 -14.034  -5.503
  888    HG2  GLU 114           HG2      GLU 114  -4.168 -12.524  -3.786
  889    HG3  GLU 114           HG3      GLU 114  -2.532 -11.997  -3.432
  890    H    HIS 115           H        HIS 115  -3.692 -16.418  -4.709
  891    HA   HIS 115           HA       HIS 115  -5.820 -16.364  -2.861
  892    HB2  HIS 115           HB2      HIS 115  -5.964 -17.428  -5.054
  893    HB3  HIS 115           HB3      HIS 115  -4.724 -18.599  -4.620
  894    HD2  HIS 115           HD2      HIS 115  -5.395 -20.475  -2.710
  895    HE1  HIS 115           HE1      HIS 115  -9.608 -19.960  -3.059
  896    HE2  HIS 115           HE2      HIS 115  -7.764 -21.369  -2.004
  897    H    PHE 116           H        PHE 116  -2.937 -18.562  -2.971
  898    HA   PHE 116           HA       PHE 116  -3.667 -20.030  -0.711
  899    HB2  PHE 116           HB2      PHE 116  -1.966 -20.895  -2.185
  900    HB3  PHE 116           HB3      PHE 116  -1.001 -19.433  -2.061
  901    HD1  PHE 116           HD1      PHE 116   0.488 -19.005  -0.187
  902    HD2  PHE 116           HD2      PHE 116  -1.889 -22.599  -0.331
  903    HE1  PHE 116           HE1      PHE 116   1.728 -19.892   1.764
  904    HE2  PHE 116           HE2      PHE 116  -0.561 -23.541   1.546
  905    HZ   PHE 116           HZ       PHE 116   1.250 -22.198   2.589
  906    H    VAL 117           H        VAL 117  -1.511 -17.135  -0.814
  907    HA   VAL 117           HA       VAL 117  -1.005 -17.341   2.009
  908    HB   VAL 117           HB       VAL 117  -0.085 -15.136   1.933
  909   HG11  VAL 117          HG11      VAL 117   0.765 -16.683  -0.536
  910   HG12  VAL 117          HG12      VAL 117   1.705 -15.481   0.353
  911   HG13  VAL 117          HG13      VAL 117   1.282 -17.008   1.138
  912   HG21  VAL 117          HG21      VAL 117  -0.025 -13.720  -0.040
  913   HG22  VAL 117          HG22      VAL 117  -0.995 -14.877  -0.965
  914   HG23  VAL 117          HG23      VAL 117  -1.706 -13.998   0.396
  915    H    ASN 118           H        ASN 118  -3.678 -15.896   0.181
  916    HA   ASN 118           HA       ASN 118  -4.726 -14.475   2.492
  917    HB2  ASN 118           HB2      ASN 118  -5.782 -15.077  -0.280
  918    HB3  ASN 118           HB3      ASN 118  -6.858 -14.518   1.006
  919   HD21  ASN 118          HD22      ASN 118  -3.921 -13.580  -0.825
  920   HD22  ASN 118          HD21      ASN 118  -3.992 -11.889  -0.338
  921    H    GLU 119           H        GLU 119  -5.051 -17.805   1.279
  922    HA   GLU 119           HA       GLU 119  -7.253 -18.481   3.018
  923    HB2  GLU 119           HB2      GLU 119  -4.965 -20.286   2.131
  924    HB3  GLU 119           HB3      GLU 119  -6.463 -20.796   2.901
  925    HG2  GLU 119           HG2      GLU 119  -7.741 -19.851   0.950
  926    HG3  GLU 119           HG3      GLU 119  -6.206 -19.554   0.143
  927    H    LEU 120           H        LEU 120  -3.699 -18.277   3.534
  928    HA   LEU 120           HA       LEU 120  -3.870 -19.282   6.223
  929    HB2  LEU 120           HB2      LEU 120  -1.728 -17.555   4.956
  930    HB3  LEU 120           HB3      LEU 120  -1.565 -18.459   6.468
  931    HG   LEU 120           HG       LEU 120  -2.004 -19.666   3.703
  932   HD11  LEU 120          HD11      LEU 120   0.467 -19.389   5.450
  933   HD12  LEU 120          HD12      LEU 120   0.379 -20.434   4.030
  934   HD13  LEU 120          HD13      LEU 120   0.192 -18.684   3.840
  935   HD21  LEU 120          HD21      LEU 120  -1.415 -21.807   4.787
  936   HD22  LEU 120          HD22      LEU 120  -1.420 -21.004   6.380
  937   HD23  LEU 120          HD23      LEU 120  -2.917 -21.148   5.430
  938    H    ARG 121           H        ARG 121  -3.609 -15.947   4.868
  939    HA   ARG 121           HA       ARG 121  -3.644 -14.746   7.471
  940    HB2  ARG 121           HB2      ARG 121  -2.886 -13.988   4.932
  941    HB3  ARG 121           HB3      ARG 121  -4.340 -13.025   5.131
  942    HG2  ARG 121           HG2      ARG 121  -2.024 -13.125   7.117
  943    HG3  ARG 121           HG3      ARG 121  -2.098 -11.981   5.794
  944    HD2  ARG 121           HD2      ARG 121  -4.206 -11.040   6.694
  945    HD3  ARG 121           HD3      ARG 121  -4.067 -12.142   8.078
  946    HE   ARG 121           HE       ARG 121  -1.636 -10.861   8.011
  947   HH11  ARG 121          HH21      ARG 121  -5.012  -9.983   8.663
  948   HH12  ARG 121          HH22      ARG 121  -4.618  -8.502   9.466
  949   HH21  ARG 121          HH11      ARG 121  -1.108  -8.757   9.031
  950   HH22  ARG 121          HH12      ARG 121  -2.388  -7.907   9.789
  951    H    TYR 122           H        TYR 122  -6.258 -15.822   5.419
  952    HA   TYR 122           HA       TYR 122  -8.158 -14.340   7.169
  953    HB2  TYR 122           HB2      TYR 122  -7.446 -13.349   4.789
  954    HB3  TYR 122           HB3      TYR 122  -8.599 -14.518   4.187
  955    HD1  TYR 122           HD1      TYR 122  -8.122 -11.529   6.358
  956    HD2  TYR 122           HD2      TYR 122 -10.988 -14.074   4.378
  957    HE1  TYR 122           HE1      TYR 122  -9.902  -9.849   6.783
  958    HE2  TYR 122           HE2      TYR 122 -12.768 -12.404   4.791
  959    HH   TYR 122           HH       TYR 122 -13.294 -10.324   5.701
  960    H    GLY 123           H        GLY 123  -7.339 -17.405   6.352
  961    HA2  GLY 123           HA2      GLY 123  -8.510 -19.296   7.025
  962    HA3  GLY 123           HA3      GLY 123 -10.044 -18.410   6.966
  963    H    VAL 124           H        VAL 124 -10.129 -17.343   4.440
  964    HA   VAL 124           HA       VAL 124  -9.344 -19.270   2.388
  965    HB   VAL 124           HB       VAL 124 -11.739 -18.856   1.493
  966   HG11  VAL 124          HG11      VAL 124 -11.422 -20.855   3.762
  967   HG12  VAL 124          HG12      VAL 124 -12.565 -20.948   2.410
  968   HG13  VAL 124          HG13      VAL 124 -10.827 -21.085   2.102
  969   HG21  VAL 124          HG21      VAL 124 -12.557 -17.324   3.267
  970   HG22  VAL 124          HG22      VAL 124 -13.572 -18.756   3.065
  971   HG23  VAL 124          HG23      VAL 124 -12.462 -18.656   4.441
  972    H    ALA 125           H        ALA 125  -8.847 -18.110   0.464
  973    HA   ALA 125           HA       ALA 125  -8.771 -15.256   0.474
  974    HB1  ALA 125           HB1      ALA 125  -8.935 -17.137  -1.911
  975    HB2  ALA 125           HB2      ALA 125  -8.354 -15.464  -1.923
  976    HB3  ALA 125           HB3      ALA 125  -7.430 -16.716  -1.063
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1   7.669   0.440  -5.266
    2    H2   MET   1           H2       MET   1   6.986   1.918  -5.407
    3    H3   MET   1           H3       MET   1   8.450   1.754  -4.693
    4    HA   MET   1           HA       MET   1   7.557   0.522  -2.877
    5    HB2  MET   1           HB2      MET   1   6.150   3.178  -3.353
    6    HB3  MET   1           HB3      MET   1   5.967   2.226  -1.881
    7    HG2  MET   1           HG2      MET   1   8.426   2.308  -1.514
    8    HG3  MET   1           HG3      MET   1   8.590   3.316  -2.953
    9    HE1  MET   1           HE1      MET   1   7.519   3.081   0.782
   10    HE2  MET   1           HE2      MET   1   6.736   4.645   1.089
   11    HE3  MET   1           HE3      MET   1   5.915   3.430   0.091
   12    H    ARG   2           H        ARG   2   4.626   1.799  -4.604
   13    HA   ARG   2           HA       ARG   2   2.588   1.055  -4.875
   14    HB2  ARG   2           HB2      ARG   2   3.558  -0.879  -6.017
   15    HB3  ARG   2           HB3      ARG   2   3.670  -1.750  -4.495
   16    HG2  ARG   2           HG2      ARG   2   1.834  -2.582  -5.755
   17    HG3  ARG   2           HG3      ARG   2   1.215  -1.827  -4.300
   18    HD2  ARG   2           HD2      ARG   2   1.293  -0.408  -6.999
   19    HD3  ARG   2           HD3      ARG   2  -0.053  -1.445  -6.498
   20    HE   ARG   2           HE       ARG   2   0.320   0.356  -4.402
   21   HH11  ARG   2          HH21      ARG   2  -0.629   0.553  -7.822
   22   HH12  ARG   2          HH22      ARG   2  -1.562   1.989  -7.622
   23   HH21  ARG   2          HH11      ARG   2  -0.899   2.252  -4.136
   24   HH22  ARG   2          HH12      ARG   2  -1.725   2.976  -5.464
   25    H    ALA   3           H        ALA   3   4.125  -0.377  -1.961
   26    HA   ALA   3           HA       ALA   3   2.083   0.939  -0.356
   27    HB1  ALA   3           HB1      ALA   3   1.063  -1.299  -0.637
   28    HB2  ALA   3           HB2      ALA   3   2.591  -2.074  -0.158
   29    HB3  ALA   3           HB3      ALA   3   1.673  -1.115   1.018
   30    HA   PRO   4           HA       PRO   4   5.969   1.332   1.899
   31    HB2  PRO   4           HB2      PRO   4   5.155   2.323   4.303
   32    HB3  PRO   4           HB3      PRO   4   5.006   3.259   2.790
   33    HG2  PRO   4           HG2      PRO   4   2.861   1.616   4.168
   34    HG3  PRO   4           HG3      PRO   4   2.752   3.296   3.565
   35    HD2  PRO   4           HD2      PRO   4   1.893   1.129   2.099
   36    HD3  PRO   4           HD3      PRO   4   2.589   2.586   1.328
   37    H    ILE   5           H        ILE   5   6.894   0.651   4.130
   38    HA   ILE   5           HA       ILE   5   5.669  -1.805   5.252
   39    HB   ILE   5           HB       ILE   5   7.944  -2.786   5.477
   40   HG12  ILE   5          HG12      ILE   5   8.811  -0.777   3.332
   41   HG13  ILE   5          HG13      ILE   5   9.312  -0.690   5.015
   42   HG21  ILE   5          HG21      ILE   5   7.127  -2.378   2.568
   43   HG22  ILE   5          HG22      ILE   5   7.876  -3.813   3.303
   44   HG23  ILE   5          HG23      ILE   5   6.216  -3.375   3.710
   45   HD11  ILE   5          HD11      ILE   5   9.982  -2.922   3.061
   46   HD12  ILE   5          HD12      ILE   5  11.074  -1.718   3.756
   47   HD13  ILE   5          HD13      ILE   5  10.357  -2.957   4.802
   48    HA   PRO   6           HA       PRO   6   6.707   1.828   7.911
   49    HB2  PRO   6           HB2      PRO   6   4.327   2.314   9.142
   50    HB3  PRO   6           HB3      PRO   6   4.651   2.778   7.440
   51    HG2  PRO   6           HG2      PRO   6   3.193   0.311   8.425
   52    HG3  PRO   6           HG3      PRO   6   2.694   1.472   7.155
   53    HD2  PRO   6           HD2      PRO   6   3.979  -0.882   6.569
   54    HD3  PRO   6           HD3      PRO   6   4.222   0.611   5.623
   55    H    GLU   7           H        GLU   7   4.751  -0.895   9.099
   56    HA   GLU   7           HA       GLU   7   6.565  -1.483  11.286
   57    HB2  GLU   7           HB2      GLU   7   4.853  -1.117  13.079
   58    HB3  GLU   7           HB3      GLU   7   5.505   0.342  12.370
   59    HG2  GLU   7           HG2      GLU   7   3.478   0.697  11.037
   60    HG3  GLU   7           HG3      GLU   7   2.791  -0.820  11.603
   61    HA   PRO   8           HA       PRO   8   3.680  -4.801   9.518
   62    HB2  PRO   8           HB2      PRO   8   5.456  -6.441   8.252
   63    HB3  PRO   8           HB3      PRO   8   4.762  -4.972   7.499
   64    HG2  PRO   8           HG2      PRO   8   7.444  -5.239   8.902
   65    HG3  PRO   8           HG3      PRO   8   7.118  -4.545   7.280
   66    HD2  PRO   8           HD2      PRO   8   7.329  -2.967   9.491
   67    HD3  PRO   8           HD3      PRO   8   6.147  -2.613   8.195
   68    H    LYS   9           H        LYS   9   3.539  -7.051  10.192
   69    HA   LYS   9           HA       LYS   9   5.396  -7.879  12.370
   70    HB2  LYS   9           HB2      LYS   9   2.343  -7.855  12.457
   71    HB3  LYS   9           HB3      LYS   9   3.352  -8.652  13.647
   72    HG2  LYS   9           HG2      LYS   9   3.293  -5.650  13.097
   73    HG3  LYS   9           HG3      LYS   9   2.464  -6.465  14.410
   74    HD2  LYS   9           HD2      LYS   9   5.495  -6.360  14.073
   75    HD3  LYS   9           HD3      LYS   9   4.531  -5.332  15.134
   76    HE2  LYS   9           HE2      LYS   9   3.724  -7.348  16.359
   77    HE3  LYS   9           HE3      LYS   9   4.740  -8.371  15.336
   78    HZ1  LYS   9           HZ1      LYS   9   5.823  -7.865  17.430
   79    HZ2  LYS   9           HZ2      LYS   9   6.683  -7.196  16.218
   80    HZ3  LYS   9           HZ3      LYS   9   5.734  -6.261  17.167
   81    HA   PRO  10           HA       PRO  10   5.136 -11.921  10.408
   82    HB2  PRO  10           HB2      PRO  10   4.736 -12.763  13.293
   83    HB3  PRO  10           HB3      PRO  10   5.705 -13.580  12.017
   84    HG2  PRO  10           HG2      PRO  10   6.931 -12.011  13.825
   85    HG3  PRO  10           HG3      PRO  10   7.332 -11.790  12.086
   86    HD2  PRO  10           HD2      PRO  10   5.438 -10.161  13.799
   87    HD3  PRO  10           HD3      PRO  10   6.680  -9.602  12.633
   88    H    GLY  11           H        GLY  11   3.485 -13.308   9.704
   89    HA2  GLY  11           HA2      GLY  11   1.315 -14.137   9.521
   90    HA3  GLY  11           HA3      GLY  11   0.736 -12.992  10.740
   91    H    ASP  12           H        ASP  12   2.561 -10.945   8.941
   92    HA   ASP  12           HA       ASP  12   0.288  -9.976   7.414
   93    HB2  ASP  12           HB2      ASP  12   3.153  -9.024   7.669
   94    HB3  ASP  12           HB3      ASP  12   1.991  -8.303   6.567
   95    H    LEU  13           H        LEU  13   0.105  -9.676   5.240
   96    HA   LEU  13           HA       LEU  13   1.148 -11.832   3.545
   97    HB2  LEU  13           HB2      LEU  13  -0.521  -9.352   2.891
   98    HB3  LEU  13           HB3      LEU  13  -0.044 -10.600   1.758
   99    HG   LEU  13           HG       LEU  13  -2.155 -10.785   3.923
  100   HD11  LEU  13          HD11      LEU  13  -2.671  -9.947   1.631
  101   HD12  LEU  13          HD12      LEU  13  -2.167 -11.528   0.999
  102   HD13  LEU  13          HD13      LEU  13  -3.550 -11.408   2.114
  103   HD21  LEU  13          HD21      LEU  13  -0.700 -13.054   2.518
  104   HD22  LEU  13          HD22      LEU  13  -0.932 -12.840   4.264
  105   HD23  LEU  13          HD23      LEU  13  -2.317 -13.232   3.230
  106    H    ILE  14           H        ILE  14   2.702 -11.618   1.990
  107    HA   ILE  14           HA       ILE  14   4.001  -8.970   1.577
  108    HB   ILE  14           HB       ILE  14   5.281 -11.741   1.603
  109   HG12  ILE  14          HG12      ILE  14   4.771 -11.155   3.914
  110   HG13  ILE  14          HG13      ILE  14   6.496 -11.194   3.607
  111   HG21  ILE  14          HG21      ILE  14   6.471  -8.983   1.183
  112   HG22  ILE  14          HG22      ILE  14   7.444 -10.442   1.494
  113   HG23  ILE  14          HG23      ILE  14   6.443 -10.336   0.045
  114   HD11  ILE  14          HD11      ILE  14   4.827  -8.654   3.758
  115   HD12  ILE  14          HD12      ILE  14   5.852  -9.294   5.053
  116   HD13  ILE  14          HD13      ILE  14   6.592  -8.730   3.548
  117    H    GLU  15           H        GLU  15   4.264  -8.478  -0.582
  118    HA   GLU  15           HA       GLU  15   3.869 -10.670  -2.542
  119    HB2  GLU  15           HB2      GLU  15   2.938  -9.299  -4.131
  120    HB3  GLU  15           HB3      GLU  15   1.973  -9.037  -2.684
  121    HG2  GLU  15           HG2      GLU  15   3.194  -6.879  -2.284
  122    HG3  GLU  15           HG3      GLU  15   4.175  -7.170  -3.705
  123    H    ILE  16           H        ILE  16   5.293 -10.591  -4.238
  124    HA   ILE  16           HA       ILE  16   7.908  -9.290  -3.668
  125    HB   ILE  16           HB       ILE  16   7.215 -12.023  -4.802
  126   HG12  ILE  16          HG12      ILE  16   6.659 -11.974  -2.385
  127   HG13  ILE  16          HG13      ILE  16   7.867 -13.138  -2.853
  128   HG21  ILE  16          HG21      ILE  16   9.667 -12.483  -4.516
  129   HG22  ILE  16          HG22      ILE  16   9.297 -11.233  -5.712
  130   HG23  ILE  16          HG23      ILE  16   9.877 -10.753  -4.125
  131   HD11  ILE  16          HD11      ILE  16   8.430 -12.028  -0.729
  132   HD12  ILE  16          HD12      ILE  16   9.664 -11.703  -1.957
  133   HD13  ILE  16          HD13      ILE  16   8.462 -10.458  -1.554
  134    H    PHE  17           H        PHE  17   8.155  -7.798  -5.288
  135    HA   PHE  17           HA       PHE  17   6.751  -8.137  -7.894
  136    HB2  PHE  17           HB2      PHE  17   8.237  -5.900  -6.522
  137    HB3  PHE  17           HB3      PHE  17   8.218  -5.961  -8.278
  138    HD1  PHE  17           HD1      PHE  17   5.114  -7.248  -6.755
  139    HD2  PHE  17           HD2      PHE  17   7.191  -3.679  -8.035
  140    HE1  PHE  17           HE1      PHE  17   2.958  -6.095  -7.055
  141    HE2  PHE  17           HE2      PHE  17   5.017  -2.505  -8.240
  142    HZ   PHE  17           HZ       PHE  17   2.893  -3.720  -7.789
  143    H    ARG  18           H        ARG  18   7.735  -8.944  -9.668
  144    HA   ARG  18           HA       ARG  18  10.595  -9.721  -9.405
  145    HB2  ARG  18           HB2      ARG  18   8.107 -11.347 -10.139
  146    HB3  ARG  18           HB3      ARG  18   9.713 -11.868 -10.591
  147    HG2  ARG  18           HG2      ARG  18  10.189 -11.369  -7.974
  148    HG3  ARG  18           HG3      ARG  18   8.458 -11.714  -7.871
  149    HD2  ARG  18           HD2      ARG  18   8.746 -13.894  -8.764
  150    HD3  ARG  18           HD3      ARG  18  10.396 -13.524  -9.348
  151    HE   ARG  18           HE       ARG  18  11.028 -13.273  -6.923
  152   HH11  ARG  18          HH11      ARG  18   8.841 -15.790  -8.124
  153   HH12  ARG  18          HH12      ARG  18   9.088 -16.823  -6.761
  154   HH21  ARG  18          HH21      ARG  18  11.293 -14.539  -5.110
  155   HH22  ARG  18          HH22      ARG  18  10.627 -16.143  -5.060
  156    HA   PRO  19           HA       PRO  19  11.664  -8.230 -13.185
  157    HB2  PRO  19           HB2      PRO  19  12.096 -10.986 -14.355
  158    HB3  PRO  19           HB3      PRO  19  13.163  -9.550 -14.443
  159    HG2  PRO  19           HG2      PRO  19  13.661 -11.488 -12.624
  160    HG3  PRO  19           HG3      PRO  19  13.765  -9.763 -12.140
  161    HD2  PRO  19           HD2      PRO  19  11.545 -11.737 -11.610
  162    HD3  PRO  19           HD3      PRO  19  12.224 -10.478 -10.552
  163    H    PHE  20           H        PHE  20   9.153 -10.691 -13.622
  164    HA   PHE  20           HA       PHE  20   8.065  -9.135 -15.914
  165    HB2  PHE  20           HB2      PHE  20   7.736 -11.164 -17.197
  166    HB3  PHE  20           HB3      PHE  20   9.430 -10.975 -16.809
  167    HD1  PHE  20           HD1      PHE  20  10.559 -12.521 -15.216
  168    HD2  PHE  20           HD2      PHE  20   6.402 -13.019 -16.261
  169    HE1  PHE  20           HE1      PHE  20  10.582 -14.797 -14.233
  170    HE2  PHE  20           HE2      PHE  20   6.433 -15.295 -15.279
  171    HZ   PHE  20           HZ       PHE  20   8.518 -16.188 -14.258
  172    H    TYR  21           H        TYR  21   7.317 -10.110 -12.847
  173    HA   TYR  21           HA       TYR  21   4.496 -10.193 -13.211
  174    HB2  TYR  21           HB2      TYR  21   3.937 -12.394 -12.762
  175    HB3  TYR  21           HB3      TYR  21   5.144 -12.536 -14.002
  176    HD1  TYR  21           HD1      TYR  21   7.744 -12.547 -12.574
  177    HD2  TYR  21           HD2      TYR  21   3.962 -14.307 -11.473
  178    HE1  TYR  21           HE1      TYR  21   8.921 -14.261 -11.249
  179    HE2  TYR  21           HE2      TYR  21   5.125 -15.966 -10.080
  180    HH   TYR  21           HH       TYR  21   7.178 -16.818  -9.421
  181    H    ARG  22           H        ARG  22   3.840 -11.537 -10.777
  182    HA   ARG  22           HA       ARG  22   5.651 -10.487  -8.748
  183    HB2  ARG  22           HB2      ARG  22   3.898  -9.483  -7.376
  184    HB3  ARG  22           HB3      ARG  22   4.091  -8.664  -8.913
  185    HG2  ARG  22           HG2      ARG  22   1.833  -8.644  -8.778
  186    HG3  ARG  22           HG3      ARG  22   2.013 -10.163  -9.656
  187    HD2  ARG  22           HD2      ARG  22   1.780 -11.408  -7.514
  188    HD3  ARG  22           HD3      ARG  22   1.694  -9.886  -6.627
  189    HE   ARG  22           HE       ARG  22  -0.422 -11.096  -8.333
  190   HH11  ARG  22          HH21      ARG  22   0.468  -8.201  -6.299
  191   HH12  ARG  22          HH22      ARG  22  -1.146  -7.625  -6.370
  192   HH21  ARG  22          HH11      ARG  22  -2.464 -10.426  -8.127
  193   HH22  ARG  22          HH12      ARG  22  -2.879  -8.951  -7.304
  194    H    HIS  23           H        HIS  23   5.464 -11.587  -6.778
  195    HA   HIS  23           HA       HIS  23   4.013 -14.192  -6.850
  196    HB2  HIS  23           HB2      HIS  23   6.338 -14.571  -7.487
  197    HB3  HIS  23           HB3      HIS  23   6.930 -13.643  -6.121
  198    HD2  HIS  23           HD2      HIS  23   7.948 -15.263  -4.376
  199    HE1  HIS  23           HE1      HIS  23   5.090 -18.410  -4.559
  200    HE2  HIS  23           HE2      HIS  23   7.224 -17.609  -3.427
  201    H    TRP  24           H        TRP  24   4.173 -15.113  -4.385
  202    HA   TRP  24           HA       TRP  24   3.563 -12.865  -2.523
  203    HB2  TRP  24           HB2      TRP  24   1.676 -15.064  -3.382
  204    HB3  TRP  24           HB3      TRP  24   1.505 -14.202  -1.874
  205    HD1  TRP  24           HD1      TRP  24   1.335 -13.538  -5.654
  206    HE1  TRP  24           HE1      TRP  24  -0.156 -11.518  -6.046
  207    HE3  TRP  24           HE3      TRP  24   0.787 -12.041  -0.827
  208    HZ2  TRP  24           HZ2      TRP  24  -1.670  -9.618  -4.412
  209    HZ3  TRP  24           HZ3      TRP  24  -0.713 -10.144  -0.258
  210    HH2  TRP  24           HH2      TRP  24  -1.992  -8.996  -2.013
  211    H    ALA  25           H        ALA  25   3.632 -13.398  -0.370
  212    HA   ALA  25           HA       ALA  25   4.395 -16.067   0.535
  213    HB1  ALA  25           HB1      ALA  25   6.511 -14.921  -0.368
  214    HB2  ALA  25           HB2      ALA  25   6.297 -13.695   0.901
  215    HB3  ALA  25           HB3      ALA  25   6.559 -15.404   1.315
  216    H    ILE  26           H        ILE  26   4.685 -15.900   3.049
  217    HA   ILE  26           HA       ILE  26   3.203 -13.588   4.189
  218    HB   ILE  26           HB       ILE  26   1.840 -15.671   3.665
  219   HG12  ILE  26          HG12      ILE  26   1.808 -14.757   6.568
  220   HG13  ILE  26          HG13      ILE  26   1.176 -13.827   5.196
  221   HG21  ILE  26          HG21      ILE  26   3.471 -17.358   4.398
  222   HG22  ILE  26          HG22      ILE  26   3.197 -16.885   6.092
  223   HG23  ILE  26          HG23      ILE  26   1.891 -17.583   5.120
  224   HD11  ILE  26          HD11      ILE  26   0.188 -16.522   6.159
  225   HD12  ILE  26          HD12      ILE  26  -0.700 -14.980   6.097
  226   HD13  ILE  26          HD13      ILE  26  -0.256 -15.820   4.590
  227    H    TYR  27           H        TYR  27   4.098 -12.760   5.991
  228    HA   TYR  27           HA       TYR  27   6.828 -13.358   6.569
  229    HB2  TYR  27           HB2      TYR  27   5.703 -11.143   6.540
  230    HB3  TYR  27           HB3      TYR  27   4.757 -11.603   7.938
  231    HD1  TYR  27           HD2      TYR  27   8.239 -12.689   8.350
  232    HD2  TYR  27           HD1      TYR  27   5.617  -9.261   8.512
  233    HE1  TYR  27           HE2      TYR  27   9.783 -11.584   9.889
  234    HE2  TYR  27           HE1      TYR  27   7.207  -8.119  10.022
  235    HH   TYR  27           HH       TYR  27   9.228  -8.286  11.194
  236    H    VAL  28           H        VAL  28   7.696 -14.695   8.081
  237    HA   VAL  28           HA       VAL  28   6.188 -15.360  10.520
  238    HB   VAL  28           HB       VAL  28   6.748 -17.718  10.413
  239   HG11  VAL  28          HG11      VAL  28   5.136 -18.504   8.803
  240   HG12  VAL  28          HG12      VAL  28   4.541 -16.990   9.504
  241   HG13  VAL  28          HG13      VAL  28   5.236 -16.999   7.872
  242   HG21  VAL  28          HG21      VAL  28   7.592 -18.838   8.434
  243   HG22  VAL  28          HG22      VAL  28   7.691 -17.300   7.545
  244   HG23  VAL  28          HG23      VAL  28   8.754 -17.611   8.933
  245    H    GLY  29           H        GLY  29   7.747 -16.399  12.171
  246    HA2  GLY  29           HA2      GLY  29   9.693 -16.304  13.387
  247    HA3  GLY  29           HA3      GLY  29  10.563 -16.275  11.846
  248    H    ASP  30           H        ASP  30  12.033 -14.644  12.173
  249    HA   ASP  30           HA       ASP  30  11.009 -11.922  12.868
  250    HB2  ASP  30           HB2      ASP  30  12.433 -13.004  14.599
  251    HB3  ASP  30           HB3      ASP  30  13.737 -13.138  13.420
  252    H    GLY  31           H        GLY  31  11.683 -13.598  10.231
  253    HA2  GLY  31           HA2      GLY  31  12.123 -11.450   8.515
  254    HA3  GLY  31           HA3      GLY  31  13.734 -12.096   8.871
  255    H    TYR  32           H        TYR  32  11.024 -14.394   8.806
  256    HA   TYR  32           HA       TYR  32  12.110 -15.500   6.256
  257    HB2  TYR  32           HB2      TYR  32  11.009 -16.839   8.747
  258    HB3  TYR  32           HB3      TYR  32  11.086 -17.655   7.194
  259    HD1  TYR  32           HD1      TYR  32  13.225 -15.937   9.742
  260    HD2  TYR  32           HD2      TYR  32  13.073 -18.681   6.414
  261    HE1  TYR  32           HE1      TYR  32  15.597 -16.548  10.142
  262    HE2  TYR  32           HE2      TYR  32  15.436 -19.295   6.800
  263    HH   TYR  32           HH       TYR  32  17.337 -18.950   8.105
  264    H    VAL  33           H        VAL  33  10.437 -16.768   5.068
  265    HA   VAL  33           HA       VAL  33   7.684 -15.914   5.628
  266    HB   VAL  33           HB       VAL  33   7.255 -15.540   3.243
  267   HG11  VAL  33          HG11      VAL  33   7.510 -13.577   4.591
  268   HG12  VAL  33          HG12      VAL  33   9.271 -13.609   4.386
  269   HG13  VAL  33          HG13      VAL  33   8.207 -13.284   3.000
  270   HG21  VAL  33          HG21      VAL  33   9.116 -15.025   1.664
  271   HG22  VAL  33          HG22      VAL  33  10.290 -15.548   2.889
  272   HG23  VAL  33          HG23      VAL  33   9.148 -16.709   2.193
  273    H    VAL  34           H        VAL  34   6.103 -17.302   4.819
  274    HA   VAL  34           HA       VAL  34   7.013 -19.950   3.790
  275    HB   VAL  34           HB       VAL  34   4.558 -19.046   5.326
  276   HG11  VAL  34          HG11      VAL  34   3.649 -20.397   3.528
  277   HG12  VAL  34          HG12      VAL  34   4.882 -21.659   3.802
  278   HG13  VAL  34          HG13      VAL  34   3.626 -21.339   5.018
  279   HG21  VAL  34          HG21      VAL  34   6.555 -19.746   6.606
  280   HG22  VAL  34          HG22      VAL  34   5.178 -20.826   6.865
  281   HG23  VAL  34          HG23      VAL  34   6.504 -21.327   5.796
  282    H    HIS  35           H        HIS  35   6.189 -20.519   1.703
  283    HA   HIS  35           HA       HIS  35   4.362 -18.773   0.287
  284    HB2  HIS  35           HB2      HIS  35   5.862 -17.842  -1.298
  285    HB3  HIS  35           HB3      HIS  35   6.497 -17.436   0.284
  286    HD2  HIS  35           HD2      HIS  35   8.237 -20.149   0.807
  287    HE1  HIS  35           HE1      HIS  35  10.295 -18.990  -2.731
  288    HE2  HIS  35           HE2      HIS  35  10.413 -20.417  -0.630
  289    H    LEU  36           H        LEU  36   4.407 -19.460  -2.169
  290    HA   LEU  36           HA       LEU  36   4.584 -22.413  -2.300
  291    HB2  LEU  36           HB2      LEU  36   3.410 -20.269  -4.091
  292    HB3  LEU  36           HB3      LEU  36   3.830 -21.832  -4.761
  293    HG   LEU  36           HG       LEU  36   1.477 -21.766  -4.276
  294   HD11  LEU  36          HD11      LEU  36   2.761 -23.575  -2.188
  295   HD12  LEU  36          HD12      LEU  36   1.190 -23.765  -2.969
  296   HD13  LEU  36          HD13      LEU  36   2.674 -23.945  -3.919
  297   HD21  LEU  36          HD21      LEU  36   2.142 -21.328  -1.344
  298   HD22  LEU  36          HD22      LEU  36   1.504 -20.091  -2.456
  299   HD23  LEU  36          HD23      LEU  36   0.551 -21.541  -2.090
  300    H    ALA  37           H        ALA  37   6.058 -23.456  -3.579
  301    HA   ALA  37           HA       ALA  37   8.159 -21.908  -4.999
  302    HB1  ALA  37           HB1      ALA  37   8.977 -22.529  -2.725
  303    HB2  ALA  37           HB2      ALA  37   8.559 -24.232  -3.050
  304    HB3  ALA  37           HB3      ALA  37   9.838 -23.445  -3.973
  305    HA   PRO  38           HA       PRO  38   7.495 -25.176  -8.037
  306    HB2  PRO  38           HB2      PRO  38  10.034 -25.637  -9.007
  307    HB3  PRO  38           HB3      PRO  38   9.033 -24.224  -9.457
  308    HG2  PRO  38           HG2      PRO  38  11.221 -24.396  -7.367
  309    HG3  PRO  38           HG3      PRO  38  10.974 -23.129  -8.612
  310    HD2  PRO  38           HD2      PRO  38  10.144 -22.788  -6.054
  311    HD3  PRO  38           HD3      PRO  38   9.158 -22.190  -7.417
  312    HA   PRO  39           HA       PRO  39   8.198 -28.893  -5.836
  313    HB2  PRO  39           HB2      PRO  39   8.271 -30.872  -7.743
  314    HB3  PRO  39           HB3      PRO  39   6.797 -29.943  -7.335
  315    HG2  PRO  39           HG2      PRO  39   8.753 -29.424  -9.602
  316    HG3  PRO  39           HG3      PRO  39   6.971 -29.536  -9.697
  317    HD2  PRO  39           HD2      PRO  39   8.214 -27.139  -9.525
  318    HD3  PRO  39           HD3      PRO  39   6.693 -27.429  -8.631
  319    H    SER  40           H        SER  40  10.594 -28.080  -8.289
  320    HA   SER  40           HA       SER  40  12.739 -28.644  -8.684
  321    HB2  SER  40           HB2      SER  40  12.869 -28.966  -5.670
  322    HB3  SER  40           HB3      SER  40  14.226 -28.653  -6.766
  323    HG   SER  40           HG       SER  40  13.418 -26.743  -5.779
  324    H    GLU  41           H        GLU  41  14.551 -30.490  -7.536
  325    HA   GLU  41           HA       GLU  41  13.283 -33.131  -8.002
  326    HB2  GLU  41           HB2      GLU  41  14.248 -31.963 -10.112
  327    HB3  GLU  41           HB3      GLU  41  15.838 -32.253  -9.405
  328    HG2  GLU  41           HG2      GLU  41  15.314 -34.721  -9.374
  329    HG3  GLU  41           HG3      GLU  41  13.721 -34.371 -10.035
  330    H    VAL  42           H        VAL  42  14.049 -31.890  -5.592
  331    HA   VAL  42           HA       VAL  42  15.061 -32.183  -3.650
  332    HB   VAL  42           HB       VAL  42  16.473 -34.652  -4.700
  333   HG11  VAL  42          HG11      VAL  42  15.590 -33.847  -1.897
  334   HG12  VAL  42          HG12      VAL  42  16.347 -35.391  -2.347
  335   HG13  VAL  42          HG13      VAL  42  17.260 -33.890  -2.501
  336   HG21  VAL  42          HG21      VAL  42  13.657 -34.422  -3.524
  337   HG22  VAL  42          HG22      VAL  42  14.069 -34.967  -5.165
  338   HG23  VAL  42          HG23      VAL  42  14.533 -35.948  -3.780
  339    H    ALA  43           H        ALA  43  17.284 -32.534  -6.395
  340    HA   ALA  43           HA       ALA  43  19.077 -30.513  -5.260
  341    HB1  ALA  43           HB1      ALA  43  21.063 -31.984  -5.529
  342    HB2  ALA  43           HB2      ALA  43  19.933 -32.665  -4.343
  343    HB3  ALA  43           HB3      ALA  43  20.003 -33.337  -5.987
  344    H    GLY  44           H        GLY  44  20.821 -29.997  -6.944
  345    HA2  GLY  44           HA2      GLY  44  20.731 -30.829  -9.624
  346    HA3  GLY  44           HA3      GLY  44  19.703 -29.390  -9.472
  347    H    ALA  45           H        ALA  45  21.774 -28.967 -11.042
  348    HA   ALA  45           HA       ALA  45  24.242 -28.242  -9.786
  349    HB1  ALA  45           HB1      ALA  45  24.032 -28.786 -12.189
  350    HB2  ALA  45           HB2      ALA  45  23.040 -27.327 -12.438
  351    HB3  ALA  45           HB3      ALA  45  24.741 -27.179 -11.951
  352    H    GLY  46           H        GLY  46  21.183 -26.587  -9.967
  353    HA2  GLY  46           HA2      GLY  46  21.595 -24.600  -8.174
  354    HA3  GLY  46           HA3      GLY  46  22.230 -23.875  -9.664
  355    H    ALA  47           H        ALA  47  20.283 -25.415 -11.359
  356    HA   ALA  47           HA       ALA  47  17.616 -24.508 -10.563
  357    HB1  ALA  47           HB1      ALA  47  17.267 -23.341 -12.734
  358    HB2  ALA  47           HB2      ALA  47  18.541 -22.549 -11.791
  359    HB3  ALA  47           HB3      ALA  47  18.971 -23.606 -13.156
  360    H    ALA  48           H        ALA  48  16.073 -25.282 -12.412
  361    HA   ALA  48           HA       ALA  48  16.953 -27.617 -13.936
  362    HB1  ALA  48           HB1      ALA  48  15.209 -29.083 -12.984
  363    HB2  ALA  48           HB2      ALA  48  16.303 -28.571 -11.687
  364    HB3  ALA  48           HB3      ALA  48  14.700 -27.814 -11.867
  365    H    SER  49           H        SER  49  14.907 -28.388 -15.225
  366    HA   SER  49           HA       SER  49  13.683 -26.316 -16.623
  367    HB2  SER  49           HB2      SER  49  12.546 -29.101 -16.258
  368    HB3  SER  49           HB3      SER  49  12.413 -28.034 -17.670
  369    HG   SER  49           HG       SER  49  14.007 -29.672 -17.951
  370    H    VAL  50           H        VAL  50  12.867 -27.323 -13.403
  371    HA   VAL  50           HA       VAL  50  10.118 -26.637 -13.471
  372    HB   VAL  50           HB       VAL  50  10.133 -26.575 -11.127
  373   HG11  VAL  50          HG11      VAL  50  10.476 -28.792 -12.252
  374   HG12  VAL  50          HG12      VAL  50  12.207 -28.681 -11.878
  375   HG13  VAL  50          HG13      VAL  50  11.012 -28.738 -10.570
  376   HG21  VAL  50          HG21      VAL  50  12.033 -25.160 -10.590
  377   HG22  VAL  50          HG22      VAL  50  12.203 -26.689  -9.739
  378   HG23  VAL  50          HG23      VAL  50  13.172 -26.378 -11.190
  379    H    MET  51           H        MET  51  13.071 -24.664 -13.261
  380    HA   MET  51           HA       MET  51  11.708 -22.153 -12.746
  381    HB2  MET  51           HB2      MET  51  14.468 -22.780 -13.903
  382    HB3  MET  51           HB3      MET  51  13.846 -21.157 -13.631
  383    HG2  MET  51           HG2      MET  51  15.169 -21.584 -11.769
  384    HG3  MET  51           HG3      MET  51  13.510 -21.736 -11.202
  385    HE1  MET  51           HE1      MET  51  15.393 -24.220  -8.865
  386    HE2  MET  51           HE2      MET  51  15.953 -22.641  -9.460
  387    HE3  MET  51           HE3      MET  51  14.256 -22.858  -8.969
  388    H    SER  52           H        SER  52  12.594 -24.035 -15.652
  389    HA   SER  52           HA       SER  52  11.618 -22.109 -17.557
  390    HB2  SER  52           HB2      SER  52  11.880 -25.106 -17.956
  391    HB3  SER  52           HB3      SER  52  12.024 -23.824 -19.160
  392    HG   SER  52           HG       SER  52  13.963 -23.180 -18.182
  393    H    ALA  53           H        ALA  53   9.882 -23.568 -15.190
  394    HA   ALA  53           HA       ALA  53   7.787 -24.088 -14.778
  395    HB1  ALA  53           HB1      ALA  53   7.477 -21.776 -15.621
  396    HB2  ALA  53           HB2      ALA  53   7.102 -22.432 -17.234
  397    HB3  ALA  53           HB3      ALA  53   6.052 -22.796 -15.855
  398    H    LEU  54           H        LEU  54   9.301 -25.994 -16.432
  399    HA   LEU  54           HA       LEU  54   7.473 -27.192 -18.312
  400    HB2  LEU  54           HB2      LEU  54   9.977 -27.403 -18.339
  401    HB3  LEU  54           HB3      LEU  54   9.881 -28.382 -16.874
  402    HG   LEU  54           HG       LEU  54   8.656 -30.147 -18.101
  403   HD11  LEU  54          HD11      LEU  54   8.959 -28.316 -20.528
  404   HD12  LEU  54          HD12      LEU  54   8.465 -30.023 -20.591
  405   HD13  LEU  54          HD13      LEU  54   7.432 -28.845 -19.785
  406   HD21  LEU  54          HD21      LEU  54  11.187 -29.244 -19.522
  407   HD22  LEU  54          HD22      LEU  54  11.092 -30.230 -18.041
  408   HD23  LEU  54          HD23      LEU  54  10.481 -30.875 -19.568
  409    H    THR  55           H        THR  55   7.439 -27.123 -14.873
  410    HA   THR  55           HA       THR  55   5.971 -29.680 -14.620
  411    HB   THR  55           HB       THR  55   6.387 -29.122 -12.115
  412    HG1  THR  55           HG1      THR  55   7.231 -27.046 -12.308
  413   HG21  THR  55          HG21      THR  55   7.507 -30.975 -13.327
  414   HG22  THR  55          HG22      THR  55   8.782 -29.853 -13.855
  415   HG23  THR  55          HG23      THR  55   8.568 -30.224 -12.128
  416    H    ASP  56           H        ASP  56   3.885 -29.465 -13.533
  417    HA   ASP  56           HA       ASP  56   2.833 -26.742 -13.950
  418    HB2  ASP  56           HB2      ASP  56   2.311 -28.732 -15.594
  419    HB3  ASP  56           HB3      ASP  56   1.119 -29.176 -14.366
  420    H    LYS  57           H        LYS  57   3.758 -27.952 -11.487
  421    HA   LYS  57           HA       LYS  57   1.370 -27.681  -9.745
  422    HB2  LYS  57           HB2      LYS  57   2.192 -29.528  -8.438
  423    HB3  LYS  57           HB3      LYS  57   2.074 -30.033 -10.128
  424    HG2  LYS  57           HG2      LYS  57   4.526 -29.677 -10.395
  425    HG3  LYS  57           HG3      LYS  57   4.652 -29.242  -8.685
  426    HD2  LYS  57           HD2      LYS  57   3.598 -31.908  -9.700
  427    HD3  LYS  57           HD3      LYS  57   5.289 -31.598  -9.289
  428    HE2  LYS  57           HE2      LYS  57   4.621 -30.985  -6.963
  429    HE3  LYS  57           HE3      LYS  57   2.938 -31.356  -7.343
  430    HZ1  LYS  57           HZ1      LYS  57   5.141 -33.332  -7.536
  431    HZ2  LYS  57           HZ2      LYS  57   4.188 -33.189  -6.229
  432    HZ3  LYS  57           HZ3      LYS  57   3.541 -33.647  -7.670
  433    H    ALA  58           H        ALA  58   2.375 -27.571  -7.342
  434    HA   ALA  58           HA       ALA  58   4.883 -26.103  -7.098
  435    HB1  ALA  58           HB1      ALA  58   3.132 -24.304  -7.605
  436    HB2  ALA  58           HB2      ALA  58   2.252 -24.830  -6.172
  437    HB3  ALA  58           HB3      ALA  58   3.889 -24.154  -6.007
  438    H    ILE  59           H        ILE  59   5.184 -25.629  -4.663
  439    HA   ILE  59           HA       ILE  59   3.718 -27.500  -2.919
  440    HB   ILE  59           HB       ILE  59   5.691 -28.502  -2.072
  441   HG12  ILE  59          HG12      ILE  59   7.393 -26.858  -3.975
  442   HG13  ILE  59          HG13      ILE  59   7.254 -26.594  -2.230
  443   HG21  ILE  59          HG21      ILE  59   6.004 -28.710  -5.081
  444   HG22  ILE  59          HG22      ILE  59   6.402 -29.936  -3.863
  445   HG23  ILE  59          HG23      ILE  59   4.726 -29.518  -4.160
  446   HD11  ILE  59          HD11      ILE  59   9.261 -27.828  -2.592
  447   HD12  ILE  59          HD12      ILE  59   8.070 -28.923  -1.841
  448   HD13  ILE  59          HD13      ILE  59   8.422 -29.041  -3.578
  449    H    VAL  60           H        VAL  60   4.050 -26.867  -0.591
  450    HA   VAL  60           HA       VAL  60   4.429 -23.937  -0.376
  451    HB   VAL  60           HB       VAL  60   3.596 -25.966   1.735
  452   HG11  VAL  60          HG11      VAL  60   2.747 -24.006   2.953
  453   HG12  VAL  60          HG12      VAL  60   4.461 -23.774   2.612
  454   HG13  VAL  60          HG13      VAL  60   3.254 -22.927   1.632
  455   HG21  VAL  60          HG21      VAL  60   1.275 -25.166   1.393
  456   HG22  VAL  60          HG22      VAL  60   1.803 -24.188   0.010
  457   HG23  VAL  60          HG23      VAL  60   1.883 -25.966  -0.053
  458    H    LYS  61           H        LYS  61   6.223 -23.079   0.677
  459    HA   LYS  61           HA       LYS  61   8.249 -24.901   1.863
  460    HB2  LYS  61           HB2      LYS  61   8.458 -24.280  -0.741
  461    HB3  LYS  61           HB3      LYS  61   9.067 -22.752  -0.105
  462    HG2  LYS  61           HG2      LYS  61  10.738 -24.235   1.261
  463    HG3  LYS  61           HG3      LYS  61  10.171 -25.568   0.239
  464    HD2  LYS  61           HD2      LYS  61  10.797 -24.097  -1.779
  465    HD3  LYS  61           HD3      LYS  61  11.561 -22.994  -0.615
  466    HE2  LYS  61           HE2      LYS  61  12.811 -25.146   0.205
  467    HE3  LYS  61           HE3      LYS  61  12.251 -25.858  -1.323
  468    HZ1  LYS  61           HZ1      LYS  61  13.941 -23.434  -1.032
  469    HZ2  LYS  61           HZ2      LYS  61  14.463 -24.904  -1.534
  470    HZ3  LYS  61           HZ3      LYS  61  13.434 -24.054  -2.475
  471    H    LYS  62           H        LYS  62  10.029 -23.467   2.901
  472    HA   LYS  62           HA       LYS  62   9.058 -20.791   3.711
  473    HB2  LYS  62           HB2      LYS  62   8.575 -22.298   5.584
  474    HB3  LYS  62           HB3      LYS  62  10.217 -22.951   5.525
  475    HG2  LYS  62           HG2      LYS  62  11.131 -20.737   6.170
  476    HG3  LYS  62           HG3      LYS  62   9.489 -20.067   6.218
  477    HD2  LYS  62           HD2      LYS  62   8.879 -21.548   8.053
  478    HD3  LYS  62           HD3      LYS  62  10.432 -22.406   7.929
  479    HE2  LYS  62           HE2      LYS  62  11.648 -20.327   8.502
  480    HE3  LYS  62           HE3      LYS  62  10.114 -19.450   8.616
  481    HZ1  LYS  62           HZ1      LYS  62  10.861 -21.736  10.347
  482    HZ2  LYS  62           HZ2      LYS  62  10.939 -20.169  10.788
  483    HZ3  LYS  62           HZ3      LYS  62   9.483 -20.845  10.471
  484    H    GLU  63           H        GLU  63  10.735 -19.260   3.805
  485    HA   GLU  63           HA       GLU  63  13.517 -20.021   3.288
  486    HB2  GLU  63           HB2      GLU  63  11.726 -18.542   1.312
  487    HB3  GLU  63           HB3      GLU  63  13.473 -18.349   1.290
  488    HG2  GLU  63           HG2      GLU  63  11.970 -20.946   0.793
  489    HG3  GLU  63           HG3      GLU  63  12.664 -19.894  -0.422
  490    H    LEU  64           H        LEU  64  14.878 -18.034   3.428
  491    HA   LEU  64           HA       LEU  64  13.941 -16.092   5.361
  492    HB2  LEU  64           HB2      LEU  64  16.364 -16.830   5.016
  493    HB3  LEU  64           HB3      LEU  64  16.328 -16.016   3.452
  494    HG   LEU  64           HG       LEU  64  15.767 -13.852   4.744
  495   HD11  LEU  64          HD11      LEU  64  16.789 -15.504   7.102
  496   HD12  LEU  64          HD12      LEU  64  16.390 -13.772   7.108
  497   HD13  LEU  64          HD13      LEU  64  15.113 -14.974   6.904
  498   HD21  LEU  64          HD21      LEU  64  18.446 -15.224   5.207
  499   HD22  LEU  64          HD22      LEU  64  17.976 -14.279   3.779
  500   HD23  LEU  64          HD23      LEU  64  18.143 -13.481   5.351
  501    H    LEU  65           H        LEU  65  13.087 -13.988   4.916
  502    HA   LEU  65           HA       LEU  65  11.610 -13.694   2.548
  503    HB2  LEU  65           HB2      LEU  65  11.170 -12.489   4.666
  504    HB3  LEU  65           HB3      LEU  65  12.578 -11.473   4.414
  505    HG   LEU  65           HG       LEU  65  10.501 -11.618   2.205
  506   HD11  LEU  65          HD11      LEU  65  10.209  -9.905   4.730
  507   HD12  LEU  65          HD12      LEU  65   9.187  -9.805   3.280
  508   HD13  LEU  65          HD13      LEU  65   9.161 -11.258   4.279
  509   HD21  LEU  65          HD21      LEU  65  12.157  -9.284   3.319
  510   HD22  LEU  65          HD22      LEU  65  12.534 -10.176   1.839
  511   HD23  LEU  65          HD23      LEU  65  11.070  -9.224   1.917
  512    H    TYR  66           H        TYR  66  14.805 -12.303   3.369
  513    HA   TYR  66           HA       TYR  66  14.986 -10.710   1.055
  514    HB2  TYR  66           HB2      TYR  66  17.249 -11.830   2.744
  515    HB3  TYR  66           HB3      TYR  66  17.325 -10.420   1.690
  516    HD1  TYR  66           HD1      TYR  66  15.462  -8.544   2.167
  517    HD2  TYR  66           HD2      TYR  66  16.810 -11.460   5.053
  518    HE1  TYR  66           HE1      TYR  66  14.586  -7.131   4.000
  519    HE2  TYR  66           HE2      TYR  66  15.940 -10.057   6.889
  520    HH   TYR  66           HH       TYR  66  14.850  -8.077   7.462
  521    H    ASP  67           H        ASP  67  15.430 -14.174   1.320
  522    HA   ASP  67           HA       ASP  67  17.020 -14.380  -1.152
  523    HB2  ASP  67           HB2      ASP  67  17.182 -16.176   0.505
  524    HB3  ASP  67           HB3      ASP  67  15.441 -16.463   0.410
  525    H    VAL  68           H        VAL  68  13.594 -14.818  -0.098
  526    HA   VAL  68           HA       VAL  68  12.573 -15.475  -2.662
  527    HB   VAL  68           HB       VAL  68  11.101 -14.153  -0.314
  528   HG11  VAL  68          HG11      VAL  68   9.108 -15.240  -1.244
  529   HG12  VAL  68          HG12      VAL  68   9.828 -14.205  -2.482
  530   HG13  VAL  68          HG13      VAL  68  10.060 -15.960  -2.557
  531   HG21  VAL  68          HG21      VAL  68  11.745 -17.079  -0.939
  532   HG22  VAL  68          HG22      VAL  68  12.150 -16.168   0.531
  533   HG23  VAL  68          HG23      VAL  68  10.473 -16.587   0.185
  534    H    ALA  69           H        ALA  69  12.892 -12.341  -0.979
  535    HA   ALA  69           HA       ALA  69  11.709 -10.792  -3.102
  536    HB1  ALA  69           HB1      ALA  69  12.416  -8.892  -1.716
  537    HB2  ALA  69           HB2      ALA  69  11.609 -10.124  -0.726
  538    HB3  ALA  69           HB3      ALA  69  13.385  -9.968  -0.693
  539    H    GLY  70           H        GLY  70  14.773 -12.263  -2.935
  540    HA2  GLY  70           HA2      GLY  70  16.543 -10.223  -3.692
  541    HA3  GLY  70           HA3      GLY  70  16.747 -11.955  -3.998
  542    H    SER  71           H        SER  71  14.117 -11.870  -5.647
  543    HA   SER  71           HA       SER  71  15.229 -11.763  -8.177
  544    HB2  SER  71           HB2      SER  71  12.318 -11.230  -7.602
  545    HB3  SER  71           HB3      SER  71  13.021 -12.171  -8.931
  546    HG   SER  71           HG       SER  71  13.644 -13.734  -7.364
  547    H    ASP  72           H        ASP  72  13.292  -9.217  -6.530
  548    HA   ASP  72           HA       ASP  72  14.761  -7.150  -7.836
  549    HB2  ASP  72           HB2      ASP  72  13.159  -7.694  -9.669
  550    HB3  ASP  72           HB3      ASP  72  11.846  -7.335  -8.556
  551    H    LYS  73           H        LYS  73  11.544  -7.566  -6.338
  552    HA   LYS  73           HA       LYS  73  12.217  -5.578  -4.229
  553    HB2  LYS  73           HB2      LYS  73  10.454  -5.222  -6.662
  554    HB3  LYS  73           HB3      LYS  73  10.022  -4.376  -5.156
  555    HG2  LYS  73           HG2      LYS  73  12.351  -3.340  -5.224
  556    HG3  LYS  73           HG3      LYS  73  12.529  -4.063  -6.830
  557    HD2  LYS  73           HD2      LYS  73  10.222  -2.838  -7.336
  558    HD3  LYS  73           HD3      LYS  73  10.652  -1.881  -5.913
  559    HE2  LYS  73           HE2      LYS  73  11.599  -0.608  -7.625
  560    HE3  LYS  73           HE3      LYS  73  12.973  -1.586  -7.098
  561    HZ1  LYS  73           HZ1      LYS  73  12.248  -3.164  -8.969
  562    HZ2  LYS  73           HZ2      LYS  73  11.299  -1.951  -9.501
  563    HZ3  LYS  73           HZ3      LYS  73  12.912  -1.726  -9.435
  564    H    TYR  74           H        TYR  74  10.146  -5.181  -2.843
  565    HA   TYR  74           HA       TYR  74   7.997  -7.065  -3.098
  566    HB2  TYR  74           HB2      TYR  74   8.268  -8.274  -1.073
  567    HB3  TYR  74           HB3      TYR  74   9.785  -8.442  -1.911
  568    HD1  TYR  74           HD1      TYR  74  11.744  -6.813  -1.134
  569    HD2  TYR  74           HD2      TYR  74   8.134  -7.447   1.140
  570    HE1  TYR  74           HE1      TYR  74  12.885  -5.993   0.900
  571    HE2  TYR  74           HE2      TYR  74   9.257  -6.616   3.174
  572    HH   TYR  74           HH       TYR  74  11.241  -5.796   4.091
  573    H    GLN  75           H        GLN  75   6.322  -6.647  -1.395
  574    HA   GLN  75           HA       GLN  75   6.778  -4.520   0.445
  575    HB2  GLN  75           HB2      GLN  75   4.854  -3.109  -0.182
  576    HB3  GLN  75           HB3      GLN  75   6.227  -2.969  -1.250
  577    HG2  GLN  75           HG2      GLN  75   3.853  -4.745  -1.914
  578    HG3  GLN  75           HG3      GLN  75   3.841  -3.026  -2.232
  579   HE21  GLN  75          HE22      GLN  75   3.407  -4.619  -4.338
  580   HE22  GLN  75          HE21      GLN  75   4.782  -4.559  -5.436
  581    H    VAL  76           H        VAL  76   5.083  -4.290   2.039
  582    HA   VAL  76           HA       VAL  76   3.676  -6.823   2.572
  583    HB   VAL  76           HB       VAL  76   3.934  -4.198   4.109
  584   HG11  VAL  76          HG11      VAL  76   2.617  -6.817   4.954
  585   HG12  VAL  76          HG12      VAL  76   2.992  -5.475   6.055
  586   HG13  VAL  76          HG13      VAL  76   1.827  -5.242   4.755
  587   HG21  VAL  76          HG21      VAL  76   5.098  -6.803   5.086
  588   HG22  VAL  76          HG22      VAL  76   6.004  -5.861   3.890
  589   HG23  VAL  76          HG23      VAL  76   5.576  -5.138   5.433
  590    H    ASN  77           H        ASN  77   1.455  -7.002   2.290
  591    HA   ASN  77           HA       ASN  77  -0.219  -4.675   1.736
  592    HB2  ASN  77           HB2      ASN  77  -0.833  -5.229  -0.502
  593    HB3  ASN  77           HB3      ASN  77   0.893  -4.923  -0.444
  594   HD21  ASN  77          HD22      ASN  77  -0.719  -6.435  -2.457
  595   HD22  ASN  77          HD21      ASN  77  -0.077  -8.064  -2.450
  596    H    ASN  78           H        ASN  78  -0.943  -5.799   3.761
  597    HA   ASN  78           HA       ASN  78  -2.502  -8.229   3.641
  598    HB2  ASN  78           HB2      ASN  78  -2.765  -5.780   5.438
  599    HB3  ASN  78           HB3      ASN  78  -3.711  -7.255   5.604
  600   HD21  ASN  78          HD22      ASN  78  -1.577  -5.890   7.379
  601   HD22  ASN  78          HD21      ASN  78  -0.608  -7.271   7.855
  602    H    LYS  79           H        LYS  79  -3.970  -8.374   1.957
  603    HA   LYS  79           HA       LYS  79  -5.270  -6.052   0.859
  604    HB2  LYS  79           HB2      LYS  79  -5.917  -9.020   0.528
  605    HB3  LYS  79           HB3      LYS  79  -6.682  -7.707  -0.375
  606    HG2  LYS  79           HG2      LYS  79  -4.379  -7.013  -1.197
  607    HG3  LYS  79           HG3      LYS  79  -3.729  -8.453  -0.406
  608    HD2  LYS  79           HD2      LYS  79  -4.008  -8.978  -2.712
  609    HD3  LYS  79           HD3      LYS  79  -5.261  -9.866  -1.826
  610    HE2  LYS  79           HE2      LYS  79  -6.881  -8.003  -2.476
  611    HE3  LYS  79           HE3      LYS  79  -5.565  -7.268  -3.406
  612    HZ1  LYS  79           HZ1      LYS  79  -5.464  -9.463  -4.630
  613    HZ2  LYS  79           HZ2      LYS  79  -6.885  -9.855  -3.925
  614    HZ3  LYS  79           HZ3      LYS  79  -6.814  -8.556  -4.909
  615    H    HIS  80           H        HIS  80  -7.069  -5.006   1.524
  616    HA   HIS  80           HA       HIS  80  -8.798  -4.372   2.824
  617    HB2  HIS  80           HB2      HIS  80  -9.802  -7.089   1.974
  618    HB3  HIS  80           HB3      HIS  80 -10.771  -5.756   2.633
  619    HD2  HIS  80           HD2      HIS  80  -9.112  -6.939  -0.593
  620    HE1  HIS  80           HE1      HIS  80 -10.926  -3.196  -1.521
  621    HE2  HIS  80           HE2      HIS  80  -9.768  -5.243  -2.494
  622    H    ASP  81           H        ASP  81  -6.715  -5.176   4.392
  623    HA   ASP  81           HA       ASP  81  -7.411  -6.819   6.569
  624    HB2  ASP  81           HB2      ASP  81  -5.203  -5.650   6.013
  625    HB3  ASP  81           HB3      ASP  81  -5.873  -4.199   6.752
  626    H    ASP  82           H        ASP  82  -8.995  -4.029   5.557
  627    HA   ASP  82           HA       ASP  82  -9.933  -3.034   8.182
  628    HB2  ASP  82           HB2      ASP  82  -9.410  -1.421   6.407
  629    HB3  ASP  82           HB3      ASP  82 -10.512  -2.237   5.298
  630    H    LYS  83           H        LYS  83 -10.827  -5.292   5.669
  631    HA   LYS  83           HA       LYS  83 -13.640  -5.496   6.691
  632    HB2  LYS  83           HB2      LYS  83 -12.529  -6.258   3.975
  633    HB3  LYS  83           HB3      LYS  83 -14.220  -6.191   4.411
  634    HG2  LYS  83           HG2      LYS  83 -12.544  -3.636   4.472
  635    HG3  LYS  83           HG3      LYS  83 -13.021  -4.326   2.954
  636    HD2  LYS  83           HD2      LYS  83 -14.552  -2.560   3.714
  637    HD3  LYS  83           HD3      LYS  83 -15.333  -4.098   3.391
  638    HE2  LYS  83           HE2      LYS  83 -16.351  -3.059   5.289
  639    HE3  LYS  83           HE3      LYS  83 -15.565  -4.549   5.801
  640    HZ1  LYS  83           HZ1      LYS  83 -15.283  -2.441   7.202
  641    HZ2  LYS  83           HZ2      LYS  83 -13.933  -3.314   6.938
  642    HZ3  LYS  83           HZ3      LYS  83 -14.165  -1.949   6.101
  643    H    TYR  84           H        TYR  84 -10.629  -7.112   6.396
  644    HA   TYR  84           HA       TYR  84 -11.810  -9.777   7.043
  645    HB2  TYR  84           HB2      TYR  84  -9.746  -9.081   4.923
  646    HB3  TYR  84           HB3      TYR  84 -10.062 -10.712   5.498
  647    HD1  TYR  84           HD2      TYR  84 -12.196 -11.861   5.176
  648    HD2  TYR  84           HD1      TYR  84 -11.288  -8.093   3.318
  649    HE1  TYR  84           HE2      TYR  84 -14.039 -12.231   3.557
  650    HE2  TYR  84           HE1      TYR  84 -13.128  -8.436   1.681
  651    HH   TYR  84           HH       TYR  84 -15.204 -11.377   1.727
  652    H    SER  85           H        SER  85  -9.209 -10.929   6.992
  653    HA   SER  85           HA       SER  85  -7.729 -11.673   8.504
  654    HB2  SER  85           HB2      SER  85  -7.377  -8.809   9.415
  655    HB3  SER  85           HB3      SER  85  -6.248 -10.156   9.612
  656    HG   SER  85           HG       SER  85  -6.096  -8.484   7.809
  657    HA   PRO  86           HA       PRO  86 -10.895 -11.535  11.980
  658    HB2  PRO  86           HB2      PRO  86 -11.141 -14.439  11.370
  659    HB3  PRO  86           HB3      PRO  86 -12.431 -13.243  11.684
  660    HG2  PRO  86           HG2      PRO  86 -11.941 -14.271   9.190
  661    HG3  PRO  86           HG3      PRO  86 -12.473 -12.573   9.434
  662    HD2  PRO  86           HD2      PRO  86  -9.665 -13.611   8.995
  663    HD3  PRO  86           HD3      PRO  86 -10.512 -12.242   8.223
  664    H    LEU  87           H        LEU  87  -7.970 -13.108  11.055
  665    HA   LEU  87           HA       LEU  87  -7.836 -14.760  13.495
  666    HB2  LEU  87           HB2      LEU  87  -6.150 -14.738  10.969
  667    HB3  LEU  87           HB3      LEU  87  -6.011 -15.904  12.289
  668    HG   LEU  87           HG       LEU  87  -8.422 -15.533  10.447
  669   HD11  LEU  87          HD11      LEU  87  -7.767 -17.752   9.578
  670   HD12  LEU  87          HD12      LEU  87  -6.473 -16.561   9.355
  671   HD13  LEU  87          HD13      LEU  87  -6.349 -17.768  10.655
  672   HD21  LEU  87          HD21      LEU  87  -7.957 -17.564  12.685
  673   HD22  LEU  87          HD22      LEU  87  -9.213 -16.305  12.638
  674   HD23  LEU  87          HD23      LEU  87  -9.270 -17.640  11.490
  675    HA   PRO  88           HA       PRO  88  -4.559 -12.002  14.989
  676    HB2  PRO  88           HB2      PRO  88  -3.564 -13.479  17.046
  677    HB3  PRO  88           HB3      PRO  88  -5.186 -12.725  17.124
  678    HG2  PRO  88           HG2      PRO  88  -4.491 -15.579  16.388
  679    HG3  PRO  88           HG3      PRO  88  -5.734 -15.015  17.549
  680    HD2  PRO  88           HD2      PRO  88  -6.315 -15.690  14.949
  681    HD3  PRO  88           HD3      PRO  88  -7.199 -14.397  15.816
  682    H    CYS  89           H        CYS  89  -2.224 -11.977  14.987
  683    HA   CYS  89           HA       CYS  89  -0.903 -13.143  12.879
  684    HB2  CYS  89           HB2      CYS  89   0.214 -12.253  15.579
  685    HB3  CYS  89           HB3      CYS  89   1.194 -12.571  14.140
  686    HG   CYS  89           HG       CYS  89   0.664 -10.704  12.784
  687    H    SER  90           H        SER  90  -0.887 -14.395  16.276
  688    HA   SER  90           HA       SER  90   0.912 -16.425  15.940
  689    HB2  SER  90           HB2      SER  90  -1.568 -16.641  17.678
  690    HB3  SER  90           HB3      SER  90   0.042 -17.323  17.978
  691    HG   SER  90           HG       SER  90  -0.323 -15.407  19.183
  692    H    LYS  91           H        LYS  91  -2.623 -16.698  15.398
  693    HA   LYS  91           HA       LYS  91  -2.496 -19.497  14.732
  694    HB2  LYS  91           HB2      LYS  91  -4.648 -17.437  14.137
  695    HB3  LYS  91           HB3      LYS  91  -4.803 -19.180  13.890
  696    HG2  LYS  91           HG2      LYS  91  -4.328 -17.871  16.602
  697    HG3  LYS  91           HG3      LYS  91  -5.896 -18.372  15.966
  698    HD2  LYS  91           HD2      LYS  91  -5.060 -20.731  15.832
  699    HD3  LYS  91           HD3      LYS  91  -3.534 -20.205  16.584
  700    HE2  LYS  91           HE2      LYS  91  -4.787 -19.383  18.560
  701    HE3  LYS  91           HE3      LYS  91  -6.308 -19.892  17.816
  702    HZ1  LYS  91           HZ1      LYS  91  -5.511 -21.528  19.392
  703    HZ2  LYS  91           HZ2      LYS  91  -5.509 -22.183  17.903
  704    HZ3  LYS  91           HZ3      LYS  91  -4.103 -21.713  18.597
  705    H    ILE  92           H        ILE  92  -2.313 -16.507  12.763
  706    HA   ILE  92           HA       ILE  92  -2.526 -17.825  10.224
  707    HB   ILE  92           HB       ILE  92  -1.081 -15.256  11.006
  708   HG12  ILE  92          HG12      ILE  92  -3.777 -15.424   9.619
  709   HG13  ILE  92          HG13      ILE  92  -3.696 -15.487  11.367
  710   HG21  ILE  92          HG21      ILE  92  -1.317 -14.683   8.561
  711   HG22  ILE  92          HG22      ILE  92  -0.245 -16.048   8.844
  712   HG23  ILE  92          HG23      ILE  92  -1.901 -16.328   8.269
  713   HD11  ILE  92          HD11      ILE  92  -4.082 -13.188  10.436
  714   HD12  ILE  92          HD12      ILE  92  -2.710 -13.327  11.549
  715   HD13  ILE  92          HD13      ILE  92  -2.418 -13.215   9.814
  716    H    ILE  93           H        ILE  93   0.309 -16.928  12.270
  717    HA   ILE  93           HA       ILE  93   2.306 -18.030  10.570
  718    HB   ILE  93           HB       ILE  93   2.233 -17.552  13.575
  719   HG12  ILE  93          HG12      ILE  93   3.593 -15.784  11.496
  720   HG13  ILE  93          HG13      ILE  93   1.904 -15.561  11.902
  721   HG21  ILE  93          HG21      ILE  93   4.728 -17.489  13.463
  722   HG22  ILE  93          HG22      ILE  93   4.073 -19.079  13.089
  723   HG23  ILE  93          HG23      ILE  93   4.642 -18.035  11.773
  724   HD11  ILE  93          HD11      ILE  93   2.992 -14.070  13.313
  725   HD12  ILE  93          HD12      ILE  93   2.620 -15.426  14.372
  726   HD13  ILE  93          HD13      ILE  93   4.275 -15.230  13.745
  727    H    GLN  94           H        GLN  94   0.508 -19.402  13.361
  728    HA   GLN  94           HA       GLN  94   1.729 -21.922  13.552
  729    HB2  GLN  94           HB2      GLN  94  -1.086 -20.893  14.028
  730    HB3  GLN  94           HB3      GLN  94  -0.799 -22.608  14.115
  731    HG2  GLN  94           HG2      GLN  94   0.510 -20.495  15.846
  732    HG3  GLN  94           HG3      GLN  94  -0.784 -21.589  16.304
  733   HE21  GLN  94          HE22      GLN  94   0.320 -24.101  15.079
  734   HE22  GLN  94          HE21      GLN  94   1.734 -24.469  16.033
  735    H    ARG  95           H        ARG  95  -1.077 -20.927  11.517
  736    HA   ARG  95           HA       ARG  95  -1.308 -23.520  10.354
  737    HB2  ARG  95           HB2      ARG  95  -3.055 -21.740  10.565
  738    HB3  ARG  95           HB3      ARG  95  -2.343 -20.925   9.163
  739    HG2  ARG  95           HG2      ARG  95  -3.060 -22.605   7.690
  740    HG3  ARG  95           HG3      ARG  95  -2.994 -23.874   8.921
  741    HD2  ARG  95           HD2      ARG  95  -5.309 -23.390   8.307
  742    HD3  ARG  95           HD3      ARG  95  -4.984 -23.042  10.004
  743    HE   ARG  95           HE       ARG  95  -4.896 -20.677   9.516
  744   HH11  ARG  95          HH21      ARG  95  -6.542 -22.646   7.046
  745   HH12  ARG  95          HH22      ARG  95  -7.338 -21.282   6.329
  746   HH21  ARG  95          HH11      ARG  95  -5.692 -18.874   8.337
  747   HH22  ARG  95          HH12      ARG  95  -6.610 -19.143   6.909
  748    H    ALA  96           H        ALA  96   0.270 -20.510   9.095
  749    HA   ALA  96           HA       ALA  96   1.164 -21.499   6.669
  750    HB1  ALA  96           HB1      ALA  96   2.884 -19.780   6.796
  751    HB2  ALA  96           HB2      ALA  96   1.439 -19.136   7.591
  752    HB3  ALA  96           HB3      ALA  96   2.791 -19.733   8.564
  753    H    GLU  97           H        GLU  97   2.777 -21.847   9.841
  754    HA   GLU  97           HA       GLU  97   4.936 -23.416   8.672
  755    HB2  GLU  97           HB2      GLU  97   4.319 -22.676  11.559
  756    HB3  GLU  97           HB3      GLU  97   5.793 -23.475  10.987
  757    HG2  GLU  97           HG2      GLU  97   6.119 -21.498   9.399
  758    HG3  GLU  97           HG3      GLU  97   4.858 -20.659  10.292
  759    H    GLU  98           H        GLU  98   1.791 -24.299   9.850
  760    HA   GLU  98           HA       GLU  98   2.544 -27.025  10.539
  761    HB2  GLU  98           HB2      GLU  98  -0.031 -25.458  10.273
  762    HB3  GLU  98           HB3      GLU  98  -0.083 -27.221  10.282
  763    HG2  GLU  98           HG2      GLU  98   0.845 -27.409  12.424
  764    HG3  GLU  98           HG3      GLU  98   1.446 -25.753  12.438
  765    H    LEU  99           H        LEU  99   1.759 -25.156   7.701
  766    HA   LEU  99           HA       LEU  99   1.180 -27.602   6.118
  767    HB2  LEU  99           HB2      LEU  99   0.611 -24.681   5.553
  768    HB3  LEU  99           HB3      LEU  99   0.059 -26.051   4.589
  769    HG   LEU  99           HG       LEU  99  -0.739 -25.556   7.501
  770   HD11  LEU  99          HD11      LEU  99  -1.617 -23.820   6.056
  771   HD12  LEU  99          HD12      LEU  99  -2.258 -25.033   4.918
  772   HD13  LEU  99          HD13      LEU  99  -2.926 -24.901   6.560
  773   HD21  LEU  99          HD21      LEU  99  -2.476 -27.221   7.149
  774   HD22  LEU  99          HD22      LEU  99  -1.823 -27.578   5.534
  775   HD23  LEU  99          HD23      LEU  99  -0.865 -27.913   7.008
  776    H    VAL 100           H        VAL 100   3.841 -25.544   6.621
  777    HA   VAL 100           HA       VAL 100   4.995 -25.396   4.077
  778    HB   VAL 100           HB       VAL 100   5.819 -24.346   6.169
  779   HG11  VAL 100          HG11      VAL 100   7.175 -25.496   7.777
  780   HG12  VAL 100          HG12      VAL 100   5.646 -26.381   7.660
  781   HG13  VAL 100          HG13      VAL 100   7.093 -27.018   6.869
  782   HG21  VAL 100          HG21      VAL 100   7.249 -24.417   4.212
  783   HG22  VAL 100          HG22      VAL 100   8.220 -24.577   5.687
  784   HG23  VAL 100          HG23      VAL 100   7.907 -26.001   4.689
  785    H    GLY 101           H        GLY 101   6.192 -26.830   2.784
  786    HA2  GLY 101           HA2      GLY 101   7.236 -28.743   2.145
  787    HA3  GLY 101           HA3      GLY 101   6.905 -29.486   3.717
  788    H    GLN 102           H        GLN 102   3.913 -28.324   2.654
  789    HA   GLN 102           HA       GLN 102   3.064 -30.986   1.760
  790    HB2  GLN 102           HB2      GLN 102   1.622 -28.321   2.120
  791    HB3  GLN 102           HB3      GLN 102   0.862 -29.733   1.371
  792    HG2  GLN 102           HG2      GLN 102   1.355 -31.107   3.338
  793    HG3  GLN 102           HG3      GLN 102   2.085 -29.719   4.159
  794   HE21  GLN 102          HE22      GLN 102   0.267 -30.689   5.701
  795   HE22  GLN 102          HE21      GLN 102  -1.277 -29.881   5.593
  796    H    GLU 103           H        GLU 103   2.109 -31.360  -0.284
  797    HA   GLU 103           HA       GLU 103   3.313 -29.744  -2.481
  798    HB2  GLU 103           HB2      GLU 103   2.127 -32.558  -2.480
  799    HB3  GLU 103           HB3      GLU 103   2.735 -31.696  -3.899
  800    HG2  GLU 103           HG2      GLU 103   5.003 -31.614  -2.853
  801    HG3  GLU 103           HG3      GLU 103   4.390 -32.531  -1.476
  802    H    VAL 104           H        VAL 104   1.934 -28.958  -4.138
  803    HA   VAL 104           HA       VAL 104  -0.956 -29.499  -3.906
  804    HB   VAL 104           HB       VAL 104  -1.343 -27.203  -4.652
  805   HG11  VAL 104          HG11      VAL 104   0.012 -27.318  -1.931
  806   HG12  VAL 104          HG12      VAL 104  -1.196 -26.132  -2.459
  807   HG13  VAL 104          HG13      VAL 104  -1.653 -27.834  -2.278
  808   HG21  VAL 104          HG21      VAL 104   0.227 -25.398  -4.361
  809   HG22  VAL 104          HG22      VAL 104   1.485 -26.519  -3.826
  810   HG23  VAL 104          HG23      VAL 104   0.870 -26.576  -5.504
  811    H    LEU 105           H        LEU 105  -1.922 -28.729  -6.183
  812    HA   LEU 105           HA       LEU 105  -0.162 -29.971  -8.241
  813    HB2  LEU 105           HB2      LEU 105  -2.552 -30.959  -7.002
  814    HB3  LEU 105           HB3      LEU 105  -3.014 -30.485  -8.610
  815    HG   LEU 105           HG       LEU 105  -2.417 -32.828  -8.536
  816   HD11  LEU 105          HD11      LEU 105  -0.218 -31.349 -10.042
  817   HD12  LEU 105          HD12      LEU 105  -0.793 -33.002 -10.336
  818   HD13  LEU 105          HD13      LEU 105  -1.871 -31.628 -10.626
  819   HD21  LEU 105          HD21      LEU 105  -0.864 -32.724  -6.603
  820   HD22  LEU 105          HD22      LEU 105  -0.217 -33.668  -7.955
  821   HD23  LEU 105          HD23      LEU 105   0.387 -32.027  -7.647
  822    H    TYR 106           H        TYR 106  -1.342 -27.083  -7.562
  823    HA   TYR 106           HA       TYR 106  -2.074 -26.412 -10.365
  824    HB2  TYR 106           HB2      TYR 106  -2.731 -24.221  -9.432
  825    HB3  TYR 106           HB3      TYR 106  -3.689 -25.560  -8.848
  826    HD1  TYR 106           HD1      TYR 106  -0.854 -23.290  -7.879
  827    HD2  TYR 106           HD2      TYR 106  -3.980 -25.931  -6.516
  828    HE1  TYR 106           HE1      TYR 106  -0.466 -22.541  -5.548
  829    HE2  TYR 106           HE2      TYR 106  -3.610 -25.180  -4.189
  830    HH   TYR 106           HH       TYR 106  -2.393 -23.776  -2.780
  831    H    LYS 107           H        LYS 107  -0.745 -25.020 -11.537
  832    HA   LYS 107           HA       LYS 107   1.961 -24.849 -11.055
  833    HB2  LYS 107           HB2      LYS 107   0.257 -24.430 -13.131
  834    HB3  LYS 107           HB3      LYS 107   0.436 -22.742 -12.632
  835    HG2  LYS 107           HG2      LYS 107   2.940 -23.045 -12.835
  836    HG3  LYS 107           HG3      LYS 107   2.612 -24.714 -13.340
  837    HD2  LYS 107           HD2      LYS 107   1.218 -23.736 -15.264
  838    HD3  LYS 107           HD3      LYS 107   1.790 -22.146 -14.771
  839    HE2  LYS 107           HE2      LYS 107   3.117 -22.899 -16.624
  840    HE3  LYS 107           HE3      LYS 107   4.136 -22.856 -15.182
  841    HZ1  LYS 107           HZ1      LYS 107   4.364 -24.890 -16.624
  842    HZ2  LYS 107           HZ2      LYS 107   4.071 -25.233 -15.075
  843    HZ3  LYS 107           HZ3      LYS 107   2.831 -25.338 -16.153
  844    H    LEU 108           H        LEU 108   3.306 -22.968 -10.535
  845    HA   LEU 108           HA       LEU 108   2.237 -21.118  -8.554
  846    HB2  LEU 108           HB2      LEU 108   4.840 -21.007 -10.168
  847    HB3  LEU 108           HB3      LEU 108   4.337 -19.852  -8.947
  848    HG   LEU 108           HG       LEU 108   4.163 -21.957  -7.365
  849   HD11  LEU 108          HD11      LEU 108   6.272 -22.897  -9.376
  850   HD12  LEU 108          HD12      LEU 108   5.809 -23.688  -7.853
  851   HD13  LEU 108          HD13      LEU 108   4.674 -23.637  -9.192
  852   HD21  LEU 108          HD21      LEU 108   6.828 -20.744  -8.212
  853   HD22  LEU 108          HD22      LEU 108   5.684 -20.055  -7.038
  854   HD23  LEU 108          HD23      LEU 108   6.493 -21.578  -6.679
  855    H    THR 109           H        THR 109   1.098 -19.309  -9.021
  856    HA   THR 109           HA       THR 109   1.746 -17.730 -11.382
  857    HB   THR 109           HB       THR 109  -0.615 -17.237 -11.857
  858    HG1  THR 109           HG1      THR 109  -2.228 -18.563 -10.995
  859   HG21  THR 109          HG21      THR 109  -0.198 -20.256 -12.050
  860   HG22  THR 109          HG22      THR 109  -1.263 -19.252 -13.054
  861   HG23  THR 109          HG23      THR 109   0.494 -19.069 -13.180
  862    H    SER 110           H        SER 110   1.102 -15.459 -10.941
  863    HA   SER 110           HA       SER 110   1.596 -14.500  -8.403
  864    HB2  SER 110           HB2      SER 110  -0.267 -13.325 -10.526
  865    HB3  SER 110           HB3      SER 110   0.611 -12.432  -9.269
  866    HG   SER 110           HG       SER 110   2.532 -13.160 -10.166
  867    H    GLU 111           H        GLU 111  -1.570 -15.478  -9.811
  868    HA   GLU 111           HA       GLU 111  -2.897 -14.451  -7.401
  869    HB2  GLU 111           HB2      GLU 111  -4.168 -15.644  -9.864
  870    HB3  GLU 111           HB3      GLU 111  -4.922 -14.634  -8.628
  871    HG2  GLU 111           HG2      GLU 111  -2.833 -13.795 -10.690
  872    HG3  GLU 111           HG3      GLU 111  -4.514 -13.317 -10.627
  873    H    ASN 112           H        ASN 112  -1.945 -17.640  -8.659
  874    HA   ASN 112           HA       ASN 112  -3.623 -19.103  -6.771
  875    HB2  ASN 112           HB2      ASN 112  -1.052 -19.820  -8.244
  876    HB3  ASN 112           HB3      ASN 112  -1.787 -20.874  -7.052
  877   HD21  ASN 112          HD22      ASN 112  -1.404 -21.636  -9.791
  878   HD22  ASN 112          HD21      ASN 112  -2.996 -21.869 -10.481
  879    H    CYS 113           H        CYS 113  -0.332 -17.631  -6.694
  880    HA   CYS 113           HA       CYS 113   0.209 -18.625  -4.039
  881    HB2  CYS 113           HB2      CYS 113   1.476 -16.272  -5.502
  882    HB3  CYS 113           HB3      CYS 113   2.097 -17.092  -4.053
  883    HG   CYS 113           HG       CYS 113   1.719 -18.131  -7.140
  884    H    GLU 114           H        GLU 114  -1.119 -15.495  -5.300
  885    HA   GLU 114           HA       GLU 114  -1.513 -14.152  -2.879
  886    HB2  GLU 114           HB2      GLU 114  -2.047 -13.225  -5.156
  887    HB3  GLU 114           HB3      GLU 114  -3.422 -14.310  -5.251
  888    HG2  GLU 114           HG2      GLU 114  -4.404 -13.219  -3.220
  889    HG3  GLU 114           HG3      GLU 114  -3.065 -12.083  -3.214
  890    H    HIS 115           H        HIS 115  -3.624 -16.563  -4.483
  891    HA   HIS 115           HA       HIS 115  -5.767 -16.476  -2.674
  892    HB2  HIS 115           HB2      HIS 115  -5.919 -17.409  -4.906
  893    HB3  HIS 115           HB3      HIS 115  -4.744 -18.658  -4.531
  894    HD2  HIS 115           HD2      HIS 115  -5.526 -20.747  -3.017
  895    HE1  HIS 115           HE1      HIS 115  -9.709 -19.960  -3.234
  896    HE2  HIS 115           HE2      HIS 115  -7.945 -21.675  -2.576
  897    H    PHE 116           H        PHE 116  -2.881 -18.691  -2.695
  898    HA   PHE 116           HA       PHE 116  -3.704 -20.135  -0.409
  899    HB2  PHE 116           HB2      PHE 116  -1.967 -20.997  -1.823
  900    HB3  PHE 116           HB3      PHE 116  -1.005 -19.537  -1.657
  901    HD1  PHE 116           HD2      PHE 116  -2.148 -22.609   0.153
  902    HD2  PHE 116           HD1      PHE 116   0.495 -19.204   0.187
  903    HE1  PHE 116           HE2      PHE 116  -0.906 -23.580   2.073
  904    HE2  PHE 116           HE1      PHE 116   1.689 -20.133   2.140
  905    HZ   PHE 116           HZ       PHE 116   1.012 -22.352   3.068
  906    H    VAL 117           H        VAL 117  -1.421 -17.329  -0.553
  907    HA   VAL 117           HA       VAL 117  -1.138 -17.344   2.283
  908    HB   VAL 117           HB       VAL 117  -0.075 -15.203   2.139
  909   HG11  VAL 117          HG11      VAL 117   0.757 -16.933  -0.221
  910   HG12  VAL 117          HG12      VAL 117   1.751 -15.761   0.644
  911   HG13  VAL 117          HG13      VAL 117   1.195 -17.214   1.485
  912   HG21  VAL 117          HG21      VAL 117  -1.526 -14.040   0.478
  913   HG22  VAL 117          HG22      VAL 117   0.192 -13.943   0.098
  914   HG23  VAL 117          HG23      VAL 117  -0.845 -15.062  -0.801
  915    H    ASN 118           H        ASN 118  -3.599 -15.745   0.263
  916    HA   ASN 118           HA       ASN 118  -4.723 -14.225   2.474
  917    HB2  ASN 118           HB2      ASN 118  -5.733 -14.972  -0.293
  918    HB3  ASN 118           HB3      ASN 118  -6.818 -14.291   0.916
  919   HD21  ASN 118          HD22      ASN 118  -3.729 -13.620  -0.783
  920   HD22  ASN 118          HD21      ASN 118  -3.762 -11.885  -0.483
  921    H    GLU 119           H        GLU 119  -5.152 -17.571   1.332
  922    HA   GLU 119           HA       GLU 119  -7.417 -18.066   3.003
  923    HB2  GLU 119           HB2      GLU 119  -7.245 -19.698   1.432
  924    HB3  GLU 119           HB3      GLU 119  -5.498 -19.633   1.339
  925    HG2  GLU 119           HG2      GLU 119  -5.236 -20.881   3.355
  926    HG3  GLU 119           HG3      GLU 119  -6.986 -20.883   3.647
  927    H    LEU 120           H        LEU 120  -3.850 -18.218   3.583
  928    HA   LEU 120           HA       LEU 120  -4.145 -19.184   6.252
  929    HB2  LEU 120           HB2      LEU 120  -1.910 -17.461   5.172
  930    HB3  LEU 120           HB3      LEU 120  -1.858 -18.421   6.661
  931    HG   LEU 120           HG       LEU 120  -2.180 -19.557   3.861
  932   HD11  LEU 120          HD11      LEU 120   0.218 -19.241   5.703
  933   HD12  LEU 120          HD12      LEU 120   0.212 -20.332   4.317
  934   HD13  LEU 120          HD13      LEU 120   0.010 -18.592   4.061
  935   HD21  LEU 120          HD21      LEU 120  -3.143 -21.060   5.563
  936   HD22  LEU 120          HD22      LEU 120  -1.636 -21.722   4.937
  937   HD23  LEU 120          HD23      LEU 120  -1.653 -20.937   6.533
  938    H    ARG 121           H        ARG 121  -3.876 -15.846   4.956
  939    HA   ARG 121           HA       ARG 121  -3.882 -14.551   7.490
  940    HB2  ARG 121           HB2      ARG 121  -3.116 -13.539   5.362
  941    HB3  ARG 121           HB3      ARG 121  -4.769 -13.540   4.748
  942    HG2  ARG 121           HG2      ARG 121  -4.246 -11.309   5.412
  943    HG3  ARG 121           HG3      ARG 121  -5.398 -11.933   6.591
  944    HD2  ARG 121           HD2      ARG 121  -3.477 -12.445   8.119
  945    HD3  ARG 121           HD3      ARG 121  -2.383 -11.694   6.937
  946    HE   ARG 121           HE       ARG 121  -4.625 -10.011   7.756
  947   HH11  ARG 121          HH11      ARG 121  -1.325 -10.993   8.648
  948   HH12  ARG 121          HH12      ARG 121  -0.912  -9.433   9.298
  949   HH21  ARG 121          HH21      ARG 121  -4.108  -8.020   8.861
  950   HH22  ARG 121          HH22      ARG 121  -2.600  -7.888   9.703
  951    H    TYR 122           H        TYR 122  -6.586 -15.365   5.284
  952    HA   TYR 122           HA       TYR 122  -8.482 -13.971   7.084
  953    HB2  TYR 122           HB2      TYR 122  -8.916 -15.480   4.471
  954    HB3  TYR 122           HB3      TYR 122 -10.147 -14.597   5.344
  955    HD1  TYR 122           HD2      TYR 122  -7.461 -12.364   5.647
  956    HD2  TYR 122           HD1      TYR 122 -10.123 -14.067   2.703
  957    HE1  TYR 122           HE2      TYR 122  -7.194 -10.349   4.248
  958    HE2  TYR 122           HE1      TYR 122  -9.874 -12.043   1.305
  959    HH   TYR 122           HH       TYR 122  -7.894  -9.235   2.339
  960    H    GLY 123           H        GLY 123  -7.904 -17.300   5.909
  961    HA2  GLY 123           HA2      GLY 123  -8.717 -19.032   7.772
  962    HA3  GLY 123           HA3      GLY 123 -10.277 -18.293   7.389
  963    H    VAL 124           H        VAL 124 -10.359 -17.815   4.834
  964    HA   VAL 124           HA       VAL 124  -9.098 -19.745   3.117
  965    HB   VAL 124           HB       VAL 124 -10.988 -21.082   3.886
  966   HG11  VAL 124          HG11      VAL 124 -13.320 -20.517   3.454
  967   HG12  VAL 124          HG12      VAL 124 -12.600 -19.334   4.551
  968   HG13  VAL 124          HG13      VAL 124 -12.857 -18.918   2.841
  969   HG21  VAL 124          HG21      VAL 124 -11.458 -20.134   1.038
  970   HG22  VAL 124          HG22      VAL 124 -10.226 -21.309   1.555
  971   HG23  VAL 124          HG23      VAL 124 -11.944 -21.686   1.745
  972    H    ALA 125           H        ALA 125  -8.920 -18.730   1.034
  973    HA   ALA 125           HA       ALA 125  -9.314 -15.880   1.030
  974    HB1  ALA 125           HB1      ALA 125  -8.553 -17.825  -1.183
  975    HB2  ALA 125           HB2      ALA 125  -8.474 -16.055  -1.301
  976    HB3  ALA 125           HB3      ALA 125  -7.444 -16.913  -0.137
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1   7.850   6.559  -5.787
    2    H2   MET   1           H2       MET   1   6.446   6.530  -6.619
    3    H3   MET   1           H3       MET   1   6.977   7.939  -5.955
    4    HA   MET   1           HA       MET   1   6.752   7.002  -3.736
    5    HB2  MET   1           HB2      MET   1   4.209   6.983  -5.435
    6    HB3  MET   1           HB3      MET   1   4.238   6.815  -3.685
    7    HG2  MET   1           HG2      MET   1   3.756   9.074  -4.079
    8    HG3  MET   1           HG3      MET   1   5.407   9.009  -3.493
    9    HE1  MET   1           HE1      MET   1   4.011  10.220  -7.748
   10    HE2  MET   1           HE2      MET   1   3.722   8.579  -7.137
   11    HE3  MET   1           HE3      MET   1   2.962   9.973  -6.337
   12    H    ARG   2           H        ARG   2   6.358   5.214  -2.411
   13    HA   ARG   2           HA       ARG   2   5.445   2.670  -3.567
   14    HB2  ARG   2           HB2      ARG   2   8.170   3.031  -2.209
   15    HB3  ARG   2           HB3      ARG   2   7.344   1.490  -2.372
   16    HG2  ARG   2           HG2      ARG   2   7.325   1.924  -4.928
   17    HG3  ARG   2           HG3      ARG   2   8.476   3.227  -4.593
   18    HD2  ARG   2           HD2      ARG   2   9.696   1.207  -5.197
   19    HD3  ARG   2           HD3      ARG   2   9.984   1.578  -3.486
   20    HE   ARG   2           HE       ARG   2   7.782  -0.282  -4.168
   21   HH11  ARG   2          HH11      ARG   2  11.143  -0.084  -3.023
   22   HH12  ARG   2          HH12      ARG   2  11.040  -1.530  -2.086
   23   HH21  ARG   2          HH21      ARG   2   7.604  -2.047  -2.872
   24   HH22  ARG   2          HH22      ARG   2   8.968  -2.785  -2.095
   25    H    ALA   3           H        ALA   3   5.142   1.074  -1.711
   26    HA   ALA   3           HA       ALA   3   3.752   2.201   0.510
   27    HB1  ALA   3           HB1      ALA   3   5.014  -0.558   0.157
   28    HB2  ALA   3           HB2      ALA   3   3.827  -0.115   1.400
   29    HB3  ALA   3           HB3      ALA   3   3.358  -0.101  -0.311
   30    HA   PRO   4           HA       PRO   4   7.297   3.290   2.936
   31    HB2  PRO   4           HB2      PRO   4   6.258   3.368   5.508
   32    HB3  PRO   4           HB3      PRO   4   6.000   4.609   4.248
   33    HG2  PRO   4           HG2      PRO   4   4.151   2.375   5.078
   34    HG3  PRO   4           HG3      PRO   4   3.752   4.063   4.671
   35    HD2  PRO   4           HD2      PRO   4   3.452   1.977   2.904
   36    HD3  PRO   4           HD3      PRO   4   3.853   3.638   2.378
   37    H    ILE   5           H        ILE   5   5.685   0.251   3.634
   38    HA   ILE   5           HA       ILE   5   6.192  -1.586   4.831
   39    HB   ILE   5           HB       ILE   5   9.060  -1.226   3.919
   40   HG12  ILE   5          HG12      ILE   5   6.778  -2.289   2.198
   41   HG13  ILE   5          HG13      ILE   5   7.598  -0.746   1.966
   42   HG21  ILE   5          HG21      ILE   5   8.455  -3.171   5.432
   43   HG22  ILE   5          HG22      ILE   5   7.333  -3.740   4.181
   44   HG23  ILE   5          HG23      ILE   5   9.081  -3.666   3.872
   45   HD11  ILE   5          HD11      ILE   5   8.528  -2.254   0.399
   46   HD12  ILE   5          HD12      ILE   5   9.761  -1.933   1.628
   47   HD13  ILE   5          HD13      ILE   5   8.871  -3.474   1.634
   48    HA   PRO   6           HA       PRO   6   7.969   1.206   8.101
   49    HB2  PRO   6           HB2      PRO   6   5.893   1.409   9.863
   50    HB3  PRO   6           HB3      PRO   6   5.992   2.354   8.346
   51    HG2  PRO   6           HG2      PRO   6   4.417  -0.181   8.851
   52    HG3  PRO   6           HG3      PRO   6   3.894   1.313   8.018
   53    HD2  PRO   6           HD2      PRO   6   4.810  -0.924   6.682
   54    HD3  PRO   6           HD3      PRO   6   5.023   0.733   6.064
   55    H    GLU   7           H        GLU   7   5.890  -1.538   8.992
   56    HA   GLU   7           HA       GLU   7   7.951  -3.092  10.225
   57    HB2  GLU   7           HB2      GLU   7   6.948  -3.042  12.555
   58    HB3  GLU   7           HB3      GLU   7   7.964  -1.698  12.088
   59    HG2  GLU   7           HG2      GLU   7   6.017  -0.246  11.736
   60    HG3  GLU   7           HG3      GLU   7   4.917  -1.570  12.095
   61    HA   PRO   8           HA       PRO   8   4.162  -5.287   8.567
   62    HB2  PRO   8           HB2      PRO   8   6.397  -7.221   7.961
   63    HB3  PRO   8           HB3      PRO   8   4.960  -6.813   6.976
   64    HG2  PRO   8           HG2      PRO   8   7.404  -5.790   6.358
   65    HG3  PRO   8           HG3      PRO   8   5.941  -4.759   6.262
   66    HD2  PRO   8           HD2      PRO   8   7.999  -4.875   8.469
   67    HD3  PRO   8           HD3      PRO   8   7.230  -3.451   7.705
   68    H    LYS   9           H        LYS   9   3.035  -6.687   9.943
   69    HA   LYS   9           HA       LYS   9   4.474  -7.616  12.357
   70    HB2  LYS   9           HB2      LYS   9   2.357  -8.205  13.277
   71    HB3  LYS   9           HB3      LYS   9   2.279  -6.551  12.663
   72    HG2  LYS   9           HG2      LYS   9   0.882  -7.147  10.867
   73    HG3  LYS   9           HG3      LYS   9   1.218  -8.883  11.028
   74    HD2  LYS   9           HD2      LYS   9   0.050  -8.880  13.226
   75    HD3  LYS   9           HD3      LYS   9  -0.385  -7.173  12.964
   76    HE2  LYS   9           HE2      LYS   9  -1.532  -7.803  10.853
   77    HE3  LYS   9           HE3      LYS   9  -1.076  -9.493  11.095
   78    HZ1  LYS   9           HZ1      LYS   9  -2.903  -7.942  12.837
   79    HZ2  LYS   9           HZ2      LYS   9  -3.338  -9.126  11.793
   80    HZ3  LYS   9           HZ3      LYS   9  -2.441  -9.492  13.115
   81    HA   PRO  10           HA       PRO  10   4.893 -11.837  10.812
   82    HB2  PRO  10           HB2      PRO  10   3.863 -12.616  13.543
   83    HB3  PRO  10           HB3      PRO  10   5.261 -13.275  12.632
   84    HG2  PRO  10           HG2      PRO  10   5.684 -11.526  14.649
   85    HG3  PRO  10           HG3      PRO  10   6.586 -11.336  13.107
   86    HD2  PRO  10           HD2      PRO  10   4.113  -9.843  14.019
   87    HD3  PRO  10           HD3      PRO  10   5.615  -9.210  13.271
   88    H    GLY  11           H        GLY  11   3.432 -13.013   9.614
   89    HA2  GLY  11           HA2      GLY  11   1.414 -14.016   9.073
   90    HA3  GLY  11           HA3      GLY  11   0.564 -13.076  10.309
   91    H    ASP  12           H        ASP  12   2.490 -10.798   8.687
   92    HA   ASP  12           HA       ASP  12   0.214  -9.828   7.155
   93    HB2  ASP  12           HB2      ASP  12   3.062  -8.884   7.550
   94    HB3  ASP  12           HB3      ASP  12   2.092  -8.254   6.237
   95    H    LEU  13           H        LEU  13   0.016  -9.543   4.961
   96    HA   LEU  13           HA       LEU  13   1.142 -11.686   3.287
   97    HB2  LEU  13           HB2      LEU  13  -0.506  -9.224   2.537
   98    HB3  LEU  13           HB3      LEU  13  -0.011 -10.527   1.466
   99    HG   LEU  13           HG       LEU  13  -2.144 -10.638   3.609
  100   HD11  LEU  13          HD11      LEU  13  -3.527 -11.256   1.734
  101   HD12  LEU  13          HD12      LEU  13  -2.655  -9.759   1.353
  102   HD13  LEU  13          HD13      LEU  13  -2.113 -11.293   0.651
  103   HD21  LEU  13          HD21      LEU  13  -2.369 -13.053   2.980
  104   HD22  LEU  13          HD22      LEU  13  -0.784 -12.919   2.176
  105   HD23  LEU  13          HD23      LEU  13  -0.915 -12.700   3.925
  106    H    ILE  14           H        ILE  14   2.847 -11.472   1.925
  107    HA   ILE  14           HA       ILE  14   4.082  -8.784   1.540
  108    HB   ILE  14           HB       ILE  14   5.402 -11.525   1.760
  109   HG12  ILE  14          HG12      ILE  14   4.746 -10.774   3.974
  110   HG13  ILE  14          HG13      ILE  14   6.489 -10.779   3.784
  111   HG21  ILE  14          HG21      ILE  14   6.611 -10.202   0.158
  112   HG22  ILE  14          HG22      ILE  14   6.575  -8.780   1.207
  113   HG23  ILE  14          HG23      ILE  14   7.547 -10.210   1.653
  114   HD11  ILE  14          HD11      ILE  14   4.713  -8.300   3.737
  115   HD12  ILE  14          HD12      ILE  14   5.770  -8.817   5.055
  116   HD13  ILE  14          HD13      ILE  14   6.480  -8.296   3.520
  117    H    GLU  15           H        GLU  15   4.110  -8.206  -0.562
  118    HA   GLU  15           HA       GLU  15   3.768 -10.335  -2.620
  119    HB2  GLU  15           HB2      GLU  15   3.156  -8.718  -4.203
  120    HB3  GLU  15           HB3      GLU  15   2.125  -8.473  -2.794
  121    HG2  GLU  15           HG2      GLU  15   3.483  -6.525  -2.117
  122    HG3  GLU  15           HG3      GLU  15   4.602  -6.837  -3.454
  123    H    ILE  16           H        ILE  16   5.326 -10.369  -4.193
  124    HA   ILE  16           HA       ILE  16   8.037  -9.343  -3.522
  125    HB   ILE  16           HB       ILE  16   6.986 -12.025  -4.517
  126   HG12  ILE  16          HG12      ILE  16   6.716 -11.730  -2.072
  127   HG13  ILE  16          HG13      ILE  16   7.713 -13.082  -2.553
  128   HG21  ILE  16          HG21      ILE  16   9.847 -11.085  -4.265
  129   HG22  ILE  16          HG22      ILE  16   9.369 -12.792  -4.434
  130   HG23  ILE  16          HG23      ILE  16   9.008 -11.638  -5.717
  131   HD11  ILE  16          HD11      ILE  16   8.776 -10.418  -1.565
  132   HD12  ILE  16          HD12      ILE  16   8.657 -11.906  -0.607
  133   HD13  ILE  16          HD13      ILE  16   9.765 -11.824  -1.989
  134    H    PHE  17           H        PHE  17   8.623  -7.979  -5.198
  135    HA   PHE  17           HA       PHE  17   7.086  -7.991  -7.693
  136    HB2  PHE  17           HB2      PHE  17   8.801  -6.126  -6.325
  137    HB3  PHE  17           HB3      PHE  17   9.509  -6.442  -7.900
  138    HD1  PHE  17           HD1      PHE  17   6.439  -5.268  -6.130
  139    HD2  PHE  17           HD2      PHE  17   8.402  -5.736  -9.953
  140    HE1  PHE  17           HE1      PHE  17   4.707  -3.852  -7.206
  141    HE2  PHE  17           HE2      PHE  17   6.675  -4.303 -11.011
  142    HZ   PHE  17           HZ       PHE  17   4.825  -3.356  -9.640
  143    H    ARG  18           H        ARG  18   7.611  -9.034  -9.562
  144    HA   ARG  18           HA       ARG  18  10.197 -10.525  -9.724
  145    HB2  ARG  18           HB2      ARG  18   7.353 -11.128 -10.614
  146    HB3  ARG  18           HB3      ARG  18   8.709 -12.056 -11.179
  147    HG2  ARG  18           HG2      ARG  18   8.282 -11.809  -8.173
  148    HG3  ARG  18           HG3      ARG  18   7.241 -12.870  -9.124
  149    HD2  ARG  18           HD2      ARG  18   9.204 -13.979 -10.078
  150    HD3  ARG  18           HD3      ARG  18  10.274 -12.991  -9.076
  151    HE   ARG  18           HE       ARG  18   8.407 -15.151  -8.210
  152   HH11  ARG  18          HH21      ARG  18  11.281 -13.204  -7.374
  153   HH12  ARG  18          HH22      ARG  18  11.314 -13.730  -5.726
  154   HH21  ARG  18          HH11      ARG  18   8.645 -16.046  -6.115
  155   HH22  ARG  18          HH12      ARG  18   9.958 -15.555  -5.112
  156    HA   PRO  19           HA       PRO  19  10.848  -8.397 -13.530
  157    HB2  PRO  19           HB2      PRO  19  10.982 -10.920 -15.125
  158    HB3  PRO  19           HB3      PRO  19  12.116  -9.538 -15.013
  159    HG2  PRO  19           HG2      PRO  19  12.618 -11.898 -13.699
  160    HG3  PRO  19           HG3      PRO  19  12.965 -10.319 -12.917
  161    HD2  PRO  19           HD2      PRO  19  10.519 -12.080 -12.582
  162    HD3  PRO  19           HD3      PRO  19  11.517 -11.303 -11.321
  163    H    PHE  20           H        PHE  20   9.002  -7.438 -13.693
  164    HA   PHE  20           HA       PHE  20   7.082  -6.603 -14.497
  165    HB2  PHE  20           HB2      PHE  20   7.383  -8.440 -16.889
  166    HB3  PHE  20           HB3      PHE  20   6.420  -6.977 -16.788
  167    HD1  PHE  20           HD2      PHE  20   7.596  -4.721 -16.450
  168    HD2  PHE  20           HD1      PHE  20   9.704  -8.336 -17.508
  169    HE1  PHE  20           HE2      PHE  20   9.527  -3.371 -17.232
  170    HE2  PHE  20           HE1      PHE  20  11.632  -6.980 -18.287
  171    HZ   PHE  20           HZ       PHE  20  11.548  -4.496 -18.150
  172    H    TYR  21           H        TYR  21   6.967  -8.919 -12.654
  173    HA   TYR  21           HA       TYR  21   4.112  -9.158 -12.811
  174    HB2  TYR  21           HB2      TYR  21   3.843 -11.526 -12.698
  175    HB3  TYR  21           HB3      TYR  21   4.630 -11.098 -14.183
  176    HD1  TYR  21           HD1      TYR  21   6.942 -11.798 -14.657
  177    HD2  TYR  21           HD2      TYR  21   4.987 -12.908 -11.007
  178    HE1  TYR  21           HE1      TYR  21   8.568 -13.644 -14.354
  179    HE2  TYR  21           HE2      TYR  21   6.521 -14.794 -10.705
  180    HH   TYR  21           HH       TYR  21   8.357 -15.965 -11.613
  181    H    ARG  22           H        ARG  22   3.909 -11.171 -10.665
  182    HA   ARG  22           HA       ARG  22   5.662 -10.239  -8.593
  183    HB2  ARG  22           HB2      ARG  22   3.816  -9.624  -6.990
  184    HB3  ARG  22           HB3      ARG  22   4.227  -8.444  -8.214
  185    HG2  ARG  22           HG2      ARG  22   1.825  -8.545  -7.737
  186    HG3  ARG  22           HG3      ARG  22   2.184  -8.862  -9.436
  187    HD2  ARG  22           HD2      ARG  22   1.796 -11.204  -9.169
  188    HD3  ARG  22           HD3      ARG  22   1.754 -11.092  -7.410
  189    HE   ARG  22           HE       ARG  22  -0.459 -10.418  -7.483
  190   HH11  ARG  22          HH21      ARG  22   0.727 -10.210 -10.837
  191   HH12  ARG  22          HH22      ARG  22  -0.863 -10.227 -11.499
  192   HH21  ARG  22          HH11      ARG  22  -2.414 -10.556  -8.295
  193   HH22  ARG  22          HH12      ARG  22  -2.750 -10.358 -10.003
  194    H    HIS  23           H        HIS  23   5.402 -11.467  -6.646
  195    HA   HIS  23           HA       HIS  23   4.022 -14.079  -6.942
  196    HB2  HIS  23           HB2      HIS  23   6.379 -14.343  -7.523
  197    HB3  HIS  23           HB3      HIS  23   6.897 -13.539  -6.053
  198    HD2  HIS  23           HD2      HIS  23   6.736 -14.991  -3.727
  199    HE1  HIS  23           HE1      HIS  23   6.391 -18.756  -5.676
  200    HE2  HIS  23           HE2      HIS  23   6.918 -17.596  -3.475
  201    H    TRP  24           H        TRP  24   3.908 -15.017  -4.504
  202    HA   TRP  24           HA       TRP  24   3.616 -12.754  -2.591
  203    HB2  TRP  24           HB2      TRP  24   1.469 -14.750  -3.364
  204    HB3  TRP  24           HB3      TRP  24   1.456 -13.832  -1.881
  205    HD1  TRP  24           HD1      TRP  24   0.993 -13.374  -5.631
  206    HE1  TRP  24           HE1      TRP  24  -0.453 -11.289  -5.948
  207    HE3  TRP  24           HE3      TRP  24   1.149 -11.529  -0.900
  208    HZ2  TRP  24           HZ2      TRP  24  -1.154  -8.909  -4.459
  209    HZ3  TRP  24           HZ3      TRP  24   0.052  -9.335  -0.353
  210    HH2  TRP  24           HH2      TRP  24  -1.130  -8.067  -2.106
  211    H    ALA  25           H        ALA  25   3.670 -13.266  -0.474
  212    HA   ALA  25           HA       ALA  25   4.218 -15.992   0.445
  213    HB1  ALA  25           HB1      ALA  25   6.372 -15.418   1.310
  214    HB2  ALA  25           HB2      ALA  25   6.415 -14.935  -0.376
  215    HB3  ALA  25           HB3      ALA  25   6.197 -13.698   0.885
  216    H    ILE  26           H        ILE  26   4.434 -15.836   2.953
  217    HA   ILE  26           HA       ILE  26   3.032 -13.448   4.042
  218    HB   ILE  26           HB       ILE  26   1.697 -15.645   3.713
  219   HG12  ILE  26          HG12      ILE  26   1.723 -14.378   6.481
  220   HG13  ILE  26          HG13      ILE  26   1.028 -13.632   5.030
  221   HG21  ILE  26          HG21      ILE  26   3.176 -16.502   6.224
  222   HG22  ILE  26          HG22      ILE  26   1.849 -17.346   5.421
  223   HG23  ILE  26          HG23      ILE  26   3.388 -17.183   4.591
  224   HD11  ILE  26          HD11      ILE  26  -0.433 -15.643   4.730
  225   HD12  ILE  26          HD12      ILE  26   0.133 -16.219   6.316
  226   HD13  ILE  26          HD13      ILE  26  -0.762 -14.691   6.204
  227    H    TYR  27           H        TYR  27   3.984 -12.565   5.832
  228    HA   TYR  27           HA       TYR  27   6.741 -13.215   6.314
  229    HB2  TYR  27           HB2      TYR  27   5.602 -10.936   6.268
  230    HB3  TYR  27           HB3      TYR  27   4.867 -11.336   7.806
  231    HD1  TYR  27           HD2      TYR  27   8.348 -11.553   6.295
  232    HD2  TYR  27           HD1      TYR  27   5.883 -10.173   9.545
  233    HE1  TYR  27           HE2      TYR  27  10.315 -10.472   7.313
  234    HE2  TYR  27           HE1      TYR  27   7.856  -9.120  10.608
  235    HH   TYR  27           HH       TYR  27  11.104  -9.146   9.080
  236    H    VAL  28           H        VAL  28   7.661 -14.320   7.977
  237    HA   VAL  28           HA       VAL  28   6.067 -15.024  10.342
  238    HB   VAL  28           HB       VAL  28   6.613 -17.364  10.290
  239   HG11  VAL  28          HG11      VAL  28   5.203 -18.209   8.539
  240   HG12  VAL  28          HG12      VAL  28   4.517 -16.680   9.097
  241   HG13  VAL  28          HG13      VAL  28   5.410 -16.740   7.567
  242   HG21  VAL  28          HG21      VAL  28   7.905 -16.980   7.566
  243   HG22  VAL  28          HG22      VAL  28   8.766 -17.306   9.086
  244   HG23  VAL  28          HG23      VAL  28   7.669 -18.516   8.431
  245    H    GLY  29           H        GLY  29   7.497 -15.990  12.085
  246    HA2  GLY  29           HA2      GLY  29   9.265 -15.668  13.511
  247    HA3  GLY  29           HA3      GLY  29  10.324 -15.661  12.089
  248    H    ASP  30           H        ASP  30  11.481 -13.807  12.019
  249    HA   ASP  30           HA       ASP  30  10.059 -11.224  12.077
  250    HB2  ASP  30           HB2      ASP  30  10.919 -11.586  14.386
  251    HB3  ASP  30           HB3      ASP  30  12.548 -11.793  13.745
  252    H    GLY  31           H        GLY  31  10.899 -12.785   9.883
  253    HA2  GLY  31           HA2      GLY  31  12.380 -11.113   8.261
  254    HA3  GLY  31           HA3      GLY  31  13.607 -12.107   9.050
  255    H    TYR  32           H        TYR  32  11.041 -14.218   8.850
  256    HA   TYR  32           HA       TYR  32  12.066 -15.324   6.277
  257    HB2  TYR  32           HB2      TYR  32  10.942 -16.606   8.780
  258    HB3  TYR  32           HB3      TYR  32  10.990 -17.452   7.242
  259    HD1  TYR  32           HD1      TYR  32  13.152 -15.811   9.818
  260    HD2  TYR  32           HD2      TYR  32  12.990 -18.449   6.404
  261    HE1  TYR  32           HE1      TYR  32  15.512 -16.457  10.206
  262    HE2  TYR  32           HE2      TYR  32  15.342 -19.097   6.781
  263    HH   TYR  32           HH       TYR  32  17.240 -18.811   8.106
  264    H    VAL  33           H        VAL  33  10.361 -16.624   5.120
  265    HA   VAL  33           HA       VAL  33   7.624 -15.675   5.578
  266    HB   VAL  33           HB       VAL  33   7.291 -15.457   3.132
  267   HG11  VAL  33          HG11      VAL  33   7.363 -13.421   4.326
  268   HG12  VAL  33          HG12      VAL  33   9.140 -13.422   4.359
  269   HG13  VAL  33          HG13      VAL  33   8.260 -13.191   2.832
  270   HG21  VAL  33          HG21      VAL  33  10.332 -15.395   2.942
  271   HG22  VAL  33          HG22      VAL  33   9.268 -16.646   2.281
  272   HG23  VAL  33          HG23      VAL  33   9.198 -15.004   1.631
  273    H    VAL  34           H        VAL  34   6.029 -17.036   4.589
  274    HA   VAL  34           HA       VAL  34   6.951 -19.732   3.725
  275    HB   VAL  34           HB       VAL  34   4.542 -18.870   5.370
  276   HG11  VAL  34          HG11      VAL  34   4.948 -21.533   3.966
  277   HG12  VAL  34          HG12      VAL  34   3.762 -21.234   5.255
  278   HG13  VAL  34          HG13      VAL  34   3.616 -20.369   3.725
  279   HG21  VAL  34          HG21      VAL  34   6.559 -19.286   6.620
  280   HG22  VAL  34          HG22      VAL  34   5.412 -20.599   6.927
  281   HG23  VAL  34          HG23      VAL  34   6.790 -20.853   5.828
  282    H    HIS  35           H        HIS  35   6.119 -20.410   1.743
  283    HA   HIS  35           HA       HIS  35   4.163 -18.826   0.285
  284    HB2  HIS  35           HB2      HIS  35   5.599 -17.876  -1.345
  285    HB3  HIS  35           HB3      HIS  35   6.240 -17.401   0.213
  286    HD2  HIS  35           HD2      HIS  35   8.063 -20.095   0.753
  287    HE1  HIS  35           HE1      HIS  35  10.073 -18.865  -2.788
  288    HE2  HIS  35           HE2      HIS  35  10.235 -20.302  -0.697
  289    H    LEU  36           H        LEU  36   4.278 -19.580  -2.178
  290    HA   LEU  36           HA       LEU  36   4.447 -22.532  -2.182
  291    HB2  LEU  36           HB2      LEU  36   3.300 -20.440  -4.064
  292    HB3  LEU  36           HB3      LEU  36   3.692 -22.042  -4.656
  293    HG   LEU  36           HG       LEU  36   1.349 -21.880  -4.187
  294   HD11  LEU  36          HD11      LEU  36   2.477 -24.080  -3.844
  295   HD12  LEU  36          HD12      LEU  36   2.632 -23.710  -2.116
  296   HD13  LEU  36          HD13      LEU  36   1.031 -23.870  -2.840
  297   HD21  LEU  36          HD21      LEU  36   2.043 -21.433  -1.256
  298   HD22  LEU  36          HD22      LEU  36   1.407 -20.200  -2.371
  299   HD23  LEU  36          HD23      LEU  36   0.439 -21.630  -1.970
  300    H    ALA  37           H        ALA  37   5.926 -23.663  -3.418
  301    HA   ALA  37           HA       ALA  37   7.890 -22.220  -5.089
  302    HB1  ALA  37           HB1      ALA  37   8.607 -24.194  -2.872
  303    HB2  ALA  37           HB2      ALA  37   9.747 -23.419  -3.979
  304    HB3  ALA  37           HB3      ALA  37   8.873 -22.432  -2.793
  305    HA   PRO  38           HA       PRO  38   7.470 -25.894  -7.670
  306    HB2  PRO  38           HB2      PRO  38  10.486 -26.013  -7.725
  307    HB3  PRO  38           HB3      PRO  38   9.330 -26.088  -9.091
  308    HG2  PRO  38           HG2      PRO  38  10.693 -23.803  -8.576
  309    HG3  PRO  38           HG3      PRO  38   8.953 -23.738  -9.005
  310    HD2  PRO  38           HD2      PRO  38  10.213 -23.595  -6.257
  311    HD3  PRO  38           HD3      PRO  38   8.910 -22.586  -6.959
  312    HA   PRO  39           HA       PRO  39   8.134 -29.360  -4.914
  313    HB2  PRO  39           HB2      PRO  39   8.061 -31.519  -6.594
  314    HB3  PRO  39           HB3      PRO  39   6.615 -30.526  -6.242
  315    HG2  PRO  39           HG2      PRO  39   8.501 -30.281  -8.612
  316    HG3  PRO  39           HG3      PRO  39   6.720 -30.400  -8.644
  317    HD2  PRO  39           HD2      PRO  39   7.970 -28.003  -8.770
  318    HD3  PRO  39           HD3      PRO  39   6.469 -28.186  -7.818
  319    H    SER  40           H        SER  40  10.271 -28.796  -7.639
  320    HA   SER  40           HA       SER  40  12.549 -30.196  -6.355
  321    HB2  SER  40           HB2      SER  40  11.664 -30.487  -9.256
  322    HB3  SER  40           HB3      SER  40  13.079 -31.244  -8.503
  323    HG   SER  40           HG       SER  40  11.264 -32.658  -8.637
  324    H    GLU  41           H        GLU  41  12.602 -27.746  -5.845
  325    HA   GLU  41           HA       GLU  41  13.286 -25.938  -7.973
  326    HB2  GLU  41           HB2      GLU  41  12.065 -25.511  -5.722
  327    HB3  GLU  41           HB3      GLU  41  13.666 -25.525  -4.980
  328    HG2  GLU  41           HG2      GLU  41  14.295 -23.565  -6.431
  329    HG3  GLU  41           HG3      GLU  41  12.710 -23.650  -7.193
  330    H    VAL  42           H        VAL  42  15.013 -28.287  -7.649
  331    HA   VAL  42           HA       VAL  42  17.584 -27.022  -7.996
  332    HB   VAL  42           HB       VAL  42  18.751 -28.807  -6.654
  333   HG11  VAL  42          HG11      VAL  42  18.715 -26.416  -5.966
  334   HG12  VAL  42          HG12      VAL  42  17.266 -26.727  -4.983
  335   HG13  VAL  42          HG13      VAL  42  18.803 -27.516  -4.581
  336   HG21  VAL  42          HG21      VAL  42  16.124 -28.985  -5.093
  337   HG22  VAL  42          HG22      VAL  42  16.808 -30.266  -6.118
  338   HG23  VAL  42          HG23      VAL  42  17.667 -29.747  -4.663
  339    H    ALA  43           H        ALA  43  19.015 -28.440  -9.119
  340    HA   ALA  43           HA       ALA  43  18.059 -30.139 -11.024
  341    HB1  ALA  43           HB1      ALA  43  20.410 -30.998 -11.122
  342    HB2  ALA  43           HB2      ALA  43  20.331 -29.226 -10.997
  343    HB3  ALA  43           HB3      ALA  43  20.727 -30.198  -9.562
  344    H    GLY  44           H        GLY  44  16.986 -32.014 -10.919
  345    HA2  GLY  44           HA2      GLY  44  17.805 -34.332  -9.499
  346    HA3  GLY  44           HA3      GLY  44  16.599 -33.485  -8.518
  347    H    ALA  45           H        ALA  45  15.438 -32.587 -11.374
  348    HA   ALA  45           HA       ALA  45  14.152 -35.148 -12.145
  349    HB1  ALA  45           HB1      ALA  45  12.673 -32.558 -11.484
  350    HB2  ALA  45           HB2      ALA  45  11.946 -34.051 -12.113
  351    HB3  ALA  45           HB3      ALA  45  12.676 -34.038 -10.500
  352    H    GLY  46           H        GLY  46  16.257 -33.169 -13.256
  353    HA2  GLY  46           HA2      GLY  46  15.640 -33.366 -16.006
  354    HA3  GLY  46           HA3      GLY  46  15.289 -31.723 -15.432
  355    H    ALA  47           H        ALA  47  17.239 -31.783 -17.213
  356    HA   ALA  47           HA       ALA  47  19.855 -32.427 -16.283
  357    HB1  ALA  47           HB1      ALA  47  18.981 -30.552 -18.525
  358    HB2  ALA  47           HB2      ALA  47  20.584 -31.285 -18.333
  359    HB3  ALA  47           HB3      ALA  47  19.183 -32.316 -18.672
  360    H    ALA  48           H        ALA  48  17.897 -29.832 -15.289
  361    HA   ALA  48           HA       ALA  48  20.129 -28.399 -14.072
  362    HB1  ALA  48           HB1      ALA  48  19.847 -27.229 -16.287
  363    HB2  ALA  48           HB2      ALA  48  18.119 -26.995 -15.918
  364    HB3  ALA  48           HB3      ALA  48  19.353 -26.200 -14.928
  365    H    SER  49           H        SER  49  19.227 -26.858 -12.418
  366    HA   SER  49           HA       SER  49  16.959 -27.727 -11.002
  367    HB2  SER  49           HB2      SER  49  18.177 -24.936 -11.113
  368    HB3  SER  49           HB3      SER  49  17.206 -25.613  -9.793
  369    HG   SER  49           HG       SER  49  19.568 -25.693  -9.536
  370    H    VAL  50           H        VAL  50  17.221 -25.241 -13.619
  371    HA   VAL  50           HA       VAL  50  14.521 -24.424 -13.330
  372    HB   VAL  50           HB       VAL  50  14.765 -23.422 -15.590
  373   HG11  VAL  50          HG11      VAL  50  16.421 -21.758 -14.905
  374   HG12  VAL  50          HG12      VAL  50  15.414 -22.225 -13.528
  375   HG13  VAL  50          HG13      VAL  50  17.069 -22.855 -13.670
  376   HG21  VAL  50          HG21      VAL  50  16.934 -23.378 -16.709
  377   HG22  VAL  50          HG22      VAL  50  17.623 -24.502 -15.533
  378   HG23  VAL  50          HG23      VAL  50  16.338 -25.035 -16.649
  379    H    MET  51           H        MET  51  15.943 -27.049 -15.239
  380    HA   MET  51           HA       MET  51  13.465 -27.693 -16.602
  381    HB2  MET  51           HB2      MET  51  15.772 -28.255 -17.430
  382    HB3  MET  51           HB3      MET  51  15.915 -29.446 -16.128
  383    HG2  MET  51           HG2      MET  51  13.885 -30.607 -17.030
  384    HG3  MET  51           HG3      MET  51  13.818 -29.436 -18.345
  385    HE1  MET  51           HE1      MET  51  15.448 -29.355 -20.376
  386    HE2  MET  51           HE2      MET  51  16.852 -29.087 -19.314
  387    HE3  MET  51           HE3      MET  51  16.901 -30.363 -20.547
  388    H    SER  52           H        SER  52  15.101 -28.764 -13.600
  389    HA   SER  52           HA       SER  52  13.333 -30.914 -12.981
  390    HB2  SER  52           HB2      SER  52  14.987 -29.123 -11.163
  391    HB3  SER  52           HB3      SER  52  14.269 -30.675 -10.708
  392    HG   SER  52           HG       SER  52  16.289 -30.192 -12.676
  393    H    ALA  53           H        ALA  53  13.294 -27.422 -12.092
  394    HA   ALA  53           HA       ALA  53  11.004 -27.546 -10.429
  395    HB1  ALA  53           HB1      ALA  53  12.594 -25.670 -10.413
  396    HB2  ALA  53           HB2      ALA  53  12.154 -25.251 -12.086
  397    HB3  ALA  53           HB3      ALA  53  10.961 -25.078 -10.788
  398    H    LEU  54           H        LEU  54  11.319 -27.447 -13.936
  399    HA   LEU  54           HA       LEU  54   8.759 -26.350 -14.557
  400    HB2  LEU  54           HB2      LEU  54  10.810 -26.569 -16.051
  401    HB3  LEU  54           HB3      LEU  54  10.351 -28.247 -16.322
  402    HG   LEU  54           HG       LEU  54   8.649 -25.791 -16.949
  403   HD11  LEU  54          HD11      LEU  54   9.196 -26.271 -19.303
  404   HD12  LEU  54          HD12      LEU  54  10.665 -25.979 -18.364
  405   HD13  LEU  54          HD13      LEU  54  10.214 -27.641 -18.803
  406   HD21  LEU  54          HD21      LEU  54   8.145 -28.731 -17.577
  407   HD22  LEU  54          HD22      LEU  54   7.109 -27.627 -16.636
  408   HD23  LEU  54          HD23      LEU  54   7.296 -27.383 -18.364
  409    H    THR  55           H        THR  55   6.969 -27.231 -13.716
  410    HA   THR  55           HA       THR  55   6.226 -30.023 -14.147
  411    HB   THR  55           HB       THR  55   5.637 -30.183 -11.678
  412    HG1  THR  55           HG1      THR  55   7.470 -28.017 -11.488
  413   HG21  THR  55          HG21      THR  55   7.626 -31.367 -12.636
  414   HG22  THR  55          HG22      THR  55   8.638 -30.012 -12.086
  415   HG23  THR  55          HG23      THR  55   7.740 -30.992 -10.913
  416    H    ASP  56           H        ASP  56   3.855 -30.132 -12.948
  417    HA   ASP  56           HA       ASP  56   2.447 -27.622 -13.628
  418    HB2  ASP  56           HB2      ASP  56   0.684 -28.802 -14.542
  419    HB3  ASP  56           HB3      ASP  56   2.088 -29.693 -15.123
  420    H    LYS  57           H        LYS  57   3.605 -28.609 -11.103
  421    HA   LYS  57           HA       LYS  57   1.265 -28.291  -9.311
  422    HB2  LYS  57           HB2      LYS  57   1.961 -30.116  -7.971
  423    HB3  LYS  57           HB3      LYS  57   1.929 -30.677  -9.646
  424    HG2  LYS  57           HG2      LYS  57   4.375 -30.463  -9.791
  425    HG3  LYS  57           HG3      LYS  57   4.452 -29.882  -8.122
  426    HD2  LYS  57           HD2      LYS  57   3.325 -32.598  -8.908
  427    HD3  LYS  57           HD3      LYS  57   5.018 -32.316  -8.482
  428    HE2  LYS  57           HE2      LYS  57   4.323 -31.444  -6.254
  429    HE3  LYS  57           HE3      LYS  57   2.632 -31.777  -6.643
  430    HZ1  LYS  57           HZ1      LYS  57   4.745 -33.857  -6.579
  431    HZ2  LYS  57           HZ2      LYS  57   3.767 -33.546  -5.321
  432    HZ3  LYS  57           HZ3      LYS  57   3.137 -34.113  -6.729
  433    H    ALA  58           H        ALA  58   2.287 -28.108  -6.926
  434    HA   ALA  58           HA       ALA  58   4.835 -26.719  -6.733
  435    HB1  ALA  58           HB1      ALA  58   3.253 -24.862  -7.457
  436    HB2  ALA  58           HB2      ALA  58   2.253 -25.213  -6.048
  437    HB3  ALA  58           HB3      ALA  58   3.917 -24.630  -5.829
  438    H    ILE  59           H        ILE  59   5.046 -25.977  -4.334
  439    HA   ILE  59           HA       ILE  59   3.455 -27.614  -2.484
  440    HB   ILE  59           HB       ILE  59   5.332 -28.613  -1.456
  441   HG12  ILE  59          HG12      ILE  59   7.222 -27.310  -3.447
  442   HG13  ILE  59          HG13      ILE  59   7.003 -26.786  -1.771
  443   HG21  ILE  59          HG21      ILE  59   6.050 -30.256  -3.063
  444   HG22  ILE  59          HG22      ILE  59   4.413 -29.794  -3.481
  445   HG23  ILE  59          HG23      ILE  59   5.769 -29.141  -4.413
  446   HD11  ILE  59          HD11      ILE  59   8.941 -28.177  -1.824
  447   HD12  ILE  59          HD12      ILE  59   7.637 -29.069  -0.994
  448   HD13  ILE  59          HD13      ILE  59   8.071 -29.475  -2.666
  449    H    VAL  60           H        VAL  60   3.825 -26.825  -0.202
  450    HA   VAL  60           HA       VAL  60   4.319 -23.897  -0.223
  451    HB   VAL  60           HB       VAL  60   3.275 -25.783   1.900
  452   HG11  VAL  60          HG11      VAL  60   4.290 -23.756   2.913
  453   HG12  VAL  60          HG12      VAL  60   3.300 -22.726   1.852
  454   HG13  VAL  60          HG13      VAL  60   2.540 -23.738   3.100
  455   HG21  VAL  60          HG21      VAL  60   1.713 -23.822   0.172
  456   HG22  VAL  60          HG22      VAL  60   1.653 -25.600   0.060
  457   HG23  VAL  60          HG23      VAL  60   1.062 -24.794   1.508
  458    H    LYS  61           H        LYS  61   6.090 -23.033   0.852
  459    HA   LYS  61           HA       LYS  61   8.113 -24.843   2.071
  460    HB2  LYS  61           HB2      LYS  61   8.268 -24.318  -0.554
  461    HB3  LYS  61           HB3      LYS  61   8.869 -22.760   0.004
  462    HG2  LYS  61           HG2      LYS  61  10.577 -24.225   1.407
  463    HG3  LYS  61           HG3      LYS  61  10.045 -25.541   0.348
  464    HD2  LYS  61           HD2      LYS  61  10.639 -24.005  -1.627
  465    HD3  LYS  61           HD3      LYS  61  11.354 -22.902  -0.436
  466    HE2  LYS  61           HE2      LYS  61  12.734 -24.964   0.332
  467    HE3  LYS  61           HE3      LYS  61  12.161 -25.735  -1.163
  468    HZ1  LYS  61           HZ1      LYS  61  14.283 -24.687  -1.532
  469    HZ2  LYS  61           HZ2      LYS  61  13.156 -23.830  -2.378
  470    HZ3  LYS  61           HZ3      LYS  61  13.751 -23.245  -0.955
  471    H    LYS  62           H        LYS  62   9.960 -23.362   2.973
  472    HA   LYS  62           HA       LYS  62   8.964 -20.706   3.848
  473    HB2  LYS  62           HB2      LYS  62   8.747 -22.377   5.693
  474    HB3  LYS  62           HB3      LYS  62  10.455 -22.775   5.536
  475    HG2  LYS  62           HG2      LYS  62  11.053 -20.460   6.215
  476    HG3  LYS  62           HG3      LYS  62   9.328 -20.055   6.347
  477    HD2  LYS  62           HD2      LYS  62   9.033 -21.727   8.119
  478    HD3  LYS  62           HD3      LYS  62  10.726 -22.242   7.949
  479    HE2  LYS  62           HE2      LYS  62  11.486 -19.971   8.599
  480    HE3  LYS  62           HE3      LYS  62   9.804 -19.451   8.771
  481    HZ1  LYS  62           HZ1      LYS  62  10.801 -20.069  10.898
  482    HZ2  LYS  62           HZ2      LYS  62   9.534 -21.049  10.574
  483    HZ3  LYS  62           HZ3      LYS  62  11.073 -21.590  10.384
  484    H    GLU  63           H        GLU  63  10.633 -19.118   3.854
  485    HA   GLU  63           HA       GLU  63  13.398 -19.852   3.223
  486    HB2  GLU  63           HB2      GLU  63  11.535 -18.379   1.309
  487    HB3  GLU  63           HB3      GLU  63  13.274 -18.125   1.261
  488    HG2  GLU  63           HG2      GLU  63  11.840 -20.748   0.728
  489    HG3  GLU  63           HG3      GLU  63  12.540 -19.670  -0.462
  490    H    LEU  64           H        LEU  64  14.777 -17.908   3.383
  491    HA   LEU  64           HA       LEU  64  13.852 -15.933   5.305
  492    HB2  LEU  64           HB2      LEU  64  16.260 -16.722   5.064
  493    HB3  LEU  64           HB3      LEU  64  16.300 -15.952   3.477
  494    HG   LEU  64           HG       LEU  64  15.757 -13.738   4.663
  495   HD11  LEU  64          HD11      LEU  64  16.568 -15.331   7.141
  496   HD12  LEU  64          HD12      LEU  64  16.251 -13.584   7.058
  497   HD13  LEU  64          HD13      LEU  64  14.933 -14.735   6.821
  498   HD21  LEU  64          HD21      LEU  64  18.357 -15.172   5.345
  499   HD22  LEU  64          HD22      LEU  64  18.006 -14.270   3.856
  500   HD23  LEU  64          HD23      LEU  64  18.101 -13.415   5.404
  501    H    LEU  65           H        LEU  65  13.020 -13.846   4.796
  502    HA   LEU  65           HA       LEU  65  11.567 -13.617   2.428
  503    HB2  LEU  65           HB2      LEU  65  11.112 -12.383   4.497
  504    HB3  LEU  65           HB3      LEU  65  12.540 -11.387   4.274
  505    HG   LEU  65           HG       LEU  65  10.480 -11.482   2.044
  506   HD11  LEU  65          HD11      LEU  65   9.110 -11.091   4.060
  507   HD12  LEU  65          HD12      LEU  65  10.229  -9.834   4.618
  508   HD13  LEU  65          HD13      LEU  65   9.258  -9.585   3.156
  509   HD21  LEU  65          HD21      LEU  65  11.115  -9.104   1.797
  510   HD22  LEU  65          HD22      LEU  65  12.215  -9.218   3.182
  511   HD23  LEU  65          HD23      LEU  65  12.543 -10.095   1.679
  512    H    TYR  66           H        TYR  66  14.765 -12.188   3.150
  513    HA   TYR  66           HA       TYR  66  14.869 -10.609   0.830
  514    HB2  TYR  66           HB2      TYR  66  17.203 -11.720   2.424
  515    HB3  TYR  66           HB3      TYR  66  17.219 -10.295   1.388
  516    HD1  TYR  66           HD1      TYR  66  15.320  -8.465   1.976
  517    HD2  TYR  66           HD2      TYR  66  16.897 -11.374   4.749
  518    HE1  TYR  66           HE1      TYR  66  14.508  -7.095   3.870
  519    HE2  TYR  66           HE2      TYR  66  16.093 -10.014   6.646
  520    HH   TYR  66           HH       TYR  66  14.989  -8.067   7.302
  521    H    ASP  67           H        ASP  67  15.423 -14.068   1.127
  522    HA   ASP  67           HA       ASP  67  16.931 -14.289  -1.382
  523    HB2  ASP  67           HB2      ASP  67  17.132 -16.043   0.323
  524    HB3  ASP  67           HB3      ASP  67  15.397 -16.361   0.236
  525    H    VAL  68           H        VAL  68  13.526 -14.642  -0.267
  526    HA   VAL  68           HA       VAL  68  12.469 -15.408  -2.798
  527    HB   VAL  68           HB       VAL  68  10.998 -14.011  -0.496
  528   HG11  VAL  68          HG11      VAL  68  10.009 -15.981  -2.625
  529   HG12  VAL  68          HG12      VAL  68   9.035 -15.211  -1.357
  530   HG13  VAL  68          HG13      VAL  68   9.723 -14.231  -2.656
  531   HG21  VAL  68          HG21      VAL  68  11.734 -16.945  -0.952
  532   HG22  VAL  68          HG22      VAL  68  12.087 -15.940   0.472
  533   HG23  VAL  68          HG23      VAL  68  10.431 -16.438   0.128
  534    H    ALA  69           H        ALA  69  12.874 -12.220  -1.228
  535    HA   ALA  69           HA       ALA  69  11.700 -10.684  -3.347
  536    HB1  ALA  69           HB1      ALA  69  11.904  -9.918  -0.993
  537    HB2  ALA  69           HB2      ALA  69  13.673  -9.850  -1.186
  538    HB3  ALA  69           HB3      ALA  69  12.630  -8.780  -2.146
  539    H    GLY  70           H        GLY  70  14.539 -12.470  -3.491
  540    HA2  GLY  70           HA2      GLY  70  16.569 -10.785  -4.219
  541    HA3  GLY  70           HA3      GLY  70  16.396 -12.457  -4.765
  542    H    SER  71           H        SER  71  13.865 -11.760  -6.354
  543    HA   SER  71           HA       SER  71  15.052 -11.271  -8.839
  544    HB2  SER  71           HB2      SER  71  12.182 -10.682  -8.031
  545    HB3  SER  71           HB3      SER  71  12.788 -11.020  -9.661
  546    HG   SER  71           HG       SER  71  13.378 -13.113  -8.908
  547    H    ASP  72           H        ASP  72  13.496  -8.940  -6.599
  548    HA   ASP  72           HA       ASP  72  14.902  -6.707  -7.724
  549    HB2  ASP  72           HB2      ASP  72  13.163  -6.985  -9.468
  550    HB3  ASP  72           HB3      ASP  72  11.933  -6.833  -8.221
  551    H    LYS  73           H        LYS  73  11.802  -7.240  -6.061
  552    HA   LYS  73           HA       LYS  73  12.659  -5.709  -3.703
  553    HB2  LYS  73           HB2      LYS  73  10.760  -4.730  -5.870
  554    HB3  LYS  73           HB3      LYS  73  10.710  -4.041  -4.233
  555    HG2  LYS  73           HG2      LYS  73  12.813  -3.802  -6.342
  556    HG3  LYS  73           HG3      LYS  73  11.798  -2.534  -5.715
  557    HD2  LYS  73           HD2      LYS  73  13.030  -2.357  -3.698
  558    HD3  LYS  73           HD3      LYS  73  13.854  -3.896  -3.928
  559    HE2  LYS  73           HE2      LYS  73  14.224  -1.429  -5.687
  560    HE3  LYS  73           HE3      LYS  73  15.325  -1.971  -4.415
  561    HZ1  LYS  73           HZ1      LYS  73  16.173  -2.769  -6.463
  562    HZ2  LYS  73           HZ2      LYS  73  15.525  -4.087  -5.711
  563    HZ3  LYS  73           HZ3      LYS  73  14.739  -3.407  -6.952
  564    H    TYR  74           H        TYR  74  10.533  -5.300  -2.366
  565    HA   TYR  74           HA       TYR  74   8.298  -7.078  -2.912
  566    HB2  TYR  74           HB2      TYR  74   8.424  -8.300  -0.876
  567    HB3  TYR  74           HB3      TYR  74   9.968  -8.490  -1.667
  568    HD1  TYR  74           HD1      TYR  74  11.974  -7.042  -0.804
  569    HD2  TYR  74           HD2      TYR  74   8.221  -7.281   1.310
  570    HE1  TYR  74           HE1      TYR  74  13.061  -6.138   1.221
  571    HE2  TYR  74           HE2      TYR  74   9.296  -6.385   3.340
  572    HH   TYR  74           HH       TYR  74  11.282  -5.612   4.300
  573    H    GLN  75           H        GLN  75   6.581  -6.644  -1.148
  574    HA   GLN  75           HA       GLN  75   7.018  -4.474   0.651
  575    HB2  GLN  75           HB2      GLN  75   5.142  -3.003  -0.201
  576    HB3  GLN  75           HB3      GLN  75   6.654  -2.977  -1.069
  577    HG2  GLN  75           HG2      GLN  75   5.386  -4.780  -2.633
  578    HG3  GLN  75           HG3      GLN  75   3.965  -3.994  -1.961
  579   HE21  GLN  75          HE22      GLN  75   4.226  -3.868  -4.650
  580   HE22  GLN  75          HE21      GLN  75   4.821  -2.295  -5.169
  581    H    VAL  76           H        VAL  76   5.275  -4.235   2.189
  582    HA   VAL  76           HA       VAL  76   3.674  -6.648   2.538
  583    HB   VAL  76           HB       VAL  76   4.633  -5.634   4.480
  584   HG11  VAL  76          HG11      VAL  76   4.019  -3.436   5.375
  585   HG12  VAL  76          HG12      VAL  76   4.841  -3.269   3.820
  586   HG13  VAL  76          HG13      VAL  76   3.078  -3.078   3.918
  587   HG21  VAL  76          HG21      VAL  76   2.400  -6.690   4.703
  588   HG22  VAL  76          HG22      VAL  76   2.728  -5.475   5.943
  589   HG23  VAL  76          HG23      VAL  76   1.645  -5.090   4.589
  590    H    ASN  77           H        ASN  77   1.566  -6.855   1.921
  591    HA   ASN  77           HA       ASN  77   0.005  -4.514   1.083
  592    HB2  ASN  77           HB2      ASN  77   1.231  -5.004  -0.997
  593    HB3  ASN  77           HB3      ASN  77   0.661  -6.674  -0.952
  594   HD21  ASN  77          HD22      ASN  77  -0.109  -5.819  -3.197
  595   HD22  ASN  77          HD21      ASN  77  -1.762  -5.204  -3.225
  596    H    ASN  78           H        ASN  78  -0.907  -5.374   3.094
  597    HA   ASN  78           HA       ASN  78  -2.375  -7.880   3.104
  598    HB2  ASN  78           HB2      ASN  78  -2.634  -5.328   4.753
  599    HB3  ASN  78           HB3      ASN  78  -3.622  -6.761   5.015
  600   HD21  ASN  78          HD22      ASN  78  -1.469  -5.370   6.719
  601   HD22  ASN  78          HD21      ASN  78  -0.524  -6.754   7.242
  602    H    LYS  79           H        LYS  79  -4.104  -8.257   1.793
  603    HA   LYS  79           HA       LYS  79  -5.669  -6.192   0.482
  604    HB2  LYS  79           HB2      LYS  79  -6.036  -9.156   1.028
  605    HB3  LYS  79           HB3      LYS  79  -7.414  -8.208   0.509
  606    HG2  LYS  79           HG2      LYS  79  -6.477  -9.290  -1.364
  607    HG3  LYS  79           HG3      LYS  79  -6.298  -7.545  -1.550
  608    HD2  LYS  79           HD2      LYS  79  -3.933  -7.636  -1.319
  609    HD3  LYS  79           HD3      LYS  79  -4.003  -9.172  -0.443
  610    HE2  LYS  79           HE2      LYS  79  -3.158  -9.644  -2.639
  611    HE3  LYS  79           HE3      LYS  79  -4.766 -10.353  -2.447
  612    HZ1  LYS  79           HZ1      LYS  79  -5.664  -8.492  -3.738
  613    HZ2  LYS  79           HZ2      LYS  79  -4.171  -7.845  -3.924
  614    HZ3  LYS  79           HZ3      LYS  79  -4.534  -9.301  -4.593
  615    H    HIS  80           H        HIS  80  -5.758  -7.666   3.667
  616    HA   HIS  80           HA       HIS  80  -8.508  -6.833   4.179
  617    HB2  HIS  80           HB2      HIS  80  -6.837  -8.119   6.283
  618    HB3  HIS  80           HB3      HIS  80  -8.504  -8.397   5.858
  619    HD2  HIS  80           HD2      HIS  80  -8.594  -9.646   3.119
  620    HE1  HIS  80           HE1      HIS  80  -4.875 -11.626   3.641
  621    HE2  HIS  80           HE2      HIS  80  -6.892 -11.391   2.139
  622    H    ASP  81           H        ASP  81  -6.011  -4.859   4.205
  623    HA   ASP  81           HA       ASP  81  -6.025  -4.020   6.970
  624    HB2  ASP  81           HB2      ASP  81  -4.210  -3.585   5.240
  625    HB3  ASP  81           HB3      ASP  81  -5.326  -2.462   4.450
  626    H    ASP  82           H        ASP  82  -8.580  -4.286   5.525
  627    HA   ASP  82           HA       ASP  82  -9.880  -1.860   6.664
  628    HB2  ASP  82           HB2      ASP  82  -9.717  -1.551   4.188
  629    HB3  ASP  82           HB3      ASP  82 -10.605  -3.059   3.965
  630    H    LYS  83           H        LYS  83  -9.482  -5.070   6.859
  631    HA   LYS  83           HA       LYS  83 -12.275  -5.752   7.642
  632    HB2  LYS  83           HB2      LYS  83 -10.459  -7.411   5.851
  633    HB3  LYS  83           HB3      LYS  83 -12.025  -7.910   6.447
  634    HG2  LYS  83           HG2      LYS  83 -11.493  -5.620   4.506
  635    HG3  LYS  83           HG3      LYS  83 -12.040  -7.226   4.070
  636    HD2  LYS  83           HD2      LYS  83 -13.621  -5.278   5.811
  637    HD3  LYS  83           HD3      LYS  83 -13.873  -5.558   4.085
  638    HE2  LYS  83           HE2      LYS  83 -14.374  -7.955   4.552
  639    HE3  LYS  83           HE3      LYS  83 -14.163  -7.660   6.282
  640    HZ1  LYS  83           HZ1      LYS  83 -16.230  -6.392   4.579
  641    HZ2  LYS  83           HZ2      LYS  83 -16.487  -7.586   5.654
  642    HZ3  LYS  83           HZ3      LYS  83 -16.033  -6.111   6.178
  643    H    TYR  84           H        TYR  84  -8.813  -6.325   7.868
  644    HA   TYR  84           HA       TYR  84  -7.456  -7.029   9.364
  645    HB2  TYR  84           HB2      TYR  84  -9.768  -6.826  11.288
  646    HB3  TYR  84           HB3      TYR  84  -8.048  -6.728  11.695
  647    HD1  TYR  84           HD1      TYR  84  -6.701  -5.015  10.089
  648    HD2  TYR  84           HD2      TYR  84 -10.910  -4.756  10.989
  649    HE1  TYR  84           HE1      TYR  84  -6.727  -2.659   9.288
  650    HE2  TYR  84           HE2      TYR  84 -10.957  -2.421  10.189
  651    HH   TYR  84           HH       TYR  84  -9.711  -0.634   9.364
  652    H    SER  85           H        SER  85  -6.533  -8.626  10.542
  653    HA   SER  85           HA       SER  85  -6.933 -11.191   9.721
  654    HB2  SER  85           HB2      SER  85  -5.750 -10.454  12.412
  655    HB3  SER  85           HB3      SER  85  -5.313 -11.808  11.360
  656    HG   SER  85           HG       SER  85  -4.545 -10.275   9.842
  657    HA   PRO  86           HA       PRO  86 -10.454 -12.337  12.437
  658    HB2  PRO  86           HB2      PRO  86 -11.259 -14.594  11.140
  659    HB3  PRO  86           HB3      PRO  86 -11.640 -12.948  10.539
  660    HG2  PRO  86           HG2      PRO  86  -9.459 -14.824   9.619
  661    HG3  PRO  86           HG3      PRO  86 -10.547 -13.800   8.634
  662    HD2  PRO  86           HD2      PRO  86  -7.955 -13.090   9.323
  663    HD3  PRO  86           HD3      PRO  86  -9.255 -11.909   8.999
  664    H    LEU  87           H        LEU  87  -7.580 -13.951  11.580
  665    HA   LEU  87           HA       LEU  87  -7.775 -16.037  13.673
  666    HB2  LEU  87           HB2      LEU  87  -5.711 -15.440  11.514
  667    HB3  LEU  87           HB3      LEU  87  -5.698 -16.849  12.579
  668    HG   LEU  87           HG       LEU  87  -7.813 -16.193  10.465
  669   HD11  LEU  87          HD11      LEU  87  -6.835 -18.094   9.230
  670   HD12  LEU  87          HD12      LEU  87  -5.627 -16.835   9.519
  671   HD13  LEU  87          HD13      LEU  87  -5.610 -18.312  10.502
  672   HD21  LEU  87          HD21      LEU  87  -8.841 -17.485  12.280
  673   HD22  LEU  87          HD22      LEU  87  -8.614 -18.530  10.878
  674   HD23  LEU  87          HD23      LEU  87  -7.500 -18.653  12.259
  675    HA   PRO  88           HA       PRO  88  -5.145 -13.292  16.231
  676    HB2  PRO  88           HB2      PRO  88  -4.175 -15.928  17.317
  677    HB3  PRO  88           HB3      PRO  88  -4.702 -14.472  18.210
  678    HG2  PRO  88           HG2      PRO  88  -6.322 -16.655  18.015
  679    HG3  PRO  88           HG3      PRO  88  -6.993 -14.998  17.888
  680    HD2  PRO  88           HD2      PRO  88  -6.350 -16.932  15.654
  681    HD3  PRO  88           HD3      PRO  88  -7.772 -15.866  15.864
  682    H    CYS  89           H        CYS  89  -2.913 -12.704  15.997
  683    HA   CYS  89           HA       CYS  89  -1.712 -13.369  13.615
  684    HB2  CYS  89           HB2      CYS  89  -0.269 -12.384  16.114
  685    HB3  CYS  89           HB3      CYS  89   0.274 -12.201  14.437
  686    HG   CYS  89           HG       CYS  89  -0.653  -9.924  15.456
  687    H    SER  90           H        SER  90  -0.950 -14.816  16.830
  688    HA   SER  90           HA       SER  90   1.150 -16.463  16.073
  689    HB2  SER  90           HB2      SER  90  -1.050 -17.248  18.016
  690    HB3  SER  90           HB3      SER  90   0.659 -17.709  18.060
  691    HG   SER  90           HG       SER  90   0.179 -16.018  19.544
  692    H    LYS  91           H        LYS  91  -2.355 -17.103  15.748
  693    HA   LYS  91           HA       LYS  91  -2.054 -19.815  14.911
  694    HB2  LYS  91           HB2      LYS  91  -4.409 -17.943  14.513
  695    HB3  LYS  91           HB3      LYS  91  -4.372 -19.681  14.184
  696    HG2  LYS  91           HG2      LYS  91  -3.487 -19.851  16.690
  697    HG3  LYS  91           HG3      LYS  91  -4.239 -18.255  16.849
  698    HD2  LYS  91           HD2      LYS  91  -6.385 -19.261  15.994
  699    HD3  LYS  91           HD3      LYS  91  -5.554 -20.836  15.927
  700    HE2  LYS  91           HE2      LYS  91  -5.090 -20.692  18.366
  701    HE3  LYS  91           HE3      LYS  91  -5.907 -19.129  18.441
  702    HZ1  LYS  91           HZ1      LYS  91  -7.205 -21.698  17.726
  703    HZ2  LYS  91           HZ2      LYS  91  -7.358 -20.921  19.147
  704    HZ3  LYS  91           HZ3      LYS  91  -7.967 -20.252  17.795
  705    H    ILE  92           H        ILE  92  -2.043 -16.696  13.106
  706    HA   ILE  92           HA       ILE  92  -2.221 -17.877  10.511
  707    HB   ILE  92           HB       ILE  92  -0.563 -15.432  11.264
  708   HG12  ILE  92          HG12      ILE  92  -3.481 -15.434  10.366
  709   HG13  ILE  92          HG13      ILE  92  -2.983 -15.256  12.048
  710   HG21  ILE  92          HG21      ILE  92  -0.104 -16.312   9.017
  711   HG22  ILE  92          HG22      ILE  92  -1.838 -16.323   8.638
  712   HG23  ILE  92          HG23      ILE  92  -0.976 -14.792   8.881
  713   HD11  ILE  92          HD11      ILE  92  -2.371 -13.320   9.803
  714   HD12  ILE  92          HD12      ILE  92  -3.371 -13.065  11.239
  715   HD13  ILE  92          HD13      ILE  92  -1.613 -13.247  11.401
  716    H    ILE  93           H        ILE  93   0.628 -17.159  12.618
  717    HA   ILE  93           HA       ILE  93   2.564 -18.355  10.926
  718    HB   ILE  93           HB       ILE  93   2.663 -18.246  13.972
  719   HG12  ILE  93          HG12      ILE  93   2.119 -16.009  13.336
  720   HG13  ILE  93          HG13      ILE  93   3.807 -16.072  13.779
  721   HG21  ILE  93          HG21      ILE  93   5.113 -18.048  13.582
  722   HG22  ILE  93          HG22      ILE  93   4.421 -19.577  13.027
  723   HG23  ILE  93          HG23      ILE  93   4.828 -18.318  11.843
  724   HD11  ILE  93          HD11      ILE  93   4.446 -16.064  11.383
  725   HD12  ILE  93          HD12      ILE  93   2.726 -15.979  10.921
  726   HD13  ILE  93          HD13      ILE  93   3.470 -14.658  11.824
  727    H    GLN  94           H        GLN  94   0.675 -19.736  13.664
  728    HA   GLN  94           HA       GLN  94   1.912 -22.232  13.628
  729    HB2  GLN  94           HB2      GLN  94   0.638 -22.746  15.332
  730    HB3  GLN  94           HB3      GLN  94   0.115 -21.080  15.266
  731    HG2  GLN  94           HG2      GLN  94  -1.781 -22.436  15.611
  732    HG3  GLN  94           HG3      GLN  94  -1.882 -21.748  14.001
  733   HE21  GLN  94          HE22      GLN  94  -0.256 -24.798  15.262
  734   HE22  GLN  94          HE21      GLN  94  -1.008 -25.815  14.035
  735    H    ARG  95           H        ARG  95  -0.959 -21.136  11.769
  736    HA   ARG  95           HA       ARG  95  -1.336 -23.682  10.451
  737    HB2  ARG  95           HB2      ARG  95  -2.173 -20.843   9.730
  738    HB3  ARG  95           HB3      ARG  95  -2.290 -22.162   8.573
  739    HG2  ARG  95           HG2      ARG  95  -4.396 -22.143   9.387
  740    HG3  ARG  95           HG3      ARG  95  -3.666 -23.451  10.314
  741    HD2  ARG  95           HD2      ARG  95  -3.461 -21.935  12.272
  742    HD3  ARG  95           HD3      ARG  95  -4.028 -20.586  11.286
  743    HE   ARG  95           HE       ARG  95  -6.183 -21.273  11.441
  744   HH11  ARG  95          HH21      ARG  95  -4.151 -23.896  12.764
  745   HH12  ARG  95          HH22      ARG  95  -5.502 -24.801  13.350
  746   HH21  ARG  95          HH11      ARG  95  -7.946 -22.474  12.264
  747   HH22  ARG  95          HH12      ARG  95  -7.689 -23.966  13.081
  748    H    ALA  96           H        ALA  96   0.467 -20.702   9.455
  749    HA   ALA  96           HA       ALA  96   1.330 -21.540   6.991
  750    HB1  ALA  96           HB1      ALA  96   3.022 -19.946   8.969
  751    HB2  ALA  96           HB2      ALA  96   3.111 -19.908   7.202
  752    HB3  ALA  96           HB3      ALA  96   1.684 -19.261   8.027
  753    H    GLU  97           H        GLU  97   2.994 -22.134  10.102
  754    HA   GLU  97           HA       GLU  97   5.059 -23.668   8.796
  755    HB2  GLU  97           HB2      GLU  97   4.429 -23.335  11.751
  756    HB3  GLU  97           HB3      GLU  97   5.889 -24.084  11.071
  757    HG2  GLU  97           HG2      GLU  97   6.215 -21.890   9.749
  758    HG3  GLU  97           HG3      GLU  97   5.010 -21.176  10.813
  759    H    GLU  98           H        GLU  98   1.847 -24.613   9.921
  760    HA   GLU  98           HA       GLU  98   2.471 -27.413  10.117
  761    HB2  GLU  98           HB2      GLU  98   0.294 -25.743  10.756
  762    HB3  GLU  98           HB3      GLU  98  -0.293 -26.612   9.344
  763    HG2  GLU  98           HG2      GLU  98   0.193 -28.734  10.412
  764    HG3  GLU  98           HG3      GLU  98   1.030 -27.903  11.741
  765    H    LEU  99           H        LEU  99   1.860 -25.062   7.629
  766    HA   LEU  99           HA       LEU  99   1.067 -27.027   5.597
  767    HB2  LEU  99           HB2      LEU  99   1.326 -24.000   5.539
  768    HB3  LEU  99           HB3      LEU  99   0.689 -24.977   4.225
  769    HG   LEU  99           HG       LEU  99  -0.550 -25.122   7.005
  770   HD11  LEU  99          HD11      LEU  99  -1.258 -23.134   4.806
  771   HD12  LEU  99          HD12      LEU  99  -2.185 -23.424   6.298
  772   HD13  LEU  99          HD13      LEU  99  -0.556 -22.752   6.399
  773   HD21  LEU  99          HD21      LEU  99  -1.197 -26.880   5.442
  774   HD22  LEU  99          HD22      LEU  99  -2.552 -25.804   5.778
  775   HD23  LEU  99          HD23      LEU  99  -1.678 -25.666   4.234
  776    H    VAL 100           H        VAL 100   3.935 -25.083   6.441
  777    HA   VAL 100           HA       VAL 100   5.444 -25.357   4.094
  778    HB   VAL 100           HB       VAL 100   6.250 -25.500   7.024
  779   HG11  VAL 100          HG11      VAL 100   8.083 -25.215   4.593
  780   HG12  VAL 100          HG12      VAL 100   8.564 -24.955   6.284
  781   HG13  VAL 100          HG13      VAL 100   8.072 -26.561   5.753
  782   HG21  VAL 100          HG21      VAL 100   6.893 -23.193   6.742
  783   HG22  VAL 100          HG22      VAL 100   6.596 -23.258   4.983
  784   HG23  VAL 100          HG23      VAL 100   5.256 -23.336   6.117
  785    H    GLY 101           H        GLY 101   6.102 -27.042   2.924
  786    HA2  GLY 101           HA2      GLY 101   7.080 -29.094   2.523
  787    HA3  GLY 101           HA3      GLY 101   6.703 -29.642   4.161
  788    H    GLN 102           H        GLN 102   3.804 -28.269   3.042
  789    HA   GLN 102           HA       GLN 102   2.781 -30.943   2.283
  790    HB2  GLN 102           HB2      GLN 102   1.350 -28.298   2.813
  791    HB3  GLN 102           HB3      GLN 102   0.574 -29.740   2.160
  792    HG2  GLN 102           HG2      GLN 102   1.394 -31.064   4.094
  793    HG3  GLN 102           HG3      GLN 102   2.026 -29.578   4.827
  794   HE21  GLN 102          HE22      GLN 102   0.661 -29.139   6.594
  795   HE22  GLN 102          HE21      GLN 102  -1.086 -29.210   6.510
  796    H    GLU 103           H        GLU 103   1.580 -31.197   0.360
  797    HA   GLU 103           HA       GLU 103   2.892 -29.764  -1.899
  798    HB2  GLU 103           HB2      GLU 103   1.585 -32.518  -1.786
  799    HB3  GLU 103           HB3      GLU 103   2.337 -31.780  -3.205
  800    HG2  GLU 103           HG2      GLU 103   4.528 -31.750  -1.996
  801    HG3  GLU 103           HG3      GLU 103   3.765 -32.545  -0.619
  802    H    VAL 104           H        VAL 104   1.632 -29.089  -3.679
  803    HA   VAL 104           HA       VAL 104  -1.293 -29.470  -3.535
  804    HB   VAL 104           HB       VAL 104  -1.525 -27.224  -4.481
  805   HG11  VAL 104          HG11      VAL 104  -0.300 -27.185  -1.697
  806   HG12  VAL 104          HG12      VAL 104  -1.424 -25.991  -2.374
  807   HG13  VAL 104          HG13      VAL 104  -1.972 -27.648  -2.081
  808   HG21  VAL 104          HG21      VAL 104   1.298 -26.628  -3.576
  809   HG22  VAL 104          HG22      VAL 104   0.760 -26.802  -5.271
  810   HG23  VAL 104          HG23      VAL 104   0.130 -25.496  -4.271
  811    H    LEU 105           H        LEU 105  -2.183 -28.921  -5.850
  812    HA   LEU 105           HA       LEU 105  -0.427 -30.399  -7.769
  813    HB2  LEU 105           HB2      LEU 105  -3.408 -30.602  -7.186
  814    HB3  LEU 105           HB3      LEU 105  -2.655 -31.333  -8.583
  815    HG   LEU 105           HG       LEU 105  -2.995 -33.067  -7.106
  816   HD11  LEU 105          HD11      LEU 105  -0.041 -32.403  -6.796
  817   HD12  LEU 105          HD12      LEU 105  -0.799 -34.005  -6.745
  818   HD13  LEU 105          HD13      LEU 105  -0.792 -33.085  -8.258
  819   HD21  LEU 105          HD21      LEU 105  -3.227 -31.728  -4.994
  820   HD22  LEU 105          HD22      LEU 105  -2.361 -33.263  -4.834
  821   HD23  LEU 105          HD23      LEU 105  -1.452 -31.750  -4.854
  822    H    TYR 106           H        TYR 106  -1.218 -27.419  -7.366
  823    HA   TYR 106           HA       TYR 106  -1.860 -26.895 -10.233
  824    HB2  TYR 106           HB2      TYR 106  -2.582 -24.654  -9.487
  825    HB3  TYR 106           HB3      TYR 106  -3.590 -25.956  -8.899
  826    HD1  TYR 106           HD1      TYR 106  -0.724 -23.738  -7.819
  827    HD2  TYR 106           HD2      TYR 106  -4.140 -26.089  -6.610
  828    HE1  TYR 106           HE1      TYR 106  -0.494 -22.882  -5.511
  829    HE2  TYR 106           HE2      TYR 106  -3.935 -25.207  -4.305
  830    HH   TYR 106           HH       TYR 106  -1.401 -22.842  -3.365
  831    H    LYS 107           H        LYS 107  -0.513 -25.447 -11.343
  832    HA   LYS 107           HA       LYS 107   2.188 -25.420 -10.657
  833    HB2  LYS 107           HB2      LYS 107   0.670 -25.131 -12.904
  834    HB3  LYS 107           HB3      LYS 107   0.952 -23.417 -12.565
  835    HG2  LYS 107           HG2      LYS 107   3.422 -23.939 -12.472
  836    HG3  LYS 107           HG3      LYS 107   3.020 -25.614 -12.859
  837    HD2  LYS 107           HD2      LYS 107   2.446 -23.203 -14.647
  838    HD3  LYS 107           HD3      LYS 107   3.865 -24.249 -14.802
  839    HE2  LYS 107           HE2      LYS 107   2.422 -26.199 -15.252
  840    HE3  LYS 107           HE3      LYS 107   0.976 -25.188 -15.088
  841    HZ1  LYS 107           HZ1      LYS 107   1.739 -23.909 -17.006
  842    HZ2  LYS 107           HZ2      LYS 107   3.068 -24.849 -17.160
  843    HZ3  LYS 107           HZ3      LYS 107   1.587 -25.481 -17.400
  844    H    LEU 108           H        LEU 108   3.583 -23.497 -10.487
  845    HA   LEU 108           HA       LEU 108   2.731 -21.459  -8.615
  846    HB2  LEU 108           HB2      LEU 108   5.117 -21.550 -10.546
  847    HB3  LEU 108           HB3      LEU 108   4.825 -20.290  -9.370
  848    HG   LEU 108           HG       LEU 108   6.516 -21.624  -8.492
  849   HD11  LEU 108          HD11      LEU 108   5.612 -22.417  -6.383
  850   HD12  LEU 108          HD12      LEU 108   4.822 -20.906  -6.852
  851   HD13  LEU 108          HD13      LEU 108   3.973 -22.459  -7.048
  852   HD21  LEU 108          HD21      LEU 108   4.822 -24.125  -8.867
  853   HD22  LEU 108          HD22      LEU 108   6.220 -23.645  -9.850
  854   HD23  LEU 108          HD23      LEU 108   6.416 -24.016  -8.136
  855    H    THR 109           H        THR 109   1.473 -19.735  -9.117
  856    HA   THR 109           HA       THR 109   1.984 -18.258 -11.569
  857    HB   THR 109           HB       THR 109  -0.420 -17.878 -11.987
  858    HG1  THR 109           HG1      THR 109  -1.893 -19.393 -11.026
  859   HG21  THR 109          HG21      THR 109  -1.018 -19.934 -13.100
  860   HG22  THR 109          HG22      THR 109   0.727 -19.694 -13.287
  861   HG23  THR 109          HG23      THR 109   0.111 -20.876 -12.105
  862    H    SER 110           H        SER 110   1.367 -15.985 -11.192
  863    HA   SER 110           HA       SER 110   1.749 -14.967  -8.622
  864    HB2  SER 110           HB2      SER 110   0.121 -13.819 -10.941
  865    HB3  SER 110           HB3      SER 110   0.805 -12.907  -9.590
  866    HG   SER 110           HG       SER 110   2.838 -13.431 -10.255
  867    H    GLU 111           H        GLU 111  -1.327 -15.806 -10.308
  868    HA   GLU 111           HA       GLU 111  -2.995 -14.831  -8.207
  869    HB2  GLU 111           HB2      GLU 111  -4.803 -15.986  -9.385
  870    HB3  GLU 111           HB3      GLU 111  -3.825 -14.965 -10.443
  871    HG2  GLU 111           HG2      GLU 111  -2.657 -16.989 -11.298
  872    HG3  GLU 111           HG3      GLU 111  -3.674 -18.003 -10.265
  873    H    ASN 112           H        ASN 112  -1.655 -18.121  -8.852
  874    HA   ASN 112           HA       ASN 112  -3.253 -19.346  -6.774
  875    HB2  ASN 112           HB2      ASN 112  -0.694 -20.200  -8.181
  876    HB3  ASN 112           HB3      ASN 112  -1.383 -21.118  -6.857
  877   HD21  ASN 112          HD22      ASN 112  -1.078 -21.991  -9.674
  878   HD22  ASN 112          HD21      ASN 112  -2.701 -22.360 -10.224
  879    H    CYS 113           H        CYS 113  -0.015 -17.783  -6.755
  880    HA   CYS 113           HA       CYS 113   0.506 -18.469  -3.999
  881    HB2  CYS 113           HB2      CYS 113   1.508 -16.037  -5.557
  882    HB3  CYS 113           HB3      CYS 113   2.166 -16.687  -4.045
  883    HG   CYS 113           HG       CYS 113   2.031 -18.042  -7.060
  884    H    GLU 114           H        GLU 114  -0.966 -15.596  -5.610
  885    HA   GLU 114           HA       GLU 114  -1.424 -14.039  -3.330
  886    HB2  GLU 114           HB2      GLU 114  -1.597 -13.437  -5.796
  887    HB3  GLU 114           HB3      GLU 114  -3.191 -14.170  -5.823
  888    HG2  GLU 114           HG2      GLU 114  -4.053 -12.554  -4.268
  889    HG3  GLU 114           HG3      GLU 114  -2.448 -11.965  -3.864
  890    H    HIS 115           H        HIS 115  -3.483 -16.513  -4.871
  891    HA   HIS 115           HA       HIS 115  -5.762 -16.326  -3.220
  892    HB2  HIS 115           HB2      HIS 115  -5.784 -17.541  -5.319
  893    HB3  HIS 115           HB3      HIS 115  -4.519 -18.636  -4.772
  894    HD2  HIS 115           HD2      HIS 115  -5.186 -20.439  -2.805
  895    HE1  HIS 115           HE1      HIS 115  -9.401 -20.092  -3.269
  896    HE2  HIS 115           HE2      HIS 115  -7.536 -21.342  -2.060
  897    H    PHE 116           H        PHE 116  -2.905 -18.568  -2.952
  898    HA   PHE 116           HA       PHE 116  -3.919 -19.819  -0.647
  899    HB2  PHE 116           HB2      PHE 116  -2.187 -20.915  -1.909
  900    HB3  PHE 116           HB3      PHE 116  -1.136 -19.509  -1.835
  901    HD1  PHE 116           HD1      PHE 116  -2.389 -22.435   0.100
  902    HD2  PHE 116           HD2      PHE 116   0.273 -19.042   0.099
  903    HE1  PHE 116           HE1      PHE 116  -1.246 -23.316   2.120
  904    HE2  PHE 116           HE2      PHE 116   1.364 -19.880   2.156
  905    HZ   PHE 116           HZ       PHE 116   0.630 -22.050   3.150
  906    H    VAL 117           H        VAL 117  -1.511 -17.139  -0.831
  907    HA   VAL 117           HA       VAL 117  -1.200 -17.101   1.994
  908    HB   VAL 117           HB       VAL 117  -0.158 -14.967   1.813
  909   HG11  VAL 117          HG11      VAL 117   1.628 -15.491   0.253
  910   HG12  VAL 117          HG12      VAL 117   1.141 -16.924   1.169
  911   HG13  VAL 117          HG13      VAL 117   0.644 -16.727  -0.529
  912   HG21  VAL 117          HG21      VAL 117  -0.002 -13.648  -0.202
  913   HG22  VAL 117          HG22      VAL 117  -0.970 -14.819  -1.120
  914   HG23  VAL 117          HG23      VAL 117  -1.707 -13.852   0.166
  915    H    ASN 118           H        ASN 118  -3.741 -15.619  -0.015
  916    HA   ASN 118           HA       ASN 118  -4.819 -14.057   2.201
  917    HB2  ASN 118           HB2      ASN 118  -5.863 -14.796  -0.557
  918    HB3  ASN 118           HB3      ASN 118  -6.912 -14.080   0.676
  919   HD21  ASN 118          HD22      ASN 118  -3.871 -13.441  -1.138
  920   HD22  ASN 118          HD21      ASN 118  -3.837 -11.731  -0.727
  921    H    GLU 119           H        GLU 119  -5.522 -17.266   0.785
  922    HA   GLU 119           HA       GLU 119  -7.573 -18.064   2.497
  923    HB2  GLU 119           HB2      GLU 119  -6.161 -19.221   0.443
  924    HB3  GLU 119           HB3      GLU 119  -5.433 -20.061   1.816
  925    HG2  GLU 119           HG2      GLU 119  -7.828 -20.568   2.570
  926    HG3  GLU 119           HG3      GLU 119  -8.341 -19.885   1.017
  927    H    LEU 120           H        LEU 120  -4.027 -18.201   3.012
  928    HA   LEU 120           HA       LEU 120  -4.173 -19.405   5.561
  929    HB2  LEU 120           HB2      LEU 120  -2.307 -19.466   3.978
  930    HB3  LEU 120           HB3      LEU 120  -2.044 -17.733   4.171
  931    HG   LEU 120           HG       LEU 120  -1.256 -17.993   6.415
  932   HD11  LEU 120          HD11      LEU 120  -1.073 -20.266   7.466
  933   HD12  LEU 120          HD12      LEU 120  -2.724 -19.664   7.362
  934   HD13  LEU 120          HD13      LEU 120  -2.171 -20.882   6.198
  935   HD21  LEU 120          HD21      LEU 120   0.209 -18.593   4.430
  936   HD22  LEU 120          HD22      LEU 120   0.711 -19.366   5.947
  937   HD23  LEU 120          HD23      LEU 120  -0.176 -20.295   4.723
  938    H    ARG 121           H        ARG 121  -3.809 -15.875   4.640
  939    HA   ARG 121           HA       ARG 121  -3.577 -15.127   7.402
  940    HB2  ARG 121           HB2      ARG 121  -2.724 -13.859   5.373
  941    HB3  ARG 121           HB3      ARG 121  -4.386 -13.334   5.075
  942    HG2  ARG 121           HG2      ARG 121  -4.452 -12.212   7.279
  943    HG3  ARG 121           HG3      ARG 121  -2.868 -12.901   7.683
  944    HD2  ARG 121           HD2      ARG 121  -1.877 -11.645   5.770
  945    HD3  ARG 121           HD3      ARG 121  -3.433 -10.844   5.519
  946    HE   ARG 121           HE       ARG 121  -1.499 -10.505   7.704
  947   HH11  ARG 121          HH21      ARG 121  -4.787  -9.700   6.572
  948   HH12  ARG 121          HH22      ARG 121  -4.923  -8.306   7.589
  949   HH21  ARG 121          HH11      ARG 121  -1.539  -8.352   8.611
  950   HH22  ARG 121          HH12      ARG 121  -3.071  -7.576   8.832
  951    H    TYR 122           H        TYR 122  -6.403 -15.340   5.218
  952    HA   TYR 122           HA       TYR 122  -8.074 -14.194   7.404
  953    HB2  TYR 122           HB2      TYR 122  -7.574 -12.902   5.231
  954    HB3  TYR 122           HB3      TYR 122  -8.621 -14.054   4.424
  955    HD1  TYR 122           HD2      TYR 122  -8.410 -11.191   6.744
  956    HD2  TYR 122           HD1      TYR 122 -11.080 -13.980   4.822
  957    HE1  TYR 122           HE2      TYR 122 -10.348  -9.795   7.434
  958    HE2  TYR 122           HE1      TYR 122 -13.016 -12.595   5.484
  959    HH   TYR 122           HH       TYR 122 -13.738 -10.718   6.636
  960    H    GLY 123           H        GLY 123  -7.512 -17.168   5.889
  961    HA2  GLY 123           HA2      GLY 123  -8.560 -19.077   6.759
  962    HA3  GLY 123           HA3      GLY 123 -10.053 -18.171   7.042
  963    H    VAL 124           H        VAL 124  -9.843 -16.921   4.267
  964    HA   VAL 124           HA       VAL 124  -9.901 -19.101   2.377
  965    HB   VAL 124           HB       VAL 124 -12.157 -19.254   3.318
  966   HG11  VAL 124          HG11      VAL 124 -12.523 -16.931   4.076
  967   HG12  VAL 124          HG12      VAL 124 -12.648 -16.402   2.383
  968   HG13  VAL 124          HG13      VAL 124 -13.843 -17.523   3.062
  969   HG21  VAL 124          HG21      VAL 124 -11.787 -19.795   0.949
  970   HG22  VAL 124          HG22      VAL 124 -13.423 -19.194   1.258
  971   HG23  VAL 124          HG23      VAL 124 -12.223 -18.129   0.500
  972    H    ALA 125           H        ALA 125  -9.268 -18.254   0.339
  973    HA   ALA 125           HA       ALA 125  -8.171 -15.718   0.130
  974    HB1  ALA 125           HB1      ALA 125  -7.715 -17.597  -1.419
  975    HB2  ALA 125           HB2      ALA 125  -9.346 -17.401  -2.110
  976    HB3  ALA 125           HB3      ALA 125  -8.149 -16.105  -2.280
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1  20.445  -6.267   1.314
    2    H2   MET   1           H2       MET   1  20.517  -5.986   2.917
    3    H3   MET   1           H3       MET   1  20.300  -7.520   2.361
    4    HA   MET   1           HA       MET   1  18.191  -6.931   1.410
    5    HB2  MET   1           HB2      MET   1  16.871  -6.834   3.421
    6    HB3  MET   1           HB3      MET   1  18.232  -7.913   3.645
    7    HG2  MET   1           HG2      MET   1  18.011  -6.785   5.665
    8    HG3  MET   1           HG3      MET   1  19.398  -6.024   4.905
    9    HE1  MET   1           HE1      MET   1  19.387  -4.004   6.542
   10    HE2  MET   1           HE2      MET   1  17.930  -3.097   6.997
   11    HE3  MET   1           HE3      MET   1  18.078  -4.816   7.430
   12    H    ARG   2           H        ARG   2  16.270  -5.291   1.801
   13    HA   ARG   2           HA       ARG   2  17.333  -2.506   1.529
   14    HB2  ARG   2           HB2      ARG   2  15.640  -2.123  -0.241
   15    HB3  ARG   2           HB3      ARG   2  16.924  -3.237  -0.702
   16    HG2  ARG   2           HG2      ARG   2  15.502  -5.152  -0.492
   17    HG3  ARG   2           HG3      ARG   2  14.229  -4.228   0.314
   18    HD2  ARG   2           HD2      ARG   2  15.143  -3.694  -2.539
   19    HD3  ARG   2           HD3      ARG   2  13.845  -4.812  -2.141
   20    HE   ARG   2           HE       ARG   2  13.747  -1.917  -2.160
   21   HH11  ARG   2          HH21      ARG   2  12.245  -4.754  -0.595
   22   HH12  ARG   2          HH22      ARG   2  10.691  -4.009  -0.454
   23   HH21  ARG   2          HH11      ARG   2  11.681  -0.911  -1.831
   24   HH22  ARG   2          HH12      ARG   2  10.385  -1.804  -1.127
   25    H    ALA   3           H        ALA   3  14.871  -4.559   2.958
   26    HA   ALA   3           HA       ALA   3  13.968  -2.242   4.501
   27    HB1  ALA   3           HB1      ALA   3  11.577  -2.814   4.161
   28    HB2  ALA   3           HB2      ALA   3  12.349  -2.251   2.668
   29    HB3  ALA   3           HB3      ALA   3  12.036  -3.982   2.905
   30    HA   PRO   4           HA       PRO   4  14.537  -5.935   7.113
   31    HB2  PRO   4           HB2      PRO   4  14.490  -4.623   9.567
   32    HB3  PRO   4           HB3      PRO   4  15.931  -4.840   8.527
   33    HG2  PRO   4           HG2      PRO   4  14.219  -2.412   8.918
   34    HG3  PRO   4           HG3      PRO   4  15.963  -2.512   8.579
   35    HD2  PRO   4           HD2      PRO   4  13.992  -1.934   6.692
   36    HD3  PRO   4           HD3      PRO   4  15.607  -2.582   6.298
   37    H    ILE   5           H        ILE   5  11.892  -3.875   6.876
   38    HA   ILE   5           HA       ILE   5   9.801  -3.735   7.629
   39    HB   ILE   5           HB       ILE   5   8.434  -5.758   7.398
   40   HG12  ILE   5          HG12      ILE   5  10.973  -7.260   6.645
   41   HG13  ILE   5          HG13      ILE   5  10.116  -7.474   8.173
   42   HG21  ILE   5          HG21      ILE   5   8.736  -5.878   4.993
   43   HG22  ILE   5          HG22      ILE   5   9.086  -4.236   5.519
   44   HG23  ILE   5          HG23      ILE   5  10.422  -5.341   5.128
   45   HD11  ILE   5          HD11      ILE   5   9.435  -9.231   6.696
   46   HD12  ILE   5          HD12      ILE   5   8.059  -8.128   6.888
   47   HD13  ILE   5          HD13      ILE   5   9.034  -8.093   5.401
   48    HA   PRO   6           HA       PRO   6  10.768  -4.859  12.007
   49    HB2  PRO   6           HB2      PRO   6  11.413  -2.460  13.105
   50    HB3  PRO   6           HB3      PRO   6  12.576  -3.384  12.100
   51    HG2  PRO   6           HG2      PRO   6  10.799  -1.083  11.229
   52    HG3  PRO   6           HG3      PRO   6  12.554  -1.304  10.943
   53    HD2  PRO   6           HD2      PRO   6  10.654  -2.016   9.085
   54    HD3  PRO   6           HD3      PRO   6  12.189  -2.900   9.291
   55    H    GLU   7           H        GLU   7   8.807  -2.178  10.753
   56    HA   GLU   7           HA       GLU   7   7.089  -2.076  13.099
   57    HB2  GLU   7           HB2      GLU   7   6.956  -0.647  10.431
   58    HB3  GLU   7           HB3      GLU   7   5.713  -0.506  11.682
   59    HG2  GLU   7           HG2      GLU   7   7.441   0.271  13.295
   60    HG3  GLU   7           HG3      GLU   7   8.666   0.170  12.029
   61    HA   PRO   8           HA       PRO   8   4.165  -4.639  10.011
   62    HB2  PRO   8           HB2      PRO   8   6.605  -6.008   8.842
   63    HB3  PRO   8           HB3      PRO   8   4.948  -5.926   8.175
   64    HG2  PRO   8           HG2      PRO   8   6.785  -4.175   7.259
   65    HG3  PRO   8           HG3      PRO   8   5.183  -3.543   7.753
   66    HD2  PRO   8           HD2      PRO   8   7.758  -3.513   9.325
   67    HD3  PRO   8           HD3      PRO   8   6.539  -2.227   9.119
   68    H    LYS   9           H        LYS   9   3.685  -7.007  10.362
   69    HA   LYS   9           HA       LYS   9   5.207  -8.108  12.694
   70    HB2  LYS   9           HB2      LYS   9   2.192  -7.855  12.338
   71    HB3  LYS   9           HB3      LYS   9   2.975  -8.847  13.573
   72    HG2  LYS   9           HG2      LYS   9   4.051  -6.839  14.547
   73    HG3  LYS   9           HG3      LYS   9   3.319  -5.827  13.296
   74    HD2  LYS   9           HD2      LYS   9   2.049  -5.606  15.330
   75    HD3  LYS   9           HD3      LYS   9   1.059  -6.418  14.109
   76    HE2  LYS   9           HE2      LYS   9   1.536  -8.611  15.170
   77    HE3  LYS   9           HE3      LYS   9   2.588  -7.820  16.353
   78    HZ1  LYS   9           HZ1      LYS   9   0.644  -6.626  17.180
   79    HZ2  LYS   9           HZ2      LYS   9  -0.327  -7.353  16.084
   80    HZ3  LYS   9           HZ3      LYS   9   0.390  -8.231  17.255
   81    HA   PRO  10           HA       PRO  10   5.074 -12.021  10.469
   82    HB2  PRO  10           HB2      PRO  10   4.450 -13.028  13.260
   83    HB3  PRO  10           HB3      PRO  10   5.544 -13.741  12.031
   84    HG2  PRO  10           HG2      PRO  10   6.589 -12.284  14.042
   85    HG3  PRO  10           HG3      PRO  10   7.169 -12.000  12.365
   86    HD2  PRO  10           HD2      PRO  10   5.149 -10.395  13.952
   87    HD3  PRO  10           HD3      PRO  10   6.499  -9.827  12.916
   88    H    GLY  11           H        GLY  11   3.396 -13.221   9.551
   89    HA2  GLY  11           HA2      GLY  11   1.209 -13.959   9.232
   90    HA3  GLY  11           HA3      GLY  11   0.619 -12.916  10.536
   91    H    ASP  12           H        ASP  12   2.645 -10.896   8.801
   92    HA   ASP  12           HA       ASP  12   0.444  -9.723   7.280
   93    HB2  ASP  12           HB2      ASP  12   3.367  -8.978   7.660
   94    HB3  ASP  12           HB3      ASP  12   2.331  -8.168   6.495
   95    H    LEU  13           H        LEU  13   0.157  -9.723   5.120
   96    HA   LEU  13           HA       LEU  13   1.441 -11.739   3.445
   97    HB2  LEU  13           HB2      LEU  13  -0.263  -9.322   2.667
   98    HB3  LEU  13           HB3      LEU  13   0.286 -10.609   1.608
   99    HG   LEU  13           HG       LEU  13  -1.945 -10.693   3.637
  100   HD11  LEU  13          HD11      LEU  13  -2.383 -10.039   1.301
  101   HD12  LEU  13          HD12      LEU  13  -1.732 -11.590   0.750
  102   HD13  LEU  13          HD13      LEU  13  -3.193 -11.544   1.770
  103   HD21  LEU  13          HD21      LEU  13  -0.741 -12.677   4.235
  104   HD22  LEU  13          HD22      LEU  13  -2.013 -13.206   3.122
  105   HD23  LEU  13          HD23      LEU  13  -0.340 -13.011   2.544
  106    H    ILE  14           H        ILE  14   3.170 -11.458   2.126
  107    HA   ILE  14           HA       ILE  14   4.311  -8.724   1.760
  108    HB   ILE  14           HB       ILE  14   5.706 -11.435   1.694
  109   HG12  ILE  14          HG12      ILE  14   5.239 -10.873   4.008
  110   HG13  ILE  14          HG13      ILE  14   6.956 -10.776   3.669
  111   HG21  ILE  14          HG21      ILE  14   6.824  -8.628   1.274
  112   HG22  ILE  14          HG22      ILE  14   7.800 -10.109   1.439
  113   HG23  ILE  14          HG23      ILE  14   6.706  -9.920   0.074
  114   HD11  ILE  14          HD11      ILE  14   5.078  -8.386   3.888
  115   HD12  ILE  14          HD12      ILE  14   6.210  -8.939   5.130
  116   HD13  ILE  14          HD13      ILE  14   6.832  -8.299   3.601
  117    H    GLU  15           H        GLU  15   4.229  -8.062  -0.310
  118    HA   GLU  15           HA       GLU  15   3.701 -10.081  -2.436
  119    HB2  GLU  15           HB2      GLU  15   2.896  -8.397  -3.841
  120    HB3  GLU  15           HB3      GLU  15   2.054  -8.199  -2.301
  121    HG2  GLU  15           HG2      GLU  15   3.589  -6.304  -1.734
  122    HG3  GLU  15           HG3      GLU  15   4.413  -6.543  -3.276
  123    H    ILE  16           H        ILE  16   5.132 -10.065  -4.126
  124    HA   ILE  16           HA       ILE  16   7.845  -8.938  -3.682
  125    HB   ILE  16           HB       ILE  16   6.959 -11.636  -4.785
  126   HG12  ILE  16          HG12      ILE  16   6.568 -11.616  -2.342
  127   HG13  ILE  16          HG13      ILE  16   7.747 -12.794  -2.885
  128   HG21  ILE  16          HG21      ILE  16   8.987 -11.034  -5.857
  129   HG22  ILE  16          HG22      ILE  16   9.699 -10.435  -4.352
  130   HG23  ILE  16          HG23      ILE  16   9.432 -12.184  -4.592
  131   HD11  ILE  16          HD11      ILE  16   9.588 -11.392  -2.106
  132   HD12  ILE  16          HD12      ILE  16   8.434 -10.129  -1.617
  133   HD13  ILE  16          HD13      ILE  16   8.437 -11.703  -0.796
  134    H    PHE  17           H        PHE  17   8.425  -7.722  -5.432
  135    HA   PHE  17           HA       PHE  17   6.854  -7.766  -7.953
  136    HB2  PHE  17           HB2      PHE  17   9.275  -6.205  -6.976
  137    HB3  PHE  17           HB3      PHE  17   8.787  -6.224  -8.658
  138    HD1  PHE  17           HD1      PHE  17   5.816  -6.242  -6.532
  139    HD2  PHE  17           HD2      PHE  17   8.893  -3.733  -8.238
  140    HE1  PHE  17           HE1      PHE  17   4.323  -4.293  -6.372
  141    HE2  PHE  17           HE2      PHE  17   7.402  -1.762  -7.994
  142    HZ   PHE  17           HZ       PHE  17   5.109  -2.041  -7.073
  143    H    ARG  18           H        ARG  18   7.211  -9.432  -9.329
  144    HA   ARG  18           HA       ARG  18   9.848 -10.799  -9.418
  145    HB2  ARG  18           HB2      ARG  18   7.082 -11.312 -10.579
  146    HB3  ARG  18           HB3      ARG  18   8.467 -12.241 -11.093
  147    HG2  ARG  18           HG2      ARG  18   7.856 -12.031  -8.124
  148    HG3  ARG  18           HG3      ARG  18   6.921 -13.106  -9.163
  149    HD2  ARG  18           HD2      ARG  18   8.869 -14.289  -9.880
  150    HD3  ARG  18           HD3      ARG  18   9.951 -13.163  -9.060
  151    HE   ARG  18           HE       ARG  18   8.158 -15.195  -7.808
  152   HH11  ARG  18          HH21      ARG  18  11.076 -13.117  -7.459
  153   HH12  ARG  18          HH22      ARG  18  11.308 -13.608  -5.802
  154   HH21  ARG  18          HH11      ARG  18   8.640 -15.833  -5.624
  155   HH22  ARG  18          HH12      ARG  18  10.023 -15.140  -4.829
  156    HA   PRO  19           HA       PRO  19  11.464  -8.636 -12.713
  157    HB2  PRO  19           HB2      PRO  19  11.104 -10.869 -14.718
  158    HB3  PRO  19           HB3      PRO  19  12.559  -9.874 -14.391
  159    HG2  PRO  19           HG2      PRO  19  12.377 -12.353 -13.340
  160    HG3  PRO  19           HG3      PRO  19  12.933 -11.002 -12.297
  161    HD2  PRO  19           HD2      PRO  19  10.170 -12.218 -12.493
  162    HD3  PRO  19           HD3      PRO  19  11.106 -11.826 -11.026
  163    H    PHE  20           H        PHE  20   8.503 -10.227 -13.877
  164    HA   PHE  20           HA       PHE  20   7.673  -7.703 -15.218
  165    HB2  PHE  20           HB2      PHE  20   7.477 -10.476 -16.467
  166    HB3  PHE  20           HB3      PHE  20   6.916  -8.975 -17.181
  167    HD1  PHE  20           HD1      PHE  20   8.649  -7.135 -17.725
  168    HD2  PHE  20           HD2      PHE  20   9.705 -11.233 -16.882
  169    HE1  PHE  20           HE1      PHE  20  10.847  -6.800 -18.830
  170    HE2  PHE  20           HE2      PHE  20  11.903 -10.891 -17.982
  171    HZ   PHE  20           HZ       PHE  20  12.479  -8.674 -18.957
  172    H    TYR  21           H        TYR  21   6.885  -9.359 -12.663
  173    HA   TYR  21           HA       TYR  21   4.021  -9.266 -12.927
  174    HB2  TYR  21           HB2      TYR  21   3.547 -11.631 -12.639
  175    HB3  TYR  21           HB3      TYR  21   4.355 -11.336 -14.145
  176    HD1  TYR  21           HD2      TYR  21   6.785 -12.009 -14.457
  177    HD2  TYR  21           HD1      TYR  21   4.482 -13.142 -11.003
  178    HE1  TYR  21           HE2      TYR  21   8.344 -13.885 -14.039
  179    HE2  TYR  21           HE1      TYR  21   5.997 -15.029 -10.575
  180    HH   TYR  21           HH       TYR  21   8.832 -15.734 -12.699
  181    H    ARG  22           H        ARG  22   3.708 -11.268 -10.668
  182    HA   ARG  22           HA       ARG  22   5.289 -10.110  -8.556
  183    HB2  ARG  22           HB2      ARG  22   3.384  -9.389  -7.146
  184    HB3  ARG  22           HB3      ARG  22   3.681  -8.385  -8.549
  185    HG2  ARG  22           HG2      ARG  22   1.358  -8.492  -8.285
  186    HG3  ARG  22           HG3      ARG  22   1.716  -9.485  -9.698
  187    HD2  ARG  22           HD2      ARG  22   1.382 -11.529  -8.375
  188    HD3  ARG  22           HD3      ARG  22   1.344 -10.596  -6.887
  189    HE   ARG  22           HE       ARG  22  -0.900 -10.362  -7.152
  190   HH11  ARG  22          HH21      ARG  22   0.302 -10.634 -10.501
  191   HH12  ARG  22          HH22      ARG  22  -1.277 -10.895 -11.140
  192   HH21  ARG  22          HH11      ARG  22  -2.816 -10.787  -7.920
  193   HH22  ARG  22          HH12      ARG  22  -3.157 -10.909  -9.636
  194    H    HIS  23           H        HIS  23   5.043 -11.249  -6.559
  195    HA   HIS  23           HA       HIS  23   3.788 -13.934  -6.724
  196    HB2  HIS  23           HB2      HIS  23   6.067 -14.189  -7.488
  197    HB3  HIS  23           HB3      HIS  23   6.711 -13.344  -6.087
  198    HD2  HIS  23           HD2      HIS  23   6.802 -14.790  -3.743
  199    HE1  HIS  23           HE1      HIS  23   6.184 -18.558  -5.615
  200    HE2  HIS  23           HE2      HIS  23   6.944 -17.405  -3.483
  201    H    TRP  24           H        TRP  24   3.951 -14.872  -4.316
  202    HA   TRP  24           HA       TRP  24   3.630 -12.648  -2.373
  203    HB2  TRP  24           HB2      TRP  24   1.569 -14.782  -3.035
  204    HB3  TRP  24           HB3      TRP  24   1.558 -13.806  -1.590
  205    HD1  TRP  24           HD1      TRP  24   0.881 -13.506  -5.344
  206    HE1  TRP  24           HE1      TRP  24  -0.592 -11.441  -5.684
  207    HE3  TRP  24           HE3      TRP  24   1.236 -11.500  -0.704
  208    HZ2  TRP  24           HZ2      TRP  24  -1.325  -9.062  -4.213
  209    HZ3  TRP  24           HZ3      TRP  24   0.107  -9.318  -0.163
  210    HH2  TRP  24           HH2      TRP  24  -1.197  -8.136  -1.897
  211    H    ALA  25           H        ALA  25   3.942 -13.173  -0.288
  212    HA   ALA  25           HA       ALA  25   4.540 -15.908   0.576
  213    HB1  ALA  25           HB1      ALA  25   6.736 -15.298   1.413
  214    HB2  ALA  25           HB2      ALA  25   6.713 -14.929  -0.308
  215    HB3  ALA  25           HB3      ALA  25   6.549 -13.613   0.878
  216    H    ILE  26           H        ILE  26   4.903 -15.725   3.102
  217    HA   ILE  26           HA       ILE  26   3.453 -13.369   4.203
  218    HB   ILE  26           HB       ILE  26   2.169 -15.616   3.779
  219   HG12  ILE  26          HG12      ILE  26   1.910 -14.308   6.513
  220   HG13  ILE  26          HG13      ILE  26   1.388 -13.557   4.993
  221   HG21  ILE  26          HG21      ILE  26   2.219 -17.261   5.547
  222   HG22  ILE  26          HG22      ILE  26   3.824 -17.069   4.859
  223   HG23  ILE  26          HG23      ILE  26   3.437 -16.349   6.441
  224   HD11  ILE  26          HD11      ILE  26  -0.536 -14.637   5.932
  225   HD12  ILE  26          HD12      ILE  26  -0.015 -15.567   4.505
  226   HD13  ILE  26          HD13      ILE  26   0.353 -16.162   6.137
  227    H    TYR  27           H        TYR  27   4.319 -12.510   6.008
  228    HA   TYR  27           HA       TYR  27   7.037 -13.077   6.683
  229    HB2  TYR  27           HB2      TYR  27   5.822 -10.881   6.677
  230    HB3  TYR  27           HB3      TYR  27   4.890 -11.415   8.062
  231    HD1  TYR  27           HD1      TYR  27   8.406 -12.429   8.406
  232    HD2  TYR  27           HD2      TYR  27   5.686  -9.082   8.725
  233    HE1  TYR  27           HE1      TYR  27   9.998 -11.262   9.855
  234    HE2  TYR  27           HE2      TYR  27   7.322  -7.899  10.162
  235    HH   TYR  27           HH       TYR  27   9.435  -7.954  11.111
  236    H    VAL  28           H        VAL  28   7.830 -14.516   8.189
  237    HA   VAL  28           HA       VAL  28   6.142 -15.223  10.503
  238    HB   VAL  28           HB       VAL  28   6.708 -17.557  10.423
  239   HG11  VAL  28          HG11      VAL  28   5.504 -16.843   7.725
  240   HG12  VAL  28          HG12      VAL  28   5.275 -18.334   8.661
  241   HG13  VAL  28          HG13      VAL  28   4.618 -16.807   9.261
  242   HG21  VAL  28          HG21      VAL  28   8.867 -17.433   9.194
  243   HG22  VAL  28          HG22      VAL  28   7.781 -18.667   8.565
  244   HG23  VAL  28          HG23      VAL  28   7.973 -17.130   7.691
  245    H    GLY  29           H        GLY  29   7.584 -16.279  12.254
  246    HA2  GLY  29           HA2      GLY  29   9.387 -16.151  13.655
  247    HA3  GLY  29           HA3      GLY  29  10.383 -16.249  12.198
  248    H    ASP  30           H        ASP  30  11.755 -14.568  11.966
  249    HA   ASP  30           HA       ASP  30  10.852 -11.811  12.552
  250    HB2  ASP  30           HB2      ASP  30  12.009 -12.726  14.577
  251    HB3  ASP  30           HB3      ASP  30  13.444 -13.026  13.598
  252    H    GLY  31           H        GLY  31  11.294 -13.410  10.060
  253    HA2  GLY  31           HA2      GLY  31  12.273 -11.578   8.346
  254    HA3  GLY  31           HA3      GLY  31  13.775 -12.368   8.853
  255    H    TYR  32           H        TYR  32  11.983 -14.962   9.116
  256    HA   TYR  32           HA       TYR  32  12.387 -15.936   6.393
  257    HB2  TYR  32           HB2      TYR  32  11.140 -17.118   8.895
  258    HB3  TYR  32           HB3      TYR  32  11.130 -17.941   7.341
  259    HD1  TYR  32           HD1      TYR  32  13.201 -18.762   6.292
  260    HD2  TYR  32           HD2      TYR  32  13.235 -16.935  10.201
  261    HE1  TYR  32           HE1      TYR  32  15.470 -19.660   6.680
  262    HE2  TYR  32           HE2      TYR  32  15.508 -17.829  10.601
  263    HH   TYR  32           HH       TYR  32  17.261 -19.813   8.166
  264    H    VAL  33           H        VAL  33  10.606 -16.839   5.138
  265    HA   VAL  33           HA       VAL  33   7.934 -15.825   5.801
  266    HB   VAL  33           HB       VAL  33   7.511 -15.428   3.378
  267   HG11  VAL  33          HG11      VAL  33   9.523 -13.587   4.679
  268   HG12  VAL  33          HG12      VAL  33   8.575 -13.194   3.222
  269   HG13  VAL  33          HG13      VAL  33   7.754 -13.501   4.747
  270   HG21  VAL  33          HG21      VAL  33   9.409 -16.646   2.385
  271   HG22  VAL  33          HG22      VAL  33   9.369 -14.967   1.830
  272   HG23  VAL  33          HG23      VAL  33  10.541 -15.468   3.069
  273    H    VAL  34           H        VAL  34   6.263 -17.135   4.887
  274    HA   VAL  34           HA       VAL  34   7.144 -19.824   3.931
  275    HB   VAL  34           HB       VAL  34   4.641 -18.964   5.424
  276   HG11  VAL  34          HG11      VAL  34   3.873 -20.448   3.676
  277   HG12  VAL  34          HG12      VAL  34   5.182 -21.605   4.025
  278   HG13  VAL  34          HG13      VAL  34   3.882 -21.328   5.203
  279   HG21  VAL  34          HG21      VAL  34   6.548 -19.417   6.844
  280   HG22  VAL  34          HG22      VAL  34   5.382 -20.734   7.013
  281   HG23  VAL  34          HG23      VAL  34   6.845 -20.956   6.028
  282    H    HIS  35           H        HIS  35   6.435 -20.388   1.864
  283    HA   HIS  35           HA       HIS  35   4.505 -18.695   0.486
  284    HB2  HIS  35           HB2      HIS  35   5.874 -17.674  -1.076
  285    HB3  HIS  35           HB3      HIS  35   6.732 -17.426   0.431
  286    HD2  HIS  35           HD2      HIS  35   8.498 -20.044   0.664
  287    HE1  HIS  35           HE1      HIS  35   9.871 -19.139  -3.262
  288    HE2  HIS  35           HE2      HIS  35  10.394 -20.418  -1.140
  289    H    LEU  36           H        LEU  36   4.411 -19.336  -1.898
  290    HA   LEU  36           HA       LEU  36   4.214 -22.272  -2.024
  291    HB2  LEU  36           HB2      LEU  36   2.430 -20.312  -2.597
  292    HB3  LEU  36           HB3      LEU  36   3.251 -20.323  -4.140
  293    HG   LEU  36           HG       LEU  36   1.210 -21.636  -4.115
  294   HD11  LEU  36          HD11      LEU  36   3.525 -23.549  -4.428
  295   HD12  LEU  36          HD12      LEU  36   1.928 -23.601  -5.200
  296   HD13  LEU  36          HD13      LEU  36   3.056 -22.302  -5.608
  297   HD21  LEU  36          HD21      LEU  36   2.438 -23.653  -2.224
  298   HD22  LEU  36          HD22      LEU  36   1.434 -22.309  -1.654
  299   HD23  LEU  36          HD23      LEU  36   0.756 -23.494  -2.763
  300    H    ALA  37           H        ALA  37   5.575 -23.458  -3.441
  301    HA   ALA  37           HA       ALA  37   7.434 -21.966  -5.204
  302    HB1  ALA  37           HB1      ALA  37   8.509 -22.128  -2.982
  303    HB2  ALA  37           HB2      ALA  37   8.239 -23.889  -2.982
  304    HB3  ALA  37           HB3      ALA  37   9.342 -23.156  -4.165
  305    HA   PRO  38           HA       PRO  38   6.904 -25.474  -7.895
  306    HB2  PRO  38           HB2      PRO  38   9.896 -25.378  -8.299
  307    HB3  PRO  38           HB3      PRO  38   8.594 -25.473  -9.531
  308    HG2  PRO  38           HG2      PRO  38   9.846 -23.122  -9.030
  309    HG3  PRO  38           HG3      PRO  38   8.066 -23.167  -9.253
  310    HD2  PRO  38           HD2      PRO  38   9.633 -23.050  -6.665
  311    HD3  PRO  38           HD3      PRO  38   8.168 -22.146  -7.156
  312    HA   PRO  39           HA       PRO  39   7.854 -29.098  -5.498
  313    HB2  PRO  39           HB2      PRO  39   8.309 -30.608  -8.062
  314    HB3  PRO  39           HB3      PRO  39   7.236 -31.009  -6.688
  315    HG2  PRO  39           HG2      PRO  39   6.219 -30.001  -8.995
  316    HG3  PRO  39           HG3      PRO  39   5.602 -29.444  -7.405
  317    HD2  PRO  39           HD2      PRO  39   7.632 -28.094  -9.208
  318    HD3  PRO  39           HD3      PRO  39   6.219 -27.383  -8.384
  319    H    SER  40           H        SER  40  10.017 -28.641  -8.338
  320    HA   SER  40           HA       SER  40  12.188 -30.093  -7.123
  321    HB2  SER  40           HB2      SER  40  12.274 -28.380  -9.619
  322    HB3  SER  40           HB3      SER  40  13.288 -29.770  -9.204
  323    HG   SER  40           HG       SER  40  11.715 -30.470 -10.624
  324    H    GLU  41           H        GLU  41  11.164 -27.223  -6.050
  325    HA   GLU  41           HA       GLU  41  13.635 -25.700  -6.151
  326    HB2  GLU  41           HB2      GLU  41  11.370 -24.659  -6.061
  327    HB3  GLU  41           HB3      GLU  41  11.150 -25.303  -4.437
  328    HG2  GLU  41           HG2      GLU  41  11.811 -22.965  -4.334
  329    HG3  GLU  41           HG3      GLU  41  13.088 -23.954  -3.647
  330    H    VAL  42           H        VAL  42  14.792 -27.733  -5.502
  331    HA   VAL  42           HA       VAL  42  15.143 -27.854  -2.530
  332    HB   VAL  42           HB       VAL  42  15.856 -30.255  -2.990
  333   HG11  VAL  42          HG11      VAL  42  12.907 -29.550  -3.415
  334   HG12  VAL  42          HG12      VAL  42  13.537 -31.107  -2.834
  335   HG13  VAL  42          HG13      VAL  42  13.732 -29.652  -1.844
  336   HG21  VAL  42          HG21      VAL  42  14.196 -30.017  -5.526
  337   HG22  VAL  42          HG22      VAL  42  15.971 -30.134  -5.486
  338   HG23  VAL  42          HG23      VAL  42  14.977 -31.457  -4.868
  339    H    ALA  43           H        ALA  43  16.678 -27.450  -5.630
  340    HA   ALA  43           HA       ALA  43  19.340 -27.584  -4.330
  341    HB1  ALA  43           HB1      ALA  43  18.730 -29.786  -5.299
  342    HB2  ALA  43           HB2      ALA  43  18.530 -29.022  -6.892
  343    HB3  ALA  43           HB3      ALA  43  20.131 -29.053  -6.118
  344    H    GLY  44           H        GLY  44  17.480 -25.387  -5.477
  345    HA2  GLY  44           HA2      GLY  44  17.646 -23.470  -6.725
  346    HA3  GLY  44           HA3      GLY  44  19.400 -23.667  -6.588
  347    H    ALA  45           H        ALA  45  19.850 -23.003  -8.712
  348    HA   ALA  45           HA       ALA  45  18.615 -24.017 -11.048
  349    HB1  ALA  45           HB1      ALA  45  21.437 -22.932 -10.677
  350    HB2  ALA  45           HB2      ALA  45  20.572 -23.095 -12.220
  351    HB3  ALA  45           HB3      ALA  45  19.977 -21.960 -10.995
  352    H    GLY  46           H        GLY  46  20.696 -25.682  -8.850
  353    HA2  GLY  46           HA2      GLY  46  21.960 -27.500 -10.713
  354    HA3  GLY  46           HA3      GLY  46  21.824 -27.656  -8.953
  355    H    ALA  47           H        ALA  47  18.698 -27.229  -9.438
  356    HA   ALA  47           HA       ALA  47  17.982 -30.029  -9.558
  357    HB1  ALA  47           HB1      ALA  47  16.276 -27.505  -9.782
  358    HB2  ALA  47           HB2      ALA  47  15.671 -29.158  -9.564
  359    HB3  ALA  47           HB3      ALA  47  16.637 -28.396  -8.288
  360    H    ALA  48           H        ALA  48  18.343 -31.088 -11.421
  361    HA   ALA  48           HA       ALA  48  18.671 -31.573 -13.595
  362    HB1  ALA  48           HB1      ALA  48  16.374 -32.214 -13.283
  363    HB2  ALA  48           HB2      ALA  48  15.811 -30.572 -13.644
  364    HB3  ALA  48           HB3      ALA  48  16.568 -31.560 -14.920
  365    H    SER  49           H        SER  49  16.600 -29.226 -15.072
  366    HA   SER  49           HA       SER  49  18.931 -27.556 -15.887
  367    HB2  SER  49           HB2      SER  49  16.591 -28.463 -17.608
  368    HB3  SER  49           HB3      SER  49  17.994 -27.515 -18.128
  369    HG   SER  49           HG       SER  49  18.199 -29.743 -18.640
  370    H    VAL  50           H        VAL  50  16.994 -27.196 -13.743
  371    HA   VAL  50           HA       VAL  50  15.680 -25.908 -12.704
  372    HB   VAL  50           HB       VAL  50  17.688 -24.521 -12.999
  373   HG11  VAL  50          HG11      VAL  50  17.530 -23.709 -15.290
  374   HG12  VAL  50          HG12      VAL  50  16.015 -22.850 -14.915
  375   HG13  VAL  50          HG13      VAL  50  17.542 -22.361 -14.163
  376   HG21  VAL  50          HG21      VAL  50  15.107 -23.007 -12.456
  377   HG22  VAL  50          HG22      VAL  50  15.971 -24.051 -11.305
  378   HG23  VAL  50          HG23      VAL  50  16.730 -22.564 -11.892
  379    H    MET  51           H        MET  51  15.165 -25.018 -16.118
  380    HA   MET  51           HA       MET  51  12.458 -24.119 -15.787
  381    HB2  MET  51           HB2      MET  51  13.772 -25.487 -18.179
  382    HB3  MET  51           HB3      MET  51  12.248 -24.593 -18.204
  383    HG2  MET  51           HG2      MET  51  14.999 -23.444 -17.598
  384    HG3  MET  51           HG3      MET  51  14.084 -23.242 -19.086
  385    HE1  MET  51           HE1      MET  51  14.180 -19.642 -17.495
  386    HE2  MET  51           HE2      MET  51  15.439 -20.889 -17.362
  387    HE3  MET  51           HE3      MET  51  14.598 -20.636 -18.909
  388    H    SER  52           H        SER  52  13.947 -27.304 -15.828
  389    HA   SER  52           HA       SER  52  11.882 -29.066 -16.248
  390    HB2  SER  52           HB2      SER  52  13.885 -29.299 -14.000
  391    HB3  SER  52           HB3      SER  52  13.285 -30.582 -15.065
  392    HG   SER  52           HG       SER  52  14.510 -29.697 -16.739
  393    H    ALA  53           H        ALA  53  12.313 -26.885 -13.468
  394    HA   ALA  53           HA       ALA  53  10.738 -28.345 -11.580
  395    HB1  ALA  53           HB1      ALA  53  10.793 -26.279 -10.308
  396    HB2  ALA  53           HB2      ALA  53  12.387 -26.517 -11.041
  397    HB3  ALA  53           HB3      ALA  53  11.251 -25.342 -11.743
  398    H    LEU  54           H        LEU  54   9.816 -26.529 -14.399
  399    HA   LEU  54           HA       LEU  54   7.250 -25.590 -13.506
  400    HB2  LEU  54           HB2      LEU  54   8.337 -24.686 -15.510
  401    HB3  LEU  54           HB3      LEU  54   8.289 -26.272 -16.285
  402    HG   LEU  54           HG       LEU  54   5.819 -26.216 -16.331
  403   HD11  LEU  54          HD11      LEU  54   5.276 -24.852 -14.371
  404   HD12  LEU  54          HD12      LEU  54   6.112 -23.450 -15.075
  405   HD13  LEU  54          HD13      LEU  54   4.624 -24.079 -15.813
  406   HD21  LEU  54          HD21      LEU  54   7.116 -25.310 -18.222
  407   HD22  LEU  54          HD22      LEU  54   5.580 -24.455 -18.023
  408   HD23  LEU  54          HD23      LEU  54   7.095 -23.698 -17.477
  409    H    THR  55           H        THR  55   5.627 -26.876 -12.819
  410    HA   THR  55           HA       THR  55   4.993 -29.413 -14.146
  411    HB   THR  55           HB       THR  55   5.204 -29.335 -11.125
  412    HG1  THR  55           HG1      THR  55   7.296 -28.798 -11.823
  413   HG21  THR  55          HG21      THR  55   5.533 -31.761 -11.370
  414   HG22  THR  55          HG22      THR  55   4.074 -31.258 -12.233
  415   HG23  THR  55          HG23      THR  55   5.558 -31.600 -13.141
  416    H    ASP  56           H        ASP  56   2.713 -29.974 -13.612
  417    HA   ASP  56           HA       ASP  56   1.159 -27.581 -13.165
  418    HB2  ASP  56           HB2      ASP  56   0.658 -29.304 -14.919
  419    HB3  ASP  56           HB3      ASP  56   0.222 -30.435 -13.634
  420    H    LYS  57           H        LYS  57   2.619 -29.049 -10.981
  421    HA   LYS  57           HA       LYS  57   0.664 -28.641  -8.837
  422    HB2  LYS  57           HB2      LYS  57   1.328 -30.647  -7.716
  423    HB3  LYS  57           HB3      LYS  57   0.854 -31.066  -9.375
  424    HG2  LYS  57           HG2      LYS  57   3.156 -31.307 -10.055
  425    HG3  LYS  57           HG3      LYS  57   3.750 -30.758  -8.483
  426    HD2  LYS  57           HD2      LYS  57   2.054 -33.256  -8.852
  427    HD3  LYS  57           HD3      LYS  57   3.827 -33.240  -8.875
  428    HE2  LYS  57           HE2      LYS  57   3.846 -32.218  -6.597
  429    HE3  LYS  57           HE3      LYS  57   2.083 -32.323  -6.537
  430    HZ1  LYS  57           HZ1      LYS  57   2.266 -34.718  -6.630
  431    HZ2  LYS  57           HZ2      LYS  57   3.892 -34.653  -6.818
  432    HZ3  LYS  57           HZ3      LYS  57   3.223 -34.162  -5.414
  433    H    ALA  58           H        ALA  58   1.808 -28.209  -6.810
  434    HA   ALA  58           HA       ALA  58   4.636 -27.348  -6.943
  435    HB1  ALA  58           HB1      ALA  58   4.026 -25.062  -6.245
  436    HB2  ALA  58           HB2      ALA  58   3.355 -25.446  -7.839
  437    HB3  ALA  58           HB3      ALA  58   2.304 -25.462  -6.416
  438    H    ILE  59           H        ILE  59   4.752 -25.965  -4.519
  439    HA   ILE  59           HA       ILE  59   3.595 -27.709  -2.473
  440    HB   ILE  59           HB       ILE  59   5.713 -28.431  -1.588
  441   HG12  ILE  59          HG12      ILE  59   7.113 -27.202  -3.996
  442   HG13  ILE  59          HG13      ILE  59   7.128 -26.520  -2.363
  443   HG21  ILE  59          HG21      ILE  59   4.605 -29.884  -3.346
  444   HG22  ILE  59          HG22      ILE  59   5.787 -29.269  -4.503
  445   HG23  ILE  59          HG23      ILE  59   6.301 -30.195  -3.076
  446   HD11  ILE  59          HD11      ILE  59   9.148 -27.768  -2.633
  447   HD12  ILE  59          HD12      ILE  59   8.078 -28.683  -1.530
  448   HD13  ILE  59          HD13      ILE  59   8.260 -29.191  -3.222
  449    H    VAL  60           H        VAL  60   4.535 -26.958  -0.236
  450    HA   VAL  60           HA       VAL  60   4.760 -23.970  -0.297
  451    HB   VAL  60           HB       VAL  60   3.958 -25.839   1.934
  452   HG11  VAL  60          HG11      VAL  60   4.810 -23.663   2.750
  453   HG12  VAL  60          HG12      VAL  60   3.678 -22.813   1.683
  454   HG13  VAL  60          HG13      VAL  60   3.077 -23.799   3.041
  455   HG21  VAL  60          HG21      VAL  60   1.624 -25.081   1.609
  456   HG22  VAL  60          HG22      VAL  60   2.118 -24.195   0.150
  457   HG23  VAL  60          HG23      VAL  60   2.210 -25.972   0.213
  458    H    LYS  61           H        LYS  61   6.532 -23.016   0.748
  459    HA   LYS  61           HA       LYS  61   8.535 -24.774   2.094
  460    HB2  LYS  61           HB2      LYS  61   8.972 -22.845  -0.230
  461    HB3  LYS  61           HB3      LYS  61  10.267 -23.250   0.894
  462    HG2  LYS  61           HG2      LYS  61   9.978 -25.668   0.378
  463    HG3  LYS  61           HG3      LYS  61   8.739 -25.243  -0.816
  464    HD2  LYS  61           HD2      LYS  61  10.749 -25.518  -2.073
  465    HD3  LYS  61           HD3      LYS  61  10.464 -23.786  -1.972
  466    HE2  LYS  61           HE2      LYS  61  12.723 -23.906  -1.572
  467    HE3  LYS  61           HE3      LYS  61  12.072 -23.785   0.059
  468    HZ1  LYS  61           HZ1      LYS  61  13.745 -25.515  -0.084
  469    HZ2  LYS  61           HZ2      LYS  61  12.311 -26.253   0.189
  470    HZ3  LYS  61           HZ3      LYS  61  12.970 -26.245  -1.324
  471    H    LYS  62           H        LYS  62  10.155 -23.432   3.256
  472    HA   LYS  62           HA       LYS  62   9.174 -20.765   4.091
  473    HB2  LYS  62           HB2      LYS  62   8.673 -22.361   5.912
  474    HB3  LYS  62           HB3      LYS  62  10.340 -22.932   5.903
  475    HG2  LYS  62           HG2      LYS  62  11.118 -20.679   6.603
  476    HG3  LYS  62           HG3      LYS  62   9.442 -20.094   6.598
  477    HD2  LYS  62           HD2      LYS  62   8.840 -21.656   8.380
  478    HD3  LYS  62           HD3      LYS  62  10.443 -22.419   8.303
  479    HE2  LYS  62           HE2      LYS  62  11.507 -20.287   8.986
  480    HE3  LYS  62           HE3      LYS  62   9.916 -19.514   9.069
  481    HZ1  LYS  62           HZ1      LYS  62   9.308 -21.047  10.840
  482    HZ2  LYS  62           HZ2      LYS  62  10.764 -21.803  10.750
  483    HZ3  LYS  62           HZ3      LYS  62  10.680 -20.254  11.248
  484    H    GLU  63           H        GLU  63  10.803 -19.260   3.778
  485    HA   GLU  63           HA       GLU  63  13.628 -20.080   3.577
  486    HB2  GLU  63           HB2      GLU  63  11.996 -18.999   1.232
  487    HB3  GLU  63           HB3      GLU  63  13.764 -18.973   1.295
  488    HG2  GLU  63           HG2      GLU  63  13.758 -21.469   1.542
  489    HG3  GLU  63           HG3      GLU  63  12.002 -21.457   1.345
  490    H    LEU  64           H        LEU  64  15.016 -18.053   3.347
  491    HA   LEU  64           HA       LEU  64  14.024 -16.001   5.108
  492    HB2  LEU  64           HB2      LEU  64  16.470 -16.960   4.662
  493    HB3  LEU  64           HB3      LEU  64  16.513 -15.740   3.405
  494    HG   LEU  64           HG       LEU  64  17.587 -14.941   5.396
  495   HD11  LEU  64          HD11      LEU  64  16.571 -12.864   5.800
  496   HD12  LEU  64          HD12      LEU  64  16.231 -13.283   4.112
  497   HD13  LEU  64          HD13      LEU  64  14.967 -13.435   5.366
  498   HD21  LEU  64          HD21      LEU  64  16.530 -14.695   7.567
  499   HD22  LEU  64          HD22      LEU  64  15.004 -15.364   6.962
  500   HD23  LEU  64          HD23      LEU  64  16.452 -16.386   7.055
  501    H    LEU  65           H        LEU  65  13.098 -14.036   4.557
  502    HA   LEU  65           HA       LEU  65  11.714 -13.748   2.218
  503    HB2  LEU  65           HB2      LEU  65  11.403 -12.492   4.340
  504    HB3  LEU  65           HB3      LEU  65  12.758 -11.452   3.942
  505    HG   LEU  65           HG       LEU  65  10.421 -11.761   2.011
  506   HD11  LEU  65          HD11      LEU  65   9.355  -9.787   3.149
  507   HD12  LEU  65          HD12      LEU  65   9.453 -11.168   4.243
  508   HD13  LEU  65          HD13      LEU  65  10.610  -9.841   4.398
  509   HD21  LEU  65          HD21      LEU  65  10.940  -9.415   1.430
  510   HD22  LEU  65          HD22      LEU  65  12.262  -9.383   2.616
  511   HD23  LEU  65          HD23      LEU  65  12.355 -10.395   1.167
  512    H    TYR  66           H        TYR  66  14.915 -12.211   2.860
  513    HA   TYR  66           HA       TYR  66  14.871 -10.659   0.546
  514    HB2  TYR  66           HB2      TYR  66  17.419 -11.716   1.777
  515    HB3  TYR  66           HB3      TYR  66  17.159 -10.172   0.978
  516    HD1  TYR  66           HD2      TYR  66  14.795  -9.006   2.289
  517    HD2  TYR  66           HD1      TYR  66  17.991 -11.354   4.000
  518    HE1  TYR  66           HE2      TYR  66  14.296  -8.063   4.521
  519    HE2  TYR  66           HE1      TYR  66  17.479 -10.455   6.227
  520    HH   TYR  66           HH       TYR  66  16.126  -8.994   7.470
  521    H    ASP  67           H        ASP  67  15.636 -14.093   0.819
  522    HA   ASP  67           HA       ASP  67  16.940 -14.223  -1.815
  523    HB2  ASP  67           HB2      ASP  67  17.536 -15.843  -0.059
  524    HB3  ASP  67           HB3      ASP  67  15.867 -16.422  -0.008
  525    H    VAL  68           H        VAL  68  13.740 -14.967  -0.345
  526    HA   VAL  68           HA       VAL  68  12.446 -15.917  -2.692
  527    HB   VAL  68           HB       VAL  68  11.289 -14.473  -0.238
  528   HG11  VAL  68          HG11      VAL  68   9.898 -16.168  -2.362
  529   HG12  VAL  68          HG12      VAL  68   9.171 -15.631  -0.835
  530   HG13  VAL  68          HG13      VAL  68   9.636 -14.436  -2.046
  531   HG21  VAL  68          HG21      VAL  68  10.746 -16.832   0.464
  532   HG22  VAL  68          HG22      VAL  68  11.674 -17.435  -0.914
  533   HG23  VAL  68          HG23      VAL  68  12.481 -16.536   0.388
  534    H    ALA  69           H        ALA  69  13.048 -12.642  -1.482
  535    HA   ALA  69           HA       ALA  69  11.488 -11.424  -3.620
  536    HB1  ALA  69           HB1      ALA  69  13.155 -10.055  -1.479
  537    HB2  ALA  69           HB2      ALA  69  11.770  -9.427  -2.410
  538    HB3  ALA  69           HB3      ALA  69  11.515 -10.668  -1.176
  539    H    GLY  70           H        GLY  70  14.381 -12.787  -3.918
  540    HA2  GLY  70           HA2      GLY  70  16.298 -10.891  -4.428
  541    HA3  GLY  70           HA3      GLY  70  16.224 -12.484  -5.194
  542    H    SER  71           H        SER  71  13.576 -11.621  -6.585
  543    HA   SER  71           HA       SER  71  14.641 -10.977  -9.055
  544    HB2  SER  71           HB2      SER  71  11.854 -10.368  -8.027
  545    HB3  SER  71           HB3      SER  71  12.332 -10.569  -9.720
  546    HG   SER  71           HG       SER  71  12.933 -12.746  -9.156
  547    H    ASP  72           H        ASP  72  13.119  -8.676  -6.727
  548    HA   ASP  72           HA       ASP  72  14.542  -6.430  -7.870
  549    HB2  ASP  72           HB2      ASP  72  12.733  -6.787  -9.563
  550    HB3  ASP  72           HB3      ASP  72  11.554  -6.547  -8.275
  551    H    LYS  73           H        LYS  73  11.431  -6.879  -6.199
  552    HA   LYS  73           HA       LYS  73  12.302  -5.290  -3.882
  553    HB2  LYS  73           HB2      LYS  73  10.535  -4.293  -6.147
  554    HB3  LYS  73           HB3      LYS  73  10.333  -3.654  -4.499
  555    HG2  LYS  73           HG2      LYS  73  12.889  -3.159  -4.639
  556    HG3  LYS  73           HG3      LYS  73  12.678  -3.372  -6.381
  557    HD2  LYS  73           HD2      LYS  73  11.247  -1.370  -4.578
  558    HD3  LYS  73           HD3      LYS  73  12.550  -0.991  -5.691
  559    HE2  LYS  73           HE2      LYS  73   9.788  -2.017  -6.503
  560    HE3  LYS  73           HE3      LYS  73  10.283  -0.324  -6.491
  561    HZ1  LYS  73           HZ1      LYS  73  12.016  -0.922  -8.129
  562    HZ2  LYS  73           HZ2      LYS  73  11.406  -2.453  -8.220
  563    HZ3  LYS  73           HZ3      LYS  73  10.507  -1.173  -8.688
  564    H    TYR  74           H        TYR  74  10.238  -4.838  -2.502
  565    HA   TYR  74           HA       TYR  74   8.007  -6.632  -2.789
  566    HB2  TYR  74           HB2      TYR  74   8.503  -7.966  -0.775
  567    HB3  TYR  74           HB3      TYR  74   9.654  -8.269  -2.047
  568    HD1  TYR  74           HD1      TYR  74  12.035  -7.397  -1.845
  569    HD2  TYR  74           HD2      TYR  74   9.168  -6.847   1.330
  570    HE1  TYR  74           HE1      TYR  74  13.884  -6.979  -0.264
  571    HE2  TYR  74           HE2      TYR  74  11.020  -6.348   2.908
  572    HH   TYR  74           HH       TYR  74  13.338  -6.182   3.187
  573    H    GLN  75           H        GLN  75   6.486  -6.313  -0.971
  574    HA   GLN  75           HA       GLN  75   7.147  -4.543   1.151
  575    HB2  GLN  75           HB2      GLN  75   5.325  -2.836   0.671
  576    HB3  GLN  75           HB3      GLN  75   6.832  -2.651  -0.184
  577    HG2  GLN  75           HG2      GLN  75   4.426  -4.019  -1.438
  578    HG3  GLN  75           HG3      GLN  75   4.627  -2.276  -1.465
  579   HE21  GLN  75          HE22      GLN  75   4.572  -4.236  -3.723
  580   HE22  GLN  75          HE21      GLN  75   6.066  -3.973  -4.609
  581    H    VAL  76           H        VAL  76   5.170  -4.172   2.604
  582    HA   VAL  76           HA       VAL  76   3.645  -6.629   2.853
  583    HB   VAL  76           HB       VAL  76   3.471  -3.920   4.251
  584   HG11  VAL  76          HG11      VAL  76   1.983  -6.509   4.876
  585   HG12  VAL  76          HG12      VAL  76   2.100  -5.123   5.981
  586   HG13  VAL  76          HG13      VAL  76   1.271  -4.941   4.437
  587   HG21  VAL  76          HG21      VAL  76   4.455  -5.079   6.152
  588   HG22  VAL  76          HG22      VAL  76   4.546  -6.595   5.246
  589   HG23  VAL  76          HG23      VAL  76   5.546  -5.201   4.768
  590    H    ASN  77           H        ASN  77   1.557  -6.933   2.169
  591    HA   ASN  77           HA       ASN  77  -0.104  -4.675   1.366
  592    HB2  ASN  77           HB2      ASN  77   1.065  -5.122  -0.767
  593    HB3  ASN  77           HB3      ASN  77   0.509  -6.795  -0.723
  594   HD21  ASN  77          HD21      ASN  77  -0.271  -5.767  -2.939
  595   HD22  ASN  77          HD22      ASN  77  -1.920  -5.151  -2.922
  596    H    ASN  78           H        ASN  78  -0.905  -5.591   3.413
  597    HA   ASN  78           HA       ASN  78  -2.289  -8.158   3.447
  598    HB2  ASN  78           HB2      ASN  78  -2.542  -5.674   5.194
  599    HB3  ASN  78           HB3      ASN  78  -3.448  -7.174   5.433
  600   HD21  ASN  78          HD22      ASN  78  -1.115  -5.631   6.924
  601   HD22  ASN  78          HD21      ASN  78  -0.233  -7.025   7.511
  602    H    LYS  79           H        LYS  79  -3.612  -8.241   1.608
  603    HA   LYS  79           HA       LYS  79  -4.996  -6.021   0.576
  604    HB2  LYS  79           HB2      LYS  79  -5.569  -8.993   0.188
  605    HB3  LYS  79           HB3      LYS  79  -6.366  -7.687  -0.703
  606    HG2  LYS  79           HG2      LYS  79  -4.058  -6.857  -1.396
  607    HG3  LYS  79           HG3      LYS  79  -3.382  -8.316  -0.674
  608    HD2  LYS  79           HD2      LYS  79  -3.554  -8.541  -3.074
  609    HD3  LYS  79           HD3      LYS  79  -4.623  -9.714  -2.295
  610    HE2  LYS  79           HE2      LYS  79  -6.578  -8.506  -2.889
  611    HE3  LYS  79           HE3      LYS  79  -5.684  -7.010  -3.189
  612    HZ1  LYS  79           HZ1      LYS  79  -6.421  -8.197  -5.220
  613    HZ2  LYS  79           HZ2      LYS  79  -4.819  -7.908  -5.188
  614    HZ3  LYS  79           HZ3      LYS  79  -5.368  -9.417  -4.898
  615    H    HIS  80           H        HIS  80  -6.639  -4.902   1.274
  616    HA   HIS  80           HA       HIS  80  -8.313  -4.121   2.531
  617    HB2  HIS  80           HB2      HIS  80  -9.601  -6.773   1.878
  618    HB3  HIS  80           HB3      HIS  80 -10.405  -5.324   2.499
  619    HD2  HIS  80           HD2      HIS  80  -8.872  -6.745  -0.725
  620    HE1  HIS  80           HE1      HIS  80 -10.637  -3.012  -1.777
  621    HE2  HIS  80           HE2      HIS  80  -9.538  -5.120  -2.684
  622    H    ASP  81           H        ASP  81  -6.245  -5.043   4.105
  623    HA   ASP  81           HA       ASP  81  -6.954  -6.433   6.439
  624    HB2  ASP  81           HB2      ASP  81  -4.739  -5.474   5.907
  625    HB3  ASP  81           HB3      ASP  81  -5.362  -3.853   6.157
  626    H    ASP  82           H        ASP  82  -8.433  -3.587   5.230
  627    HA   ASP  82           HA       ASP  82  -9.174  -2.427   7.856
  628    HB2  ASP  82           HB2      ASP  82  -8.528  -0.932   5.985
  629    HB3  ASP  82           HB3      ASP  82  -9.854  -1.577   5.013
  630    H    LYS  83           H        LYS  83 -10.387  -4.606   5.410
  631    HA   LYS  83           HA       LYS  83 -13.175  -4.387   6.479
  632    HB2  LYS  83           HB2      LYS  83 -12.344  -5.588   3.819
  633    HB3  LYS  83           HB3      LYS  83 -13.963  -5.147   4.353
  634    HG2  LYS  83           HG2      LYS  83 -11.720  -3.264   3.576
  635    HG3  LYS  83           HG3      LYS  83 -13.192  -3.630   2.674
  636    HD2  LYS  83           HD2      LYS  83 -14.554  -2.649   4.563
  637    HD3  LYS  83           HD3      LYS  83 -13.027  -2.193   5.358
  638    HE2  LYS  83           HE2      LYS  83 -12.416  -1.121   3.075
  639    HE3  LYS  83           HE3      LYS  83 -14.141  -1.258   2.702
  640    HZ1  LYS  83           HZ1      LYS  83 -14.557   0.104   4.712
  641    HZ2  LYS  83           HZ2      LYS  83 -12.933   0.202   4.990
  642    HZ3  LYS  83           HZ3      LYS  83 -13.595   0.908   3.665
  643    H    TYR  84           H        TYR  84 -10.424  -6.532   5.946
  644    HA   TYR  84           HA       TYR  84 -11.953  -8.825   7.083
  645    HB2  TYR  84           HB2      TYR  84 -10.300  -8.753   4.520
  646    HB3  TYR  84           HB3      TYR  84 -10.947 -10.210   5.242
  647    HD1  TYR  84           HD2      TYR  84 -13.632 -10.028   5.790
  648    HD2  TYR  84           HD1      TYR  84 -11.507  -7.863   2.730
  649    HE1  TYR  84           HE2      TYR  84 -15.748  -9.755   4.525
  650    HE2  TYR  84           HE1      TYR  84 -13.611  -7.571   1.457
  651    HH   TYR  84           HH       TYR  84 -15.903  -8.000   1.388
  652    H    SER  85           H        SER  85 -10.681 -10.513   7.755
  653    HA   SER  85           HA       SER  85  -8.532 -11.656   7.894
  654    HB2  SER  85           HB2      SER  85  -7.506  -9.110   9.155
  655    HB3  SER  85           HB3      SER  85  -6.694 -10.689   9.156
  656    HG   SER  85           HG       SER  85  -7.428  -9.102   6.945
  657    HA   PRO  86           HA       PRO  86 -11.154 -11.920  11.683
  658    HB2  PRO  86           HB2      PRO  86 -11.859 -14.570  11.480
  659    HB3  PRO  86           HB3      PRO  86 -12.721 -13.241  10.640
  660    HG2  PRO  86           HG2      PRO  86 -10.566 -15.068   9.555
  661    HG3  PRO  86           HG3      PRO  86 -12.123 -14.622   8.786
  662    HD2  PRO  86           HD2      PRO  86  -9.809 -13.373   8.131
  663    HD3  PRO  86           HD3      PRO  86 -11.343 -12.461   8.251
  664    H    LEU  87           H        LEU  87  -8.322 -13.604  10.663
  665    HA   LEU  87           HA       LEU  87  -8.054 -15.114  13.171
  666    HB2  LEU  87           HB2      LEU  87  -6.417 -14.947  10.618
  667    HB3  LEU  87           HB3      LEU  87  -6.001 -15.986  11.979
  668    HG   LEU  87           HG       LEU  87  -8.584 -16.143  10.365
  669   HD11  LEU  87          HD11      LEU  87  -7.603 -18.234   9.449
  670   HD12  LEU  87          HD12      LEU  87  -6.584 -16.834   9.078
  671   HD13  LEU  87          HD13      LEU  87  -6.111 -17.949  10.372
  672   HD21  LEU  87          HD21      LEU  87  -7.512 -17.974  12.565
  673   HD22  LEU  87          HD22      LEU  87  -8.996 -16.994  12.619
  674   HD23  LEU  87          HD23      LEU  87  -8.887 -18.352  11.506
  675    HA   PRO  88           HA       PRO  88  -5.119 -11.972  14.679
  676    HB2  PRO  88           HB2      PRO  88  -4.289 -13.194  16.966
  677    HB3  PRO  88           HB3      PRO  88  -5.912 -12.450  16.823
  678    HG2  PRO  88           HG2      PRO  88  -5.154 -15.358  16.513
  679    HG3  PRO  88           HG3      PRO  88  -6.511 -14.669  17.458
  680    HD2  PRO  88           HD2      PRO  88  -6.810 -15.677  14.910
  681    HD3  PRO  88           HD3      PRO  88  -7.803 -14.321  15.525
  682    H    CYS  89           H        CYS  89  -2.749 -11.987  15.006
  683    HA   CYS  89           HA       CYS  89  -1.458 -13.093  12.890
  684    HB2  CYS  89           HB2      CYS  89  -0.162 -12.373  15.552
  685    HB3  CYS  89           HB3      CYS  89   0.638 -12.436  13.974
  686    HG   CYS  89           HG       CYS  89  -0.745 -10.584  12.819
  687    H    SER  90           H        SER  90  -1.583 -14.574  16.167
  688    HA   SER  90           HA       SER  90   0.414 -16.497  15.828
  689    HB2  SER  90           HB2      SER  90  -0.864 -17.672  17.676
  690    HB3  SER  90           HB3      SER  90  -0.477 -15.971  17.978
  691    HG   SER  90           HG       SER  90  -2.550 -15.929  18.423
  692    H    LYS  91           H        LYS  91  -3.064 -16.767  15.114
  693    HA   LYS  91           HA       LYS  91  -3.004 -19.513  14.306
  694    HB2  LYS  91           HB2      LYS  91  -4.948 -17.350  13.463
  695    HB3  LYS  91           HB3      LYS  91  -5.191 -19.089  13.322
  696    HG2  LYS  91           HG2      LYS  91  -5.013 -17.504  15.918
  697    HG3  LYS  91           HG3      LYS  91  -6.462 -18.135  15.159
  698    HD2  LYS  91           HD2      LYS  91  -6.135 -19.725  16.768
  699    HD3  LYS  91           HD3      LYS  91  -5.338 -20.478  15.400
  700    HE2  LYS  91           HE2      LYS  91  -3.994 -20.808  17.362
  701    HE3  LYS  91           HE3      LYS  91  -3.117 -19.701  16.310
  702    HZ1  LYS  91           HZ1      LYS  91  -3.160 -19.070  18.694
  703    HZ2  LYS  91           HZ2      LYS  91  -3.728 -17.882  17.742
  704    HZ3  LYS  91           HZ3      LYS  91  -4.763 -18.820  18.617
  705    H    ILE  92           H        ILE  92  -2.326 -16.493  12.529
  706    HA   ILE  92           HA       ILE  92  -2.389 -17.707   9.923
  707    HB   ILE  92           HB       ILE  92  -0.781 -15.284  10.833
  708   HG12  ILE  92          HG12      ILE  92  -3.609 -15.345   9.673
  709   HG13  ILE  92          HG13      ILE  92  -3.241 -15.070  11.368
  710   HG21  ILE  92          HG21      ILE  92  -1.739 -16.160   8.081
  711   HG22  ILE  92          HG22      ILE  92  -0.880 -14.653   8.434
  712   HG23  ILE  92          HG23      ILE  92  -0.065 -16.193   8.668
  713   HD11  ILE  92          HD11      ILE  92  -3.615 -12.941  10.399
  714   HD12  ILE  92          HD12      ILE  92  -1.875 -13.072  10.740
  715   HD13  ILE  92          HD13      ILE  92  -2.472 -13.256   9.084
  716    H    ILE  93           H        ILE  93   0.289 -17.088  12.309
  717    HA   ILE  93           HA       ILE  93   2.317 -18.354  10.790
  718    HB   ILE  93           HB       ILE  93   2.127 -18.355  13.833
  719   HG12  ILE  93          HG12      ILE  93   1.775 -16.079  13.269
  720   HG13  ILE  93          HG13      ILE  93   3.409 -16.250  13.842
  721   HG21  ILE  93          HG21      ILE  93   4.606 -18.276  13.679
  722   HG22  ILE  93          HG22      ILE  93   3.904 -19.730  12.959
  723   HG23  ILE  93          HG23      ILE  93   4.480 -18.416  11.907
  724   HD11  ILE  93          HD11      ILE  93   3.259 -14.729  11.937
  725   HD12  ILE  93          HD12      ILE  93   4.270 -16.121  11.530
  726   HD13  ILE  93          HD13      ILE  93   2.604 -15.999  10.901
  727    H    GLN  94           H        GLN  94   0.084 -19.665  13.250
  728    HA   GLN  94           HA       GLN  94   1.010 -22.314  13.355
  729    HB2  GLN  94           HB2      GLN  94  -1.736 -21.054  13.693
  730    HB3  GLN  94           HB3      GLN  94  -1.539 -22.791  13.819
  731    HG2  GLN  94           HG2      GLN  94  -0.118 -20.721  15.546
  732    HG3  GLN  94           HG3      GLN  94  -1.531 -21.666  16.008
  733   HE21  GLN  94          HE22      GLN  94  -1.020 -24.253  15.322
  734   HE22  GLN  94          HE21      GLN  94   0.452 -24.827  16.058
  735    H    ARG  95           H        ARG  95  -1.467 -20.900  11.156
  736    HA   ARG  95           HA       ARG  95  -1.863 -23.315   9.653
  737    HB2  ARG  95           HB2      ARG  95  -2.260 -20.350   9.052
  738    HB3  ARG  95           HB3      ARG  95  -2.476 -21.545   7.784
  739    HG2  ARG  95           HG2      ARG  95  -4.037 -21.585  10.400
  740    HG3  ARG  95           HG3      ARG  95  -4.583 -20.857   8.885
  741    HD2  ARG  95           HD2      ARG  95  -4.029 -23.250   7.856
  742    HD3  ARG  95           HD3      ARG  95  -4.135 -23.784   9.530
  743    HE   ARG  95           HE       ARG  95  -6.412 -23.534   9.475
  744   HH11  ARG  95          HH21      ARG  95  -5.086 -21.805   6.649
  745   HH12  ARG  95          HH22      ARG  95  -6.636 -21.554   5.925
  746   HH21  ARG  95          HH11      ARG  95  -8.462 -23.270   8.389
  747   HH22  ARG  95          HH12      ARG  95  -8.510 -22.462   6.850
  748    H    ALA  96           H        ALA  96   0.310 -20.498   9.058
  749    HA   ALA  96           HA       ALA  96   1.316 -21.334   6.609
  750    HB1  ALA  96           HB1      ALA  96   2.860 -19.854   8.792
  751    HB2  ALA  96           HB2      ALA  96   3.162 -19.807   7.048
  752    HB3  ALA  96           HB3      ALA  96   1.684 -19.093   7.705
  753    H    GLU  97           H        GLU  97   2.645 -22.029   9.854
  754    HA   GLU  97           HA       GLU  97   4.811 -23.567   8.701
  755    HB2  GLU  97           HB2      GLU  97   4.024 -23.091  11.600
  756    HB3  GLU  97           HB3      GLU  97   5.499 -23.904  11.049
  757    HG2  GLU  97           HG2      GLU  97   5.979 -21.789   9.659
  758    HG3  GLU  97           HG3      GLU  97   4.731 -20.990  10.610
  759    H    GLU  98           H        GLU  98   1.549 -24.478   9.613
  760    HA   GLU  98           HA       GLU  98   2.206 -27.268  10.098
  761    HB2  GLU  98           HB2      GLU  98  -0.292 -25.649   9.535
  762    HB3  GLU  98           HB3      GLU  98  -0.345 -27.398   9.351
  763    HG2  GLU  98           HG2      GLU  98   0.536 -26.023  11.918
  764    HG3  GLU  98           HG3      GLU  98  -1.119 -26.522  11.572
  765    H    LEU  99           H        LEU  99   1.587 -25.090   7.410
  766    HA   LEU  99           HA       LEU  99   1.208 -27.292   5.515
  767    HB2  LEU  99           HB2      LEU  99   1.069 -24.277   5.218
  768    HB3  LEU  99           HB3      LEU  99   0.622 -25.438   3.966
  769    HG   LEU  99           HG       LEU  99  -0.696 -25.361   6.730
  770   HD11  LEU  99          HD11      LEU  99  -2.591 -24.234   5.631
  771   HD12  LEU  99          HD12      LEU  99  -1.115 -23.268   5.579
  772   HD13  LEU  99          HD13      LEU  99  -1.659 -24.123   4.116
  773   HD21  LEU  99          HD21      LEU  99  -0.981 -27.519   5.659
  774   HD22  LEU  99          HD22      LEU  99  -2.503 -26.645   5.621
  775   HD23  LEU  99          HD23      LEU  99  -1.513 -26.752   4.145
  776    H    VAL 100           H        VAL 100   3.900 -25.253   6.459
  777    HA   VAL 100           HA       VAL 100   5.499 -25.339   4.157
  778    HB   VAL 100           HB       VAL 100   6.212 -25.635   7.101
  779   HG11  VAL 100          HG11      VAL 100   8.539 -25.002   6.479
  780   HG12  VAL 100          HG12      VAL 100   8.106 -26.587   5.847
  781   HG13  VAL 100          HG13      VAL 100   8.127 -25.181   4.759
  782   HG21  VAL 100          HG21      VAL 100   6.571 -23.289   5.183
  783   HG22  VAL 100          HG22      VAL 100   5.216 -23.447   6.295
  784   HG23  VAL 100          HG23      VAL 100   6.841 -23.302   6.947
  785    H    GLY 101           H        GLY 101   6.426 -26.912   2.962
  786    HA2  GLY 101           HA2      GLY 101   7.419 -28.891   2.441
  787    HA3  GLY 101           HA3      GLY 101   7.147 -29.495   4.084
  788    H    GLN 102           H        GLN 102   4.127 -28.356   3.021
  789    HA   GLN 102           HA       GLN 102   3.307 -31.082   2.196
  790    HB2  GLN 102           HB2      GLN 102   1.642 -28.610   2.861
  791    HB3  GLN 102           HB3      GLN 102   1.002 -30.118   2.218
  792    HG2  GLN 102           HG2      GLN 102   2.072 -31.356   4.104
  793    HG3  GLN 102           HG3      GLN 102   2.499 -29.801   4.842
  794   HE21  GLN 102          HE22      GLN 102   1.085 -29.454   6.599
  795   HE22  GLN 102          HE21      GLN 102  -0.618 -29.843   6.558
  796    H    GLU 103           H        GLU 103   1.831 -31.183   0.363
  797    HA   GLU 103           HA       GLU 103   3.057 -29.735  -1.924
  798    HB2  GLU 103           HB2      GLU 103   1.550 -32.391  -1.821
  799    HB3  GLU 103           HB3      GLU 103   2.269 -31.669  -3.264
  800    HG2  GLU 103           HG2      GLU 103   4.526 -31.936  -2.306
  801    HG3  GLU 103           HG3      GLU 103   3.844 -32.567  -0.808
  802    H    VAL 104           H        VAL 104   1.684 -28.931  -3.590
  803    HA   VAL 104           HA       VAL 104  -1.244 -29.028  -3.090
  804    HB   VAL 104           HB       VAL 104  -1.341 -26.770  -4.035
  805   HG11  VAL 104          HG11      VAL 104  -0.809 -25.565  -1.952
  806   HG12  VAL 104          HG12      VAL 104  -1.550 -27.134  -1.596
  807   HG13  VAL 104          HG13      VAL 104   0.203 -26.915  -1.411
  808   HG21  VAL 104          HG21      VAL 104   0.907 -26.646  -5.074
  809   HG22  VAL 104          HG22      VAL 104   0.485 -25.248  -4.098
  810   HG23  VAL 104          HG23      VAL 104   1.607 -26.453  -3.442
  811    H    LEU 105           H        LEU 105  -2.531 -29.133  -4.970
  812    HA   LEU 105           HA       LEU 105  -1.051 -30.500  -7.138
  813    HB2  LEU 105           HB2      LEU 105  -3.991 -30.384  -6.411
  814    HB3  LEU 105           HB3      LEU 105  -3.303 -31.424  -7.661
  815    HG   LEU 105           HG       LEU 105  -2.778 -31.658  -4.669
  816   HD11  LEU 105          HD11      LEU 105  -4.243 -33.497  -6.608
  817   HD12  LEU 105          HD12      LEU 105  -3.975 -33.791  -4.875
  818   HD13  LEU 105          HD13      LEU 105  -5.001 -32.444  -5.393
  819   HD21  LEU 105          HD21      LEU 105  -0.737 -32.304  -5.848
  820   HD22  LEU 105          HD22      LEU 105  -1.553 -33.752  -5.259
  821   HD23  LEU 105          HD23      LEU 105  -1.668 -33.316  -6.980
  822    H    TYR 106           H        TYR 106  -1.328 -27.537  -6.929
  823    HA   TYR 106           HA       TYR 106  -2.295 -27.062  -9.705
  824    HB2  TYR 106           HB2      TYR 106  -2.924 -24.769  -8.999
  825    HB3  TYR 106           HB3      TYR 106  -3.920 -26.042  -8.333
  826    HD1  TYR 106           HD1      TYR 106  -0.987 -23.834  -7.433
  827    HD2  TYR 106           HD2      TYR 106  -4.376 -26.106  -6.026
  828    HE1  TYR 106           HE1      TYR 106  -0.679 -22.890  -5.160
  829    HE2  TYR 106           HE2      TYR 106  -4.087 -25.153  -3.764
  830    HH   TYR 106           HH       TYR 106  -2.855 -23.700  -2.423
  831    H    LYS 107           H        LYS 107  -1.116 -25.624 -10.952
  832    HA   LYS 107           HA       LYS 107   1.624 -25.645 -10.750
  833    HB2  LYS 107           HB2      LYS 107  -0.258 -25.335 -12.660
  834    HB3  LYS 107           HB3      LYS 107  -0.105 -23.620 -12.285
  835    HG2  LYS 107           HG2      LYS 107   2.403 -23.923 -12.771
  836    HG3  LYS 107           HG3      LYS 107   1.959 -25.538 -13.337
  837    HD2  LYS 107           HD2      LYS 107   0.888 -22.920 -14.470
  838    HD3  LYS 107           HD3      LYS 107   2.199 -23.872 -15.181
  839    HE2  LYS 107           HE2      LYS 107   0.655 -25.800 -15.472
  840    HE3  LYS 107           HE3      LYS 107  -0.665 -24.852 -14.781
  841    HZ1  LYS 107           HZ1      LYS 107   0.772 -24.188 -17.286
  842    HZ2  LYS 107           HZ2      LYS 107  -0.727 -24.814 -17.185
  843    HZ3  LYS 107           HZ3      LYS 107  -0.445 -23.307 -16.641
  844    H    LEU 108           H        LEU 108   3.063 -23.681 -10.819
  845    HA   LEU 108           HA       LEU 108   2.431 -21.629  -8.840
  846    HB2  LEU 108           HB2      LEU 108   4.766 -22.350 -10.581
  847    HB3  LEU 108           HB3      LEU 108   4.531 -20.629 -10.390
  848    HG   LEU 108           HG       LEU 108   6.117 -21.521  -8.764
  849   HD11  LEU 108          HD11      LEU 108   3.588 -20.513  -7.385
  850   HD12  LEU 108          HD12      LEU 108   5.245 -20.444  -6.772
  851   HD13  LEU 108          HD13      LEU 108   4.797 -19.497  -8.196
  852   HD21  LEU 108          HD21      LEU 108   5.216 -23.753  -8.436
  853   HD22  LEU 108          HD22      LEU 108   5.272 -22.902  -6.875
  854   HD23  LEU 108          HD23      LEU 108   3.734 -23.096  -7.712
  855    H    THR 109           H        THR 109   1.254 -19.843  -9.228
  856    HA   THR 109           HA       THR 109   1.527 -18.417 -11.730
  857    HB   THR 109           HB       THR 109  -0.871 -17.979 -11.984
  858    HG1  THR 109           HG1      THR 109  -2.369 -19.292 -10.887
  859   HG21  THR 109          HG21      THR 109  -1.644 -20.036 -12.987
  860   HG22  THR 109          HG22      THR 109   0.087 -19.871 -13.317
  861   HG23  THR 109          HG23      THR 109  -0.478 -20.999 -12.058
  862    H    SER 110           H        SER 110   1.021 -16.124 -11.315
  863    HA   SER 110           HA       SER 110   1.652 -15.089  -8.825
  864    HB2  SER 110           HB2      SER 110  -0.255 -13.787 -10.796
  865    HB3  SER 110           HB3      SER 110   0.970 -13.018  -9.781
  866    HG   SER 110           HG       SER 110   1.500 -13.285 -12.078
  867    H    GLU 111           H        GLU 111  -1.553 -15.909 -10.196
  868    HA   GLU 111           HA       GLU 111  -3.117 -14.869  -8.035
  869    HB2  GLU 111           HB2      GLU 111  -3.903 -15.230 -10.369
  870    HB3  GLU 111           HB3      GLU 111  -3.776 -16.980 -10.138
  871    HG2  GLU 111           HG2      GLU 111  -5.482 -16.883  -8.353
  872    HG3  GLU 111           HG3      GLU 111  -5.539 -15.122  -8.479
  873    H    ASN 112           H        ASN 112  -1.748 -18.169  -8.712
  874    HA   ASN 112           HA       ASN 112  -3.190 -19.349  -6.518
  875    HB2  ASN 112           HB2      ASN 112  -0.784 -20.253  -8.124
  876    HB3  ASN 112           HB3      ASN 112  -1.348 -21.149  -6.723
  877   HD21  ASN 112          HD22      ASN 112  -1.337 -22.209  -9.415
  878   HD22  ASN 112          HD21      ASN 112  -3.009 -22.490  -9.862
  879    H    CYS 113           H        CYS 113   0.029 -17.733  -6.693
  880    HA   CYS 113           HA       CYS 113   0.691 -18.362  -3.962
  881    HB2  CYS 113           HB2      CYS 113   1.499 -15.902  -5.580
  882    HB3  CYS 113           HB3      CYS 113   2.254 -16.492  -4.090
  883    HG   CYS 113           HG       CYS 113   3.839 -17.104  -6.093
  884    H    GLU 114           H        GLU 114  -1.067 -15.607  -5.483
  885    HA   GLU 114           HA       GLU 114  -1.424 -14.075  -3.141
  886    HB2  GLU 114           HB2      GLU 114  -1.788 -13.454  -5.597
  887    HB3  GLU 114           HB3      GLU 114  -3.350 -14.247  -5.509
  888    HG2  GLU 114           HG2      GLU 114  -4.151 -12.712  -3.841
  889    HG3  GLU 114           HG3      GLU 114  -2.548 -12.044  -3.568
  890    H    HIS 115           H        HIS 115  -3.486 -16.555  -4.642
  891    HA   HIS 115           HA       HIS 115  -5.615 -16.617  -2.790
  892    HB2  HIS 115           HB2      HIS 115  -5.679 -17.691  -4.991
  893    HB3  HIS 115           HB3      HIS 115  -4.368 -18.776  -4.547
  894    HD2  HIS 115           HD2      HIS 115  -4.931 -20.650  -2.557
  895    HE1  HIS 115           HE1      HIS 115  -9.155 -20.507  -3.068
  896    HE2  HIS 115           HE2      HIS 115  -7.230 -21.731  -1.917
  897    H    PHE 116           H        PHE 116  -2.608 -18.653  -2.931
  898    HA   PHE 116           HA       PHE 116  -3.184 -20.162  -0.673
  899    HB2  PHE 116           HB2      PHE 116  -1.398 -20.875  -2.103
  900    HB3  PHE 116           HB3      PHE 116  -0.569 -19.330  -1.981
  901    HD1  PHE 116           HD1      PHE 116  -1.403 -22.432  -0.056
  902    HD2  PHE 116           HD2      PHE 116   0.973 -18.838  -0.224
  903    HE1  PHE 116           HE1      PHE 116  -0.105 -23.187   1.922
  904    HE2  PHE 116           HE2      PHE 116   2.196 -19.542   1.814
  905    HZ   PHE 116           HZ       PHE 116   1.688 -21.747   2.862
  906    H    VAL 117           H        VAL 117  -1.264 -17.100  -0.734
  907    HA   VAL 117           HA       VAL 117  -0.817 -17.284   2.096
  908    HB   VAL 117           HB       VAL 117  -0.007 -15.046   2.041
  909   HG11  VAL 117          HG11      VAL 117   0.962 -16.517  -0.426
  910   HG12  VAL 117          HG12      VAL 117   1.824 -15.284   0.501
  911   HG13  VAL 117          HG13      VAL 117   1.461 -16.841   1.256
  912   HG21  VAL 117          HG21      VAL 117  -1.669 -13.994   0.471
  913   HG22  VAL 117          HG22      VAL 117   0.003 -13.610   0.079
  914   HG23  VAL 117          HG23      VAL 117  -0.872 -14.823  -0.877
  915    H    ASN 118           H        ASN 118  -3.539 -15.961   0.232
  916    HA   ASN 118           HA       ASN 118  -4.691 -14.621   2.538
  917    HB2  ASN 118           HB2      ASN 118  -5.702 -15.288  -0.232
  918    HB3  ASN 118           HB3      ASN 118  -6.829 -14.819   1.040
  919   HD21  ASN 118          HD22      ASN 118  -4.023 -13.674  -0.850
  920   HD22  ASN 118          HD21      ASN 118  -4.176 -11.992  -0.363
  921    H    GLU 119           H        GLU 119  -4.779 -17.963   1.327
  922    HA   GLU 119           HA       GLU 119  -6.927 -18.807   3.029
  923    HB2  GLU 119           HB2      GLU 119  -4.488 -20.462   2.254
  924    HB3  GLU 119           HB3      GLU 119  -5.991 -21.057   2.943
  925    HG2  GLU 119           HG2      GLU 119  -7.214 -20.235   0.918
  926    HG3  GLU 119           HG3      GLU 119  -5.663 -19.835   0.187
  927    H    LEU 120           H        LEU 120  -3.544 -18.014   3.709
  928    HA   LEU 120           HA       LEU 120  -3.647 -19.162   6.374
  929    HB2  LEU 120           HB2      LEU 120  -1.637 -17.170   5.311
  930    HB3  LEU 120           HB3      LEU 120  -1.429 -18.288   6.655
  931    HG   LEU 120           HG       LEU 120  -1.672 -19.003   3.708
  932   HD11  LEU 120          HD11      LEU 120   0.720 -19.684   3.973
  933   HD12  LEU 120          HD12      LEU 120   0.448 -17.953   4.177
  934   HD13  LEU 120          HD13      LEU 120   0.700 -18.995   5.601
  935   HD21  LEU 120          HD21      LEU 120  -2.572 -20.834   5.107
  936   HD22  LEU 120          HD22      LEU 120  -1.046 -21.284   4.349
  937   HD23  LEU 120          HD23      LEU 120  -1.070 -20.828   6.069
  938    H    ARG 121           H        ARG 121  -3.622 -15.832   4.961
  939    HA   ARG 121           HA       ARG 121  -3.844 -14.519   7.466
  940    HB2  ARG 121           HB2      ARG 121  -3.670 -13.798   4.684
  941    HB3  ARG 121           HB3      ARG 121  -5.039 -12.922   5.339
  942    HG2  ARG 121           HG2      ARG 121  -2.290 -12.946   6.663
  943    HG3  ARG 121           HG3      ARG 121  -2.762 -11.777   5.432
  944    HD2  ARG 121           HD2      ARG 121  -4.585 -10.951   6.776
  945    HD3  ARG 121           HD3      ARG 121  -4.248 -12.118   8.057
  946    HE   ARG 121           HE       ARG 121  -1.873 -10.948   7.993
  947   HH11  ARG 121          HH12      ARG 121  -5.074  -9.363   7.780
  948   HH12  ARG 121          HH11      ARG 121  -4.518  -7.847   8.413
  949   HH21  ARG 121          HH21      ARG 121  -1.161  -8.811   8.888
  950   HH22  ARG 121          HH22      ARG 121  -2.382  -7.657   9.222
  951    H    TYR 122           H        TYR 122  -6.352 -15.977   5.468
  952    HA   TYR 122           HA       TYR 122  -8.417 -14.716   7.231
  953    HB2  TYR 122           HB2      TYR 122  -8.332 -14.135   4.774
  954    HB3  TYR 122           HB3      TYR 122  -8.758 -15.800   4.422
  955    HD1  TYR 122           HD1      TYR 122 -11.035 -16.698   5.195
  956    HD2  TYR 122           HD2      TYR 122  -9.975 -12.523   5.425
  957    HE1  TYR 122           HE1      TYR 122 -13.415 -16.127   5.452
  958    HE2  TYR 122           HE2      TYR 122 -12.375 -11.945   5.679
  959    HH   TYR 122           HH       TYR 122 -14.976 -14.410   5.727
  960    H    GLY 123           H        GLY 123  -7.311 -17.861   5.935
  961    HA2  GLY 123           HA2      GLY 123  -7.889 -19.805   7.369
  962    HA3  GLY 123           HA3      GLY 123  -9.571 -19.237   7.331
  963    H    VAL 124           H        VAL 124  -9.686 -18.337   4.650
  964    HA   VAL 124           HA       VAL 124  -8.612 -20.213   2.778
  965    HB   VAL 124           HB       VAL 124 -10.531 -21.524   3.533
  966   HG11  VAL 124          HG11      VAL 124 -12.847 -20.844   3.209
  967   HG12  VAL 124          HG12      VAL 124 -12.048 -19.754   4.347
  968   HG13  VAL 124          HG13      VAL 124 -12.338 -19.232   2.673
  969   HG21  VAL 124          HG21      VAL 124 -11.562 -21.959   1.387
  970   HG22  VAL 124          HG22      VAL 124 -11.028 -20.389   0.760
  971   HG23  VAL 124          HG23      VAL 124  -9.834 -21.641   1.175
  972    H    ALA 125           H        ALA 125  -8.484 -19.033   0.740
  973    HA   ALA 125           HA       ALA 125  -8.716 -16.215   0.908
  974    HB1  ALA 125           HB1      ALA 125  -7.204 -17.413  -0.660
  975    HB2  ALA 125           HB2      ALA 125  -8.625 -17.963  -1.579
  976    HB3  ALA 125           HB3      ALA 125  -8.241 -16.235  -1.492
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1   7.590   4.493  -9.032
    2    H2   MET   1           H2       MET   1   7.822   2.870  -8.976
    3    H3   MET   1           H3       MET   1   6.315   3.462  -9.197
    4    HA   MET   1           HA       MET   1   7.957   3.774  -6.795
    5    HB2  MET   1           HB2      MET   1   6.136   4.850  -5.705
    6    HB3  MET   1           HB3      MET   1   6.453   5.728  -7.185
    7    HG2  MET   1           HG2      MET   1   4.197   3.714  -6.764
    8    HG3  MET   1           HG3      MET   1   4.037   5.451  -6.621
    9    HE1  MET   1           HE1      MET   1   5.366   6.848  -9.019
   10    HE2  MET   1           HE2      MET   1   4.063   6.793 -10.225
   11    HE3  MET   1           HE3      MET   1   3.679   7.115  -8.521
   12    H    ARG   2           H        ARG   2   6.994   2.660  -4.860
   13    HA   ARG   2           HA       ARG   2   5.033   0.560  -5.291
   14    HB2  ARG   2           HB2      ARG   2   7.902  -0.042  -4.394
   15    HB3  ARG   2           HB3      ARG   2   6.557  -1.105  -4.040
   16    HG2  ARG   2           HG2      ARG   2   7.607  -0.444  -6.814
   17    HG3  ARG   2           HG3      ARG   2   7.823  -1.946  -5.919
   18    HD2  ARG   2           HD2      ARG   2   5.368  -2.325  -5.944
   19    HD3  ARG   2           HD3      ARG   2   5.139  -0.868  -6.905
   20    HE   ARG   2           HE       ARG   2   6.071  -3.474  -7.773
   21   HH11  ARG   2          HH21      ARG   2   5.964  -0.018  -8.638
   22   HH12  ARG   2          HH22      ARG   2   6.153  -0.310 -10.333
   23   HH21  ARG   2          HH11      ARG   2   6.295  -3.843 -10.012
   24   HH22  ARG   2          HH12      ARG   2   6.383  -2.524 -11.123
   25    H    ALA   3           H        ALA   3   4.460  -0.345  -3.065
   26    HA   ALA   3           HA       ALA   3   4.100   1.779  -1.163
   27    HB1  ALA   3           HB1      ALA   3   3.196  -0.037   0.269
   28    HB2  ALA   3           HB2      ALA   3   2.536  -0.134  -1.374
   29    HB3  ALA   3           HB3      ALA   3   3.825  -1.249  -0.859
   30    HA   PRO   4           HA       PRO   4   8.000   1.348   0.977
   31    HB2  PRO   4           HB2      PRO   4   7.439   2.299   3.480
   32    HB3  PRO   4           HB3      PRO   4   7.433   3.337   2.028
   33    HG2  PRO   4           HG2      PRO   4   5.059   2.019   3.377
   34    HG3  PRO   4           HG3      PRO   4   5.238   3.728   2.876
   35    HD2  PRO   4           HD2      PRO   4   3.967   1.865   1.323
   36    HD3  PRO   4           HD3      PRO   4   4.924   3.193   0.602
   37    H    ILE   5           H        ILE   5   8.869   0.440   3.142
   38    HA   ILE   5           HA       ILE   5   7.424  -1.979   4.082
   39    HB   ILE   5           HB       ILE   5   9.687  -3.109   4.166
   40   HG12  ILE   5          HG12      ILE   5  10.532  -1.039   2.074
   41   HG13  ILE   5          HG13      ILE   5  11.047  -0.951   3.753
   42   HG21  ILE   5          HG21      ILE   5   9.522  -3.891   1.848
   43   HG22  ILE   5          HG22      ILE   5   7.906  -3.619   2.494
   44   HG23  ILE   5          HG23      ILE   5   8.622  -2.439   1.381
   45   HD11  ILE   5          HD11      ILE   5  11.684  -3.217   1.828
   46   HD12  ILE   5          HD12      ILE   5  12.785  -1.969   2.426
   47   HD13  ILE   5          HD13      ILE   5  12.133  -3.168   3.554
   48    HA   PRO   6           HA       PRO   6   8.907   1.271   7.057
   49    HB2  PRO   6           HB2      PRO   6   6.613   1.957   8.347
   50    HB3  PRO   6           HB3      PRO   6   6.986   2.524   6.688
   51    HG2  PRO   6           HG2      PRO   6   5.216   0.197   7.493
   52    HG3  PRO   6           HG3      PRO   6   4.876   1.505   6.318
   53    HD2  PRO   6           HD2      PRO   6   5.857  -0.968   5.574
   54    HD3  PRO   6           HD3      PRO   6   6.231   0.546   4.700
   55    H    GLU   7           H        GLU   7   6.650  -1.337   7.915
   56    HA   GLU   7           HA       GLU   7   8.333  -2.300  10.072
   57    HB2  GLU   7           HB2      GLU   7   6.519  -2.046  11.812
   58    HB3  GLU   7           HB3      GLU   7   7.421  -0.602  11.400
   59    HG2  GLU   7           HG2      GLU   7   5.611   0.339  10.142
   60    HG3  GLU   7           HG3      GLU   7   4.708  -1.172  10.149
   61    HA   PRO   8           HA       PRO   8   5.740  -5.605   7.959
   62    HB2  PRO   8           HB2      PRO   8   8.451  -6.884   8.196
   63    HB3  PRO   8           HB3      PRO   8   7.269  -6.998   6.860
   64    HG2  PRO   8           HG2      PRO   8   9.543  -5.470   6.693
   65    HG3  PRO   8           HG3      PRO   8   8.011  -4.948   5.939
   66    HD2  PRO   8           HD2      PRO   8   9.257  -4.003   8.504
   67    HD3  PRO   8           HD3      PRO   8   8.326  -3.098   7.268
   68    H    LYS   9           H        LYS   9   4.864  -7.260   9.317
   69    HA   LYS   9           HA       LYS   9   6.214  -7.836  11.896
   70    HB2  LYS   9           HB2      LYS   9   3.347  -6.911  11.519
   71    HB3  LYS   9           HB3      LYS   9   3.914  -7.747  12.969
   72    HG2  LYS   9           HG2      LYS   9   5.470  -6.002  13.520
   73    HG3  LYS   9           HG3      LYS   9   5.198  -5.159  12.001
   74    HD2  LYS   9           HD2      LYS   9   3.091  -5.571  14.155
   75    HD3  LYS   9           HD3      LYS   9   4.046  -4.104  13.955
   76    HE2  LYS   9           HE2      LYS   9   2.155  -5.241  11.842
   77    HE3  LYS   9           HE3      LYS   9   1.737  -3.967  12.984
   78    HZ1  LYS   9           HZ1      LYS   9   3.391  -2.546  12.018
   79    HZ2  LYS   9           HZ2      LYS   9   3.929  -3.716  10.993
   80    HZ3  LYS   9           HZ3      LYS   9   2.420  -3.101  10.826
   81    HA   PRO  10           HA       PRO  10   5.390 -11.979  10.578
   82    HB2  PRO  10           HB2      PRO  10   4.721 -12.439  13.495
   83    HB3  PRO  10           HB3      PRO  10   5.714 -13.454  12.393
   84    HG2  PRO  10           HG2      PRO  10   6.905 -11.777  14.154
   85    HG3  PRO  10           HG3      PRO  10   7.508 -11.861  12.465
   86    HD2  PRO  10           HD2      PRO  10   5.724  -9.780  13.719
   87    HD3  PRO  10           HD3      PRO  10   7.096  -9.589  12.583
   88    H    GLY  11           H        GLY  11   3.610 -13.110   9.778
   89    HA2  GLY  11           HA2      GLY  11   1.436 -13.851   9.675
   90    HA3  GLY  11           HA3      GLY  11   0.917 -12.642  10.859
   91    H    ASP  12           H        ASP  12   2.701 -10.609   8.982
   92    HA   ASP  12           HA       ASP  12   0.330  -9.727   7.533
   93    HB2  ASP  12           HB2      ASP  12   2.429  -8.362   8.451
   94    HB3  ASP  12           HB3      ASP  12   3.010  -8.628   6.797
   95    H    LEU  13           H        LEU  13   0.317  -9.406   5.175
   96    HA   LEU  13           HA       LEU  13   1.289 -11.835   3.742
   97    HB2  LEU  13           HB2      LEU  13  -0.427  -9.504   2.779
   98    HB3  LEU  13           HB3      LEU  13   0.168 -10.814   1.779
   99    HG   LEU  13           HG       LEU  13  -1.994 -10.975   3.900
  100   HD11  LEU  13          HD11      LEU  13  -2.554 -10.262   1.574
  101   HD12  LEU  13          HD12      LEU  13  -1.906 -11.795   0.978
  102   HD13  LEU  13          HD13      LEU  13  -3.316 -11.786   2.068
  103   HD21  LEU  13          HD21      LEU  13  -0.722 -12.936   4.367
  104   HD22  LEU  13          HD22      LEU  13  -2.001 -13.471   3.262
  105   HD23  LEU  13          HD23      LEU  13  -0.352 -13.189   2.652
  106    H    ILE  14           H        ILE  14   2.895 -11.716   2.281
  107    HA   ILE  14           HA       ILE  14   4.237  -9.097   1.809
  108    HB   ILE  14           HB       ILE  14   5.374 -11.919   1.909
  109   HG12  ILE  14          HG12      ILE  14   5.000 -11.132   4.152
  110   HG13  ILE  14          HG13      ILE  14   6.716 -11.239   3.805
  111   HG21  ILE  14          HG21      ILE  14   7.615 -10.790   1.587
  112   HG22  ILE  14          HG22      ILE  14   6.560 -10.726   0.173
  113   HG23  ILE  14          HG23      ILE  14   6.728  -9.299   1.191
  114   HD11  ILE  14          HD11      ILE  14   6.822  -8.765   3.512
  115   HD12  ILE  14          HD12      ILE  14   5.084  -8.665   3.885
  116   HD13  ILE  14          HD13      ILE  14   6.227  -9.232   5.113
  117    H    GLU  15           H        GLU  15   4.698  -8.704  -0.355
  118    HA   GLU  15           HA       GLU  15   4.006 -10.824  -2.284
  119    HB2  GLU  15           HB2      GLU  15   3.135  -9.324  -3.881
  120    HB3  GLU  15           HB3      GLU  15   2.132  -9.254  -2.430
  121    HG2  GLU  15           HG2      GLU  15   3.116  -7.138  -1.778
  122    HG3  GLU  15           HG3      GLU  15   4.321  -7.254  -3.083
  123    H    ILE  16           H        ILE  16   5.280 -10.702  -4.095
  124    HA   ILE  16           HA       ILE  16   8.035  -9.668  -3.630
  125    HB   ILE  16           HB       ILE  16   6.962 -12.347  -4.572
  126   HG12  ILE  16          HG12      ILE  16   6.671 -12.206  -2.163
  127   HG13  ILE  16          HG13      ILE  16   7.818 -13.435  -2.629
  128   HG21  ILE  16          HG21      ILE  16   9.849 -11.435  -4.278
  129   HG22  ILE  16          HG22      ILE  16   9.352 -13.125  -4.536
  130   HG23  ILE  16          HG23      ILE  16   9.007 -11.908  -5.763
  131   HD11  ILE  16          HD11      ILE  16   9.699 -11.929  -2.018
  132   HD12  ILE  16          HD12      ILE  16   8.522 -10.690  -1.536
  133   HD13  ILE  16          HD13      ILE  16   8.601 -12.232  -0.660
  134    H    PHE  17           H        PHE  17   8.335  -8.262  -5.324
  135    HA   PHE  17           HA       PHE  17   6.841  -8.685  -7.860
  136    HB2  PHE  17           HB2      PHE  17   8.259  -6.413  -6.693
  137    HB3  PHE  17           HB3      PHE  17   8.786  -6.736  -8.345
  138    HD1  PHE  17           HD1      PHE  17   5.869  -5.841  -6.215
  139    HD2  PHE  17           HD2      PHE  17   7.203  -6.699 -10.235
  140    HE1  PHE  17           HE1      PHE  17   3.718  -5.000  -7.121
  141    HE2  PHE  17           HE2      PHE  17   5.042  -5.867 -11.124
  142    HZ   PHE  17           HZ       PHE  17   3.301  -5.005  -9.569
  143    H    ARG  18           H        ARG  18   7.713  -9.528  -9.728
  144    HA   ARG  18           HA       ARG  18  10.466 -10.662  -9.593
  145    HB2  ARG  18           HB2      ARG  18   7.879 -11.634 -10.900
  146    HB3  ARG  18           HB3      ARG  18   9.434 -12.355 -11.233
  147    HG2  ARG  18           HG2      ARG  18   8.907 -12.234  -8.329
  148    HG3  ARG  18           HG3      ARG  18   7.617 -13.066  -9.194
  149    HD2  ARG  18           HD2      ARG  18   9.099 -14.673 -10.114
  150    HD3  ARG  18           HD3      ARG  18  10.530 -13.731  -9.707
  151    HE   ARG  18           HE       ARG  18  10.453 -14.384  -7.512
  152   HH11  ARG  18          HH21      ARG  18   7.806 -16.032  -9.258
  153   HH12  ARG  18          HH22      ARG  18   7.145 -16.727  -7.809
  154   HH21  ARG  18          HH11      ARG  18   9.739 -15.515  -5.712
  155   HH22  ARG  18          HH12      ARG  18   8.387 -16.597  -5.807
  156    HA   PRO  19           HA       PRO  19  11.616  -8.234 -12.946
  157    HB2  PRO  19           HB2      PRO  19  11.963 -10.589 -14.803
  158    HB3  PRO  19           HB3      PRO  19  13.097  -9.245 -14.463
  159    HG2  PRO  19           HG2      PRO  19  13.465 -11.647 -13.275
  160    HG3  PRO  19           HG3      PRO  19  13.627 -10.145 -12.306
  161    HD2  PRO  19           HD2      PRO  19  11.258 -12.016 -12.496
  162    HD3  PRO  19           HD3      PRO  19  12.002 -11.298 -11.039
  163    H    PHE  20           H        PHE  20   9.043 -10.471 -13.878
  164    HA   PHE  20           HA       PHE  20   7.895  -8.395 -15.667
  165    HB2  PHE  20           HB2      PHE  20   7.455 -10.050 -17.390
  166    HB3  PHE  20           HB3      PHE  20   9.170  -9.959 -17.065
  167    HD1  PHE  20           HD1      PHE  20  10.373 -11.848 -15.997
  168    HD2  PHE  20           HD2      PHE  20   6.147 -12.079 -16.835
  169    HE1  PHE  20           HE1      PHE  20  10.430 -14.298 -15.618
  170    HE2  PHE  20           HE2      PHE  20   6.211 -14.528 -16.461
  171    HZ   PHE  20           HZ       PHE  20   8.349 -15.644 -15.848
  172    H    TYR  21           H        TYR  21   7.274  -9.951 -12.882
  173    HA   TYR  21           HA       TYR  21   4.440  -9.922 -13.145
  174    HB2  TYR  21           HB2      TYR  21   3.843 -12.163 -12.898
  175    HB3  TYR  21           HB3      TYR  21   4.920 -12.120 -14.260
  176    HD1  TYR  21           HD1      TYR  21   7.562 -12.563 -13.511
  177    HD2  TYR  21           HD2      TYR  21   4.050 -13.980 -11.461
  178    HE1  TYR  21           HE1      TYR  21   8.805 -14.570 -12.778
  179    HE2  TYR  21           HE2      TYR  21   5.307 -15.926 -10.618
  180    HH   TYR  21           HH       TYR  21   8.683 -16.608 -11.641
  181    H    ARG  22           H        ARG  22   4.005 -11.731 -10.804
  182    HA   ARG  22           HA       ARG  22   5.553 -10.486  -8.671
  183    HB2  ARG  22           HB2      ARG  22   3.980  -8.729  -9.315
  184    HB3  ARG  22           HB3      ARG  22   2.626  -9.831  -9.244
  185    HG2  ARG  22           HG2      ARG  22   4.236  -9.389  -6.719
  186    HG3  ARG  22           HG3      ARG  22   3.270  -8.054  -7.322
  187    HD2  ARG  22           HD2      ARG  22   2.201 -10.813  -6.631
  188    HD3  ARG  22           HD3      ARG  22   2.010  -9.351  -5.667
  189    HE   ARG  22           HE       ARG  22   0.534 -10.091  -8.061
  190   HH11  ARG  22          HH11      ARG  22   1.475  -7.237  -6.065
  191   HH12  ARG  22          HH12      ARG  22   0.102  -6.333  -6.569
  192   HH21  ARG  22          HH21      ARG  22  -1.256  -8.820  -8.685
  193   HH22  ARG  22          HH22      ARG  22  -1.438  -7.215  -8.100
  194    H    HIS  23           H        HIS  23   5.102 -11.587  -6.664
  195    HA   HIS  23           HA       HIS  23   3.592 -14.135  -6.822
  196    HB2  HIS  23           HB2      HIS  23   5.944 -14.430  -7.528
  197    HB3  HIS  23           HB3      HIS  23   6.526 -13.686  -6.060
  198    HD2  HIS  23           HD2      HIS  23   6.638 -15.186  -3.848
  199    HE1  HIS  23           HE1      HIS  23   5.800 -18.880  -5.776
  200    HE2  HIS  23           HE2      HIS  23   6.727 -17.802  -3.669
  201    H    TRP  24           H        TRP  24   3.659 -15.079  -4.385
  202    HA   TRP  24           HA       TRP  24   3.340 -12.821  -2.478
  203    HB2  TRP  24           HB2      TRP  24   1.209 -14.821  -3.248
  204    HB3  TRP  24           HB3      TRP  24   1.195 -13.928  -1.752
  205    HD1  TRP  24           HD1      TRP  24   0.861 -13.310  -5.538
  206    HE1  TRP  24           HE1      TRP  24  -0.377 -11.106  -5.894
  207    HE3  TRP  24           HE3      TRP  24   0.646 -11.758  -0.696
  208    HZ2  TRP  24           HZ2      TRP  24  -1.343  -8.898  -4.255
  209    HZ3  TRP  24           HZ3      TRP  24  -0.465  -9.616  -0.102
  210    HH2  TRP  24           HH2      TRP  24  -1.471  -8.191  -1.863
  211    H    ALA  25           H        ALA  25   3.425 -13.382  -0.338
  212    HA   ALA  25           HA       ALA  25   4.222 -16.071   0.511
  213    HB1  ALA  25           HB1      ALA  25   6.331 -15.026  -0.318
  214    HB2  ALA  25           HB2      ALA  25   6.035 -13.602   0.684
  215    HB3  ALA  25           HB3      ALA  25   6.342 -15.174   1.446
  216    H    ILE  26           H        ILE  26   4.541 -15.920   3.020
  217    HA   ILE  26           HA       ILE  26   3.073 -13.631   4.213
  218    HB   ILE  26           HB       ILE  26   1.666 -15.675   3.785
  219   HG12  ILE  26          HG12      ILE  26   1.921 -14.926   6.734
  220   HG13  ILE  26          HG13      ILE  26   1.202 -13.893   5.486
  221   HG21  ILE  26          HG21      ILE  26   3.323 -17.422   4.268
  222   HG22  ILE  26          HG22      ILE  26   3.277 -16.993   5.995
  223   HG23  ILE  26          HG23      ILE  26   1.849 -17.644   5.186
  224   HD11  ILE  26          HD11      ILE  26  -0.637 -15.062   6.417
  225   HD12  ILE  26          HD12      ILE  26  -0.306 -15.845   4.855
  226   HD13  ILE  26          HD13      ILE  26   0.223 -16.622   6.360
  227    H    TYR  27           H        TYR  27   4.011 -12.876   6.069
  228    HA   TYR  27           HA       TYR  27   6.751 -13.744   6.549
  229    HB2  TYR  27           HB2      TYR  27   5.662 -11.347   6.416
  230    HB3  TYR  27           HB3      TYR  27   5.121 -11.662   8.044
  231    HD1  TYR  27           HD1      TYR  27   8.520 -12.554   6.575
  232    HD2  TYR  27           HD2      TYR  27   6.233  -9.863   9.003
  233    HE1  TYR  27           HE1      TYR  27  10.598 -11.444   7.271
  234    HE2  TYR  27           HE2      TYR  27   8.327  -8.795   9.823
  235    HH   TYR  27           HH       TYR  27  10.655  -8.729   9.626
  236    H    VAL  28           H        VAL  28   7.437 -14.937   8.320
  237    HA   VAL  28           HA       VAL  28   5.345 -15.782  10.290
  238    HB   VAL  28           HB       VAL  28   6.207 -18.079  10.145
  239   HG11  VAL  28          HG11      VAL  28   5.257 -17.091   7.435
  240   HG12  VAL  28          HG12      VAL  28   5.061 -18.706   8.142
  241   HG13  VAL  28          HG13      VAL  28   4.208 -17.328   8.848
  242   HG21  VAL  28          HG21      VAL  28   7.709 -17.240   7.637
  243   HG22  VAL  28          HG22      VAL  28   8.487 -17.535   9.208
  244   HG23  VAL  28          HG23      VAL  28   7.636 -18.847   8.386
  245    H    GLY  29           H        GLY  29   8.217 -14.184  10.115
  246    HA2  GLY  29           HA2      GLY  29   8.689 -14.374  12.916
  247    HA3  GLY  29           HA3      GLY  29   9.930 -15.278  12.014
  248    H    ASP  30           H        ASP  30  11.139 -13.328  13.132
  249    HA   ASP  30           HA       ASP  30  10.900 -10.745  11.836
  250    HB2  ASP  30           HB2      ASP  30  11.503 -11.037  14.219
  251    HB3  ASP  30           HB3      ASP  30  12.998 -11.845  13.743
  252    H    GLY  31           H        GLY  31  11.221 -12.535   9.811
  253    HA2  GLY  31           HA2      GLY  31  13.075 -11.538   8.149
  254    HA3  GLY  31           HA3      GLY  31  14.021 -12.793   8.966
  255    H    TYR  32           H        TYR  32  11.678 -14.682   9.231
  256    HA   TYR  32           HA       TYR  32  12.093 -15.816   6.550
  257    HB2  TYR  32           HB2      TYR  32  11.003 -16.938   9.145
  258    HB3  TYR  32           HB3      TYR  32  10.962 -17.823   7.626
  259    HD1  TYR  32           HD1      TYR  32  13.000 -18.597   6.499
  260    HD2  TYR  32           HD2      TYR  32  13.182 -16.543  10.294
  261    HE1  TYR  32           HE1      TYR  32  15.351 -19.321   6.773
  262    HE2  TYR  32           HE2      TYR  32  15.530 -17.265  10.578
  263    HH   TYR  32           HH       TYR  32  17.318 -18.442   9.653
  264    H    VAL  33           H        VAL  33  10.500 -16.678   5.227
  265    HA   VAL  33           HA       VAL  33   7.707 -15.836   5.709
  266    HB   VAL  33           HB       VAL  33   7.535 -15.551   3.205
  267   HG11  VAL  33          HG11      VAL  33   7.464 -13.587   4.558
  268   HG12  VAL  33          HG12      VAL  33   9.242 -13.557   4.699
  269   HG13  VAL  33          HG13      VAL  33   8.445 -13.249   3.137
  270   HG21  VAL  33          HG21      VAL  33   9.662 -16.634   2.517
  271   HG22  VAL  33          HG22      VAL  33   9.510 -14.990   1.885
  272   HG23  VAL  33          HG23      VAL  33  10.570 -15.312   3.272
  273    H    VAL  34           H        VAL  34   6.160 -17.203   4.718
  274    HA   VAL  34           HA       VAL  34   7.104 -19.847   3.735
  275    HB   VAL  34           HB       VAL  34   4.651 -18.961   5.288
  276   HG11  VAL  34          HG11      VAL  34   4.947 -21.545   3.718
  277   HG12  VAL  34          HG12      VAL  34   3.709 -21.249   4.959
  278   HG13  VAL  34          HG13      VAL  34   3.712 -20.280   3.482
  279   HG21  VAL  34          HG21      VAL  34   6.683 -19.706   6.500
  280   HG22  VAL  34          HG22      VAL  34   5.285 -20.761   6.792
  281   HG23  VAL  34          HG23      VAL  34   6.567 -21.279   5.682
  282    H    HIS  35           H        HIS  35   6.454 -20.330   1.604
  283    HA   HIS  35           HA       HIS  35   4.483 -18.694   0.233
  284    HB2  HIS  35           HB2      HIS  35   5.854 -17.490  -1.215
  285    HB3  HIS  35           HB3      HIS  35   6.624 -17.265   0.346
  286    HD2  HIS  35           HD2      HIS  35   8.503 -19.863   0.474
  287    HE1  HIS  35           HE1      HIS  35  10.095 -18.448  -3.210
  288    HE2  HIS  35           HE2      HIS  35  10.543 -19.930  -1.213
  289    H    LEU  36           H        LEU  36   4.636 -19.275  -2.282
  290    HA   LEU  36           HA       LEU  36   4.876 -22.219  -2.436
  291    HB2  LEU  36           HB2      LEU  36   3.829 -20.099  -4.352
  292    HB3  LEU  36           HB3      LEU  36   4.143 -21.754  -4.843
  293    HG   LEU  36           HG       LEU  36   1.795 -21.441  -4.473
  294   HD11  LEU  36          HD11      LEU  36   2.957 -23.206  -2.268
  295   HD12  LEU  36          HD12      LEU  36   1.344 -23.320  -2.979
  296   HD13  LEU  36          HD13      LEU  36   2.771 -23.673  -3.968
  297   HD21  LEU  36          HD21      LEU  36   2.369 -20.902  -1.535
  298   HD22  LEU  36          HD22      LEU  36   1.963 -19.645  -2.730
  299   HD23  LEU  36          HD23      LEU  36   0.811 -20.945  -2.373
  300    H    ALA  37           H        ALA  37   6.309 -23.263  -3.785
  301    HA   ALA  37           HA       ALA  37   8.290 -21.756  -5.373
  302    HB1  ALA  37           HB1      ALA  37   9.318 -22.075  -3.144
  303    HB2  ALA  37           HB2      ALA  37   8.910 -23.805  -3.197
  304    HB3  ALA  37           HB3      ALA  37  10.106 -23.134  -4.324
  305    HA   PRO  38           HA       PRO  38   7.720 -25.225  -8.185
  306    HB2  PRO  38           HB2      PRO  38  10.701 -25.717  -8.006
  307    HB3  PRO  38           HB3      PRO  38   9.662 -25.650  -9.464
  308    HG2  PRO  38           HG2      PRO  38  11.193 -23.521  -8.817
  309    HG3  PRO  38           HG3      PRO  38   9.493 -23.264  -9.324
  310    HD2  PRO  38           HD2      PRO  38  10.619 -23.337  -6.514
  311    HD3  PRO  38           HD3      PRO  38   9.473 -22.167  -7.233
  312    HA   PRO  39           HA       PRO  39   7.724 -28.832  -5.529
  313    HB2  PRO  39           HB2      PRO  39   7.453 -30.929  -7.272
  314    HB3  PRO  39           HB3      PRO  39   6.135 -29.767  -6.924
  315    HG2  PRO  39           HG2      PRO  39   8.079 -29.748  -9.239
  316    HG3  PRO  39           HG3      PRO  39   6.300 -29.548  -9.289
  317    HD2  PRO  39           HD2      PRO  39   8.025 -27.422  -9.333
  318    HD3  PRO  39           HD3      PRO  39   6.438 -27.329  -8.514
  319    H    SER  40           H        SER  40   9.006 -30.844  -5.051
  320    HA   SER  40           HA       SER  40  11.018 -31.605  -4.356
  321    HB2  SER  40           HB2      SER  40  11.979 -31.099  -7.198
  322    HB3  SER  40           HB3      SER  40  12.669 -32.212  -6.008
  323    HG   SER  40           HG       SER  40  11.306 -33.282  -7.501
  324    H    GLU  41           H        GLU  41  13.763 -30.634  -5.053
  325    HA   GLU  41           HA       GLU  41  13.623 -27.785  -5.066
  326    HB2  GLU  41           HB2      GLU  41  15.125 -27.515  -3.012
  327    HB3  GLU  41           HB3      GLU  41  13.408 -27.641  -2.773
  328    HG2  GLU  41           HG2      GLU  41  15.182 -30.099  -2.519
  329    HG3  GLU  41           HG3      GLU  41  15.060 -28.927  -1.213
  330    H    VAL  42           H        VAL  42  15.573 -26.806  -5.455
  331    HA   VAL  42           HA       VAL  42  18.095 -28.142  -5.698
  332    HB   VAL  42           HB       VAL  42  18.386 -27.279  -8.082
  333   HG11  VAL  42          HG11      VAL  42  17.615 -29.272  -9.180
  334   HG12  VAL  42          HG12      VAL  42  18.196 -29.709  -7.565
  335   HG13  VAL  42          HG13      VAL  42  16.451 -29.616  -7.890
  336   HG21  VAL  42          HG21      VAL  42  15.348 -27.458  -8.287
  337   HG22  VAL  42          HG22      VAL  42  16.242 -25.930  -8.162
  338   HG23  VAL  42          HG23      VAL  42  16.516 -26.997  -9.542
  339    H    ALA  43           H        ALA  43  19.622 -26.251  -6.592
  340    HA   ALA  43           HA       ALA  43  19.661 -24.170  -4.805
  341    HB1  ALA  43           HB1      ALA  43  20.762 -24.294  -7.643
  342    HB2  ALA  43           HB2      ALA  43  21.304 -23.158  -6.384
  343    HB3  ALA  43           HB3      ALA  43  21.557 -24.903  -6.174
  344    H    GLY  44           H        GLY  44  17.895 -24.178  -7.905
  345    HA2  GLY  44           HA2      GLY  44  17.174 -21.306  -7.558
  346    HA3  GLY  44           HA3      GLY  44  17.117 -22.233  -9.054
  347    H    ALA  45           H        ALA  45  15.816 -23.976  -6.347
  348    HA   ALA  45           HA       ALA  45  13.086 -23.693  -7.410
  349    HB1  ALA  45           HB1      ALA  45  13.904 -25.930  -6.822
  350    HB2  ALA  45           HB2      ALA  45  14.174 -25.397  -5.136
  351    HB3  ALA  45           HB3      ALA  45  12.530 -25.464  -5.806
  352    H    GLY  46           H        GLY  46  13.431 -21.310  -6.839
  353    HA2  GLY  46           HA2      GLY  46  12.044 -20.544  -4.407
  354    HA3  GLY  46           HA3      GLY  46  13.780 -20.159  -4.386
  355    H    ALA  47           H        ALA  47  13.766 -17.940  -4.776
  356    HA   ALA  47           HA       ALA  47  12.000 -16.440  -6.296
  357    HB1  ALA  47           HB1      ALA  47  13.859 -14.767  -6.392
  358    HB2  ALA  47           HB2      ALA  47  13.623 -15.453  -4.777
  359    HB3  ALA  47           HB3      ALA  47  14.977 -16.002  -5.795
  360    H    ALA  48           H        ALA  48  14.783 -18.307  -7.520
  361    HA   ALA  48           HA       ALA  48  14.850 -17.051 -10.102
  362    HB1  ALA  48           HB1      ALA  48  16.786 -18.235  -9.116
  363    HB2  ALA  48           HB2      ALA  48  15.897 -19.774  -9.221
  364    HB3  ALA  48           HB3      ALA  48  16.348 -18.905 -10.698
  365    H    SER  49           H        SER  49  12.624 -19.369  -8.777
  366    HA   SER  49           HA       SER  49  11.315 -21.004  -9.617
  367    HB2  SER  49           HB2      SER  49  10.771 -18.820 -11.659
  368    HB3  SER  49           HB3      SER  49   9.683 -20.149 -11.219
  369    HG   SER  49           HG       SER  49   9.155 -18.252 -10.101
  370    H    VAL  50           H        VAL  50  13.770 -21.818 -10.295
  371    HA   VAL  50           HA       VAL  50  14.448 -21.854 -13.002
  372    HB   VAL  50           HB       VAL  50  15.889 -22.290 -11.003
  373   HG11  VAL  50          HG11      VAL  50  14.953 -25.178 -11.225
  374   HG12  VAL  50          HG12      VAL  50  16.185 -24.524 -10.135
  375   HG13  VAL  50          HG13      VAL  50  14.478 -24.076  -9.928
  376   HG21  VAL  50          HG21      VAL  50  16.709 -22.630 -13.312
  377   HG22  VAL  50          HG22      VAL  50  17.486 -23.691 -12.130
  378   HG23  VAL  50          HG23      VAL  50  16.249 -24.347 -13.211
  379    H    MET  51           H        MET  51  14.448 -23.514 -14.605
  380    HA   MET  51           HA       MET  51  11.922 -24.617 -15.077
  381    HB2  MET  51           HB2      MET  51  14.580 -25.317 -16.403
  382    HB3  MET  51           HB3      MET  51  12.973 -25.680 -17.030
  383    HG2  MET  51           HG2      MET  51  13.628 -23.792 -18.217
  384    HG3  MET  51           HG3      MET  51  12.495 -23.183 -17.015
  385    HE1  MET  51           HE1      MET  51  14.925 -20.159 -17.537
  386    HE2  MET  51           HE2      MET  51  14.338 -21.309 -18.758
  387    HE3  MET  51           HE3      MET  51  13.234 -20.708 -17.499
  388    H    SER  52           H        SER  52  14.621 -26.077 -13.320
  389    HA   SER  52           HA       SER  52  14.156 -28.785 -13.724
  390    HB2  SER  52           HB2      SER  52  14.920 -27.540 -11.069
  391    HB3  SER  52           HB3      SER  52  15.423 -29.103 -11.736
  392    HG   SER  52           HG       SER  52  17.084 -27.599 -12.019
  393    H    ALA  53           H        ALA  53  12.414 -29.995 -13.378
  394    HA   ALA  53           HA       ALA  53  10.385 -30.691 -12.848
  395    HB1  ALA  53           HB1      ALA  53  11.559 -31.259 -10.739
  396    HB2  ALA  53           HB2      ALA  53  10.988 -29.727 -10.033
  397    HB3  ALA  53           HB3      ALA  53   9.825 -30.976 -10.514
  398    H    LEU  54           H        LEU  54  10.682 -27.635 -13.532
  399    HA   LEU  54           HA       LEU  54   8.351 -26.405 -12.383
  400    HB2  LEU  54           HB2      LEU  54  10.142 -25.115 -13.497
  401    HB3  LEU  54           HB3      LEU  54   9.760 -25.899 -15.036
  402    HG   LEU  54           HG       LEU  54   7.515 -24.860 -15.032
  403   HD11  LEU  54          HD11      LEU  54   8.445 -23.502 -12.457
  404   HD12  LEU  54          HD12      LEU  54   7.026 -23.016 -13.407
  405   HD13  LEU  54          HD13      LEU  54   7.055 -24.598 -12.637
  406   HD21  LEU  54          HD21      LEU  54   9.425 -23.723 -16.111
  407   HD22  LEU  54          HD22      LEU  54   8.272 -22.554 -15.455
  408   HD23  LEU  54          HD23      LEU  54   9.792 -22.875 -14.591
  409    H    THR  55           H        THR  55   6.282 -26.959 -12.758
  410    HA   THR  55           HA       THR  55   5.363 -28.437 -15.100
  411    HB   THR  55           HB       THR  55   4.422 -30.156 -13.384
  412    HG1  THR  55           HG1      THR  55   6.709 -29.344 -11.913
  413   HG21  THR  55          HG21      THR  55   6.143 -30.769 -15.055
  414   HG22  THR  55          HG22      THR  55   7.414 -30.316 -13.900
  415   HG23  THR  55          HG23      THR  55   6.308 -31.651 -13.527
  416    H    ASP  56           H        ASP  56   2.839 -28.991 -14.253
  417    HA   ASP  56           HA       ASP  56   1.779 -26.381 -13.639
  418    HB2  ASP  56           HB2      ASP  56  -0.327 -27.232 -14.215
  419    HB3  ASP  56           HB3      ASP  56   0.810 -27.943 -15.359
  420    H    LYS  57           H        LYS  57   3.301 -27.565 -11.568
  421    HA   LYS  57           HA       LYS  57   1.360 -27.885  -9.313
  422    HB2  LYS  57           HB2      LYS  57   3.920 -29.407  -9.976
  423    HB3  LYS  57           HB3      LYS  57   3.166 -29.469  -8.384
  424    HG2  LYS  57           HG2      LYS  57   1.284 -30.590  -9.115
  425    HG3  LYS  57           HG3      LYS  57   1.530 -30.179 -10.826
  426    HD2  LYS  57           HD2      LYS  57   3.568 -31.552 -10.900
  427    HD3  LYS  57           HD3      LYS  57   3.326 -32.025  -9.199
  428    HE2  LYS  57           HE2      LYS  57   1.139 -33.044  -9.800
  429    HE3  LYS  57           HE3      LYS  57   1.368 -32.557 -11.485
  430    HZ1  LYS  57           HZ1      LYS  57   1.984 -34.863 -11.137
  431    HZ2  LYS  57           HZ2      LYS  57   3.305 -34.018 -11.573
  432    HZ3  LYS  57           HZ3      LYS  57   3.095 -34.468 -10.014
  433    H    ALA  58           H        ALA  58   2.331 -27.452  -7.268
  434    HA   ALA  58           HA       ALA  58   4.972 -26.167  -7.150
  435    HB1  ALA  58           HB1      ALA  58   4.199 -24.118  -6.005
  436    HB2  ALA  58           HB2      ALA  58   3.565 -24.215  -7.654
  437    HB3  ALA  58           HB3      ALA  58   2.510 -24.584  -6.283
  438    H    ILE  59           H        ILE  59   5.449 -25.576  -4.743
  439    HA   ILE  59           HA       ILE  59   4.063 -27.334  -2.815
  440    HB   ILE  59           HB       ILE  59   6.985 -27.464  -3.616
  441   HG12  ILE  59          HG12      ILE  59   4.847 -29.472  -2.883
  442   HG13  ILE  59          HG13      ILE  59   5.437 -29.135  -4.514
  443   HG21  ILE  59          HG21      ILE  59   7.099 -26.977  -1.192
  444   HG22  ILE  59          HG22      ILE  59   5.942 -28.293  -0.869
  445   HG23  ILE  59          HG23      ILE  59   7.564 -28.634  -1.499
  446   HD11  ILE  59          HD11      ILE  59   6.789 -30.641  -2.264
  447   HD12  ILE  59          HD12      ILE  59   6.404 -31.197  -3.899
  448   HD13  ILE  59          HD13      ILE  59   7.716 -30.021  -3.648
  449    H    VAL  60           H        VAL  60   4.264 -26.593  -0.692
  450    HA   VAL  60           HA       VAL  60   4.726 -23.660  -0.487
  451    HB   VAL  60           HB       VAL  60   3.724 -25.663   1.583
  452   HG11  VAL  60          HG11      VAL  60   2.959 -23.707   2.827
  453   HG12  VAL  60          HG12      VAL  60   4.687 -23.533   2.518
  454   HG13  VAL  60          HG13      VAL  60   3.527 -22.612   1.543
  455   HG21  VAL  60          HG21      VAL  60   2.107 -25.500  -0.313
  456   HG22  VAL  60          HG22      VAL  60   1.473 -24.791   1.168
  457   HG23  VAL  60          HG23      VAL  60   2.076 -23.731  -0.118
  458    H    LYS  61           H        LYS  61   6.642 -22.876   0.367
  459    HA   LYS  61           HA       LYS  61   8.411 -24.711   1.922
  460    HB2  LYS  61           HB2      LYS  61   9.201 -22.875  -0.390
  461    HB3  LYS  61           HB3      LYS  61  10.357 -23.464   0.812
  462    HG2  LYS  61           HG2      LYS  61   9.646 -25.805   0.298
  463    HG3  LYS  61           HG3      LYS  61   8.703 -25.160  -1.073
  464    HD2  LYS  61           HD2      LYS  61  10.995 -24.024  -1.745
  465    HD3  LYS  61           HD3      LYS  61  11.718 -25.213  -0.665
  466    HE2  LYS  61           HE2      LYS  61   9.999 -25.760  -3.133
  467    HE3  LYS  61           HE3      LYS  61  11.742 -25.968  -3.011
  468    HZ1  LYS  61           HZ1      LYS  61  10.593 -28.031  -2.828
  469    HZ2  LYS  61           HZ2      LYS  61  11.379 -27.790  -1.440
  470    HZ3  LYS  61           HZ3      LYS  61   9.748 -27.556  -1.493
  471    H    LYS  62           H        LYS  62  10.091 -23.408   3.065
  472    HA   LYS  62           HA       LYS  62   9.095 -20.745   3.935
  473    HB2  LYS  62           HB2      LYS  62   8.514 -22.333   5.731
  474    HB3  LYS  62           HB3      LYS  62  10.161 -22.968   5.735
  475    HG2  LYS  62           HG2      LYS  62  11.010 -20.735   6.461
  476    HG3  LYS  62           HG3      LYS  62   9.348 -20.119   6.484
  477    HD2  LYS  62           HD2      LYS  62   8.742 -21.674   8.264
  478    HD3  LYS  62           HD3      LYS  62  10.321 -22.485   8.143
  479    HE2  LYS  62           HE2      LYS  62  11.458 -20.367   8.783
  480    HE3  LYS  62           HE3      LYS  62   9.885 -19.573   8.948
  481    HZ1  LYS  62           HZ1      LYS  62   9.345 -21.076  10.749
  482    HZ2  LYS  62           HZ2      LYS  62  10.758 -21.900  10.563
  483    HZ3  LYS  62           HZ3      LYS  62  10.773 -20.352  11.075
  484    H    GLU  63           H        GLU  63  10.733 -19.212   3.857
  485    HA   GLU  63           HA       GLU  63  13.547 -20.021   3.608
  486    HB2  GLU  63           HB2      GLU  63  11.990 -18.705   1.326
  487    HB3  GLU  63           HB3      GLU  63  13.754 -18.763   1.437
  488    HG2  GLU  63           HG2      GLU  63  13.588 -21.294   1.535
  489    HG3  GLU  63           HG3      GLU  63  11.868 -21.133   1.151
  490    H    LEU  64           H        LEU  64  14.938 -18.060   3.574
  491    HA   LEU  64           HA       LEU  64  13.957 -16.041   5.398
  492    HB2  LEU  64           HB2      LEU  64  16.302 -17.011   5.330
  493    HB3  LEU  64           HB3      LEU  64  16.553 -16.169   3.798
  494    HG   LEU  64           HG       LEU  64  16.261 -13.991   4.946
  495   HD11  LEU  64          HD11      LEU  64  16.264 -13.885   7.427
  496   HD12  LEU  64          HD12      LEU  64  14.799 -14.667   6.837
  497   HD13  LEU  64          HD13      LEU  64  16.103 -15.653   7.508
  498   HD21  LEU  64          HD21      LEU  64  18.391 -14.025   6.146
  499   HD22  LEU  64          HD22      LEU  64  18.291 -15.787   6.357
  500   HD23  LEU  64          HD23      LEU  64  18.520 -15.100   4.745
  501    H    LEU  65           H        LEU  65  13.121 -14.029   4.860
  502    HA   LEU  65           HA       LEU  65  11.911 -13.680   2.417
  503    HB2  LEU  65           HB2      LEU  65  11.254 -12.561   4.472
  504    HB3  LEU  65           HB3      LEU  65  12.677 -11.533   4.446
  505    HG   LEU  65           HG       LEU  65  10.752 -11.494   2.096
  506   HD11  LEU  65          HD11      LEU  65  10.383  -9.936   4.701
  507   HD12  LEU  65          HD12      LEU  65   9.437  -9.720   3.212
  508   HD13  LEU  65          HD13      LEU  65   9.328 -11.229   4.115
  509   HD21  LEU  65          HD21      LEU  65  12.402  -9.273   3.423
  510   HD22  LEU  65          HD22      LEU  65  12.844 -10.087   1.917
  511   HD23  LEU  65          HD23      LEU  65  11.393  -9.113   1.973
  512    H    TYR  66           H        TYR  66  15.100 -12.342   3.362
  513    HA   TYR  66           HA       TYR  66  15.367 -10.527   1.271
  514    HB2  TYR  66           HB2      TYR  66  17.317 -10.114   2.199
  515    HB3  TYR  66           HB3      TYR  66  16.949 -11.344   3.386
  516    HD1  TYR  66           HD2      TYR  66  17.881 -13.672   3.096
  517    HD2  TYR  66           HD1      TYR  66  18.995 -10.428   0.502
  518    HE1  TYR  66           HE2      TYR  66  19.842 -14.984   2.335
  519    HE2  TYR  66           HE1      TYR  66  20.972 -11.719  -0.277
  520    HH   TYR  66           HH       TYR  66  21.715 -15.022   0.944
  521    H    ASP  67           H        ASP  67  15.870 -14.066   1.149
  522    HA   ASP  67           HA       ASP  67  17.172 -14.011  -1.449
  523    HB2  ASP  67           HB2      ASP  67  17.495 -15.894   0.092
  524    HB3  ASP  67           HB3      ASP  67  15.766 -16.264   0.039
  525    H    VAL  68           H        VAL  68  13.839 -14.513  -0.235
  526    HA   VAL  68           HA       VAL  68  12.703 -15.162  -2.773
  527    HB   VAL  68           HB       VAL  68  11.246 -13.995  -0.360
  528   HG11  VAL  68          HG11      VAL  68  10.380 -15.946  -2.549
  529   HG12  VAL  68          HG12      VAL  68   9.358 -15.305  -1.242
  530   HG13  VAL  68          HG13      VAL  68   9.970 -14.231  -2.508
  531   HG21  VAL  68          HG21      VAL  68  10.863 -16.416   0.283
  532   HG22  VAL  68          HG22      VAL  68  12.104 -16.882  -0.890
  533   HG23  VAL  68          HG23      VAL  68  12.524 -15.879   0.517
  534    H    ALA  69           H        ALA  69  12.930 -12.089  -0.918
  535    HA   ALA  69           HA       ALA  69  11.653 -10.400  -2.821
  536    HB1  ALA  69           HB1      ALA  69  12.052  -9.725  -0.504
  537    HB2  ALA  69           HB2      ALA  69  13.815  -9.834  -0.741
  538    HB3  ALA  69           HB3      ALA  69  12.880  -8.603  -1.608
  539    H    GLY  70           H        GLY  70  14.841 -11.863  -2.788
  540    HA2  GLY  70           HA2      GLY  70  16.283 -10.214  -4.549
  541    HA3  GLY  70           HA3      GLY  70  16.486 -11.961  -4.321
  542    H    SER  71           H        SER  71  13.415 -12.054  -5.228
  543    HA   SER  71           HA       SER  71  13.617 -12.701  -7.937
  544    HB2  SER  71           HB2      SER  71  11.306 -11.419  -6.428
  545    HB3  SER  71           HB3      SER  71  11.199 -12.239  -7.991
  546    HG   SER  71           HG       SER  71  11.773 -13.321  -5.426
  547    H    ASP  72           H        ASP  72  12.727  -9.539  -6.496
  548    HA   ASP  72           HA       ASP  72  14.325  -8.017  -8.276
  549    HB2  ASP  72           HB2      ASP  72  12.383  -8.442  -9.832
  550    HB3  ASP  72           HB3      ASP  72  11.344  -7.693  -8.618
  551    H    LYS  73           H        LYS  73  11.369  -7.932  -6.350
  552    HA   LYS  73           HA       LYS  73  12.325  -5.875  -4.483
  553    HB2  LYS  73           HB2      LYS  73  10.438  -5.477  -6.820
  554    HB3  LYS  73           HB3      LYS  73  10.107  -4.594  -5.305
  555    HG2  LYS  73           HG2      LYS  73  12.602  -3.833  -5.521
  556    HG3  LYS  73           HG3      LYS  73  12.448  -4.368  -7.199
  557    HD2  LYS  73           HD2      LYS  73  10.733  -2.279  -5.784
  558    HD3  LYS  73           HD3      LYS  73  12.037  -1.923  -6.904
  559    HE2  LYS  73           HE2      LYS  73   9.484  -3.434  -7.645
  560    HE3  LYS  73           HE3      LYS  73   9.727  -1.698  -7.858
  561    HZ1  LYS  73           HZ1      LYS  73  10.196  -2.822  -9.900
  562    HZ2  LYS  73           HZ2      LYS  73  11.606  -2.230  -9.336
  563    HZ3  LYS  73           HZ3      LYS  73  11.270  -3.837  -9.213
  564    H    TYR  74           H        TYR  74  10.257  -5.348  -2.986
  565    HA   TYR  74           HA       TYR  74   8.159  -7.329  -3.107
  566    HB2  TYR  74           HB2      TYR  74   8.507  -8.479  -1.128
  567    HB3  TYR  74           HB3      TYR  74  10.066  -8.491  -1.869
  568    HD1  TYR  74           HD2      TYR  74  11.816  -6.689  -0.977
  569    HD2  TYR  74           HD1      TYR  74   8.130  -7.633   1.050
  570    HE1  TYR  74           HE2      TYR  74  12.775  -5.867   1.153
  571    HE2  TYR  74           HE1      TYR  74   9.072  -6.819   3.178
  572    HH   TYR  74           HH       TYR  74  10.959  -5.971   4.256
  573    H    GLN  75           H        GLN  75   6.568  -6.955  -1.265
  574    HA   GLN  75           HA       GLN  75   6.587  -4.266  -0.080
  575    HB2  GLN  75           HB2      GLN  75   4.075  -5.125  -1.533
  576    HB3  GLN  75           HB3      GLN  75   4.551  -3.537  -0.976
  577    HG2  GLN  75           HG2      GLN  75   6.268  -3.478  -2.835
  578    HG3  GLN  75           HG3      GLN  75   5.615  -5.013  -3.426
  579   HE21  GLN  75          HE22      GLN  75   3.583  -4.967  -4.684
  580   HE22  GLN  75          HE21      GLN  75   2.822  -3.439  -5.018
  581    H    VAL  76           H        VAL  76   4.686  -4.142   1.513
  582    HA   VAL  76           HA       VAL  76   3.866  -6.820   2.577
  583    HB   VAL  76           HB       VAL  76   3.906  -4.151   4.050
  584   HG11  VAL  76          HG11      VAL  76   2.288  -5.822   4.889
  585   HG12  VAL  76          HG12      VAL  76   3.579  -7.030   5.012
  586   HG13  VAL  76          HG13      VAL  76   3.603  -5.582   6.044
  587   HG21  VAL  76          HG21      VAL  76   5.821  -5.027   5.337
  588   HG22  VAL  76          HG22      VAL  76   5.960  -6.395   4.210
  589   HG23  VAL  76          HG23      VAL  76   6.244  -4.735   3.651
  590    H    ASN  77           H        ASN  77   1.611  -7.184   2.355
  591    HA   ASN  77           HA       ASN  77  -0.173  -4.933   1.763
  592    HB2  ASN  77           HB2      ASN  77   1.099  -5.236  -0.378
  593    HB3  ASN  77           HB3      ASN  77   0.497  -6.887  -0.471
  594   HD21  ASN  77          HD22      ASN  77  -0.252  -5.893  -2.612
  595   HD22  ASN  77          HD21      ASN  77  -1.838  -5.122  -2.622
  596    H    ASN  78           H        ASN  78  -0.882  -6.317   3.821
  597    HA   ASN  78           HA       ASN  78  -2.483  -8.639   3.312
  598    HB2  ASN  78           HB2      ASN  78  -3.803  -7.964   5.312
  599    HB3  ASN  78           HB3      ASN  78  -2.092  -8.186   5.593
  600   HD21  ASN  78          HD22      ASN  78  -0.836  -6.465   6.328
  601   HD22  ASN  78          HD21      ASN  78  -1.515  -4.888   6.717
  602    H    LYS  79           H        LYS  79  -4.337  -8.861   2.313
  603    HA   LYS  79           HA       LYS  79  -4.966  -6.853   0.436
  604    HB2  LYS  79           HB2      LYS  79  -5.137  -9.483   0.313
  605    HB3  LYS  79           HB3      LYS  79  -6.769  -9.244   0.921
  606    HG2  LYS  79           HG2      LYS  79  -7.051  -9.286  -1.398
  607    HG3  LYS  79           HG3      LYS  79  -7.036  -7.551  -1.054
  608    HD2  LYS  79           HD2      LYS  79  -4.598  -7.494  -1.710
  609    HD3  LYS  79           HD3      LYS  79  -4.704  -9.225  -2.100
  610    HE2  LYS  79           HE2      LYS  79  -6.571  -8.684  -3.709
  611    HE3  LYS  79           HE3      LYS  79  -6.305  -6.965  -3.383
  612    HZ1  LYS  79           HZ1      LYS  79  -4.030  -7.264  -4.246
  613    HZ2  LYS  79           HZ2      LYS  79  -4.353  -8.847  -4.595
  614    HZ3  LYS  79           HZ3      LYS  79  -5.151  -7.649  -5.367
  615    H    HIS  80           H        HIS  80  -7.145  -8.172   3.004
  616    HA   HIS  80           HA       HIS  80  -8.609  -5.584   3.128
  617    HB2  HIS  80           HB2      HIS  80  -9.898  -8.305   2.717
  618    HB3  HIS  80           HB3      HIS  80 -10.723  -6.778   3.041
  619    HD2  HIS  80           HD2      HIS  80  -9.258  -8.826   0.227
  620    HE1  HIS  80           HE1      HIS  80 -10.679  -5.229  -1.569
  621    HE2  HIS  80           HE2      HIS  80  -9.801  -7.573  -2.029
  622    H    ASP  81           H        ASP  81  -6.727  -6.402   5.001
  623    HA   ASP  81           HA       ASP  81  -7.814  -7.838   7.217
  624    HB2  ASP  81           HB2      ASP  81  -5.429  -7.225   6.858
  625    HB3  ASP  81           HB3      ASP  81  -5.840  -5.531   7.185
  626    H    ASP  82           H        ASP  82  -8.916  -4.955   5.857
  627    HA   ASP  82           HA       ASP  82  -9.843  -3.677   8.374
  628    HB2  ASP  82           HB2      ASP  82  -8.954  -2.261   6.546
  629    HB3  ASP  82           HB3      ASP  82 -10.196  -2.884   5.457
  630    H    LYS  83           H        LYS  83 -10.892  -5.891   5.885
  631    HA   LYS  83           HA       LYS  83 -13.773  -5.533   6.627
  632    HB2  LYS  83           HB2      LYS  83 -12.748  -6.929   4.146
  633    HB3  LYS  83           HB3      LYS  83 -14.350  -6.276   4.451
  634    HG2  LYS  83           HG2      LYS  83 -11.818  -4.707   3.870
  635    HG3  LYS  83           HG3      LYS  83 -13.177  -4.998   2.786
  636    HD2  LYS  83           HD2      LYS  83 -14.689  -3.750   4.372
  637    HD3  LYS  83           HD3      LYS  83 -13.264  -3.381   5.373
  638    HE2  LYS  83           HE2      LYS  83 -12.193  -2.503   3.205
  639    HE3  LYS  83           HE3      LYS  83 -13.816  -2.575   2.504
  640    HZ1  LYS  83           HZ1      LYS  83 -13.315  -0.372   3.416
  641    HZ2  LYS  83           HZ2      LYS  83 -14.530  -1.038   4.282
  642    HZ3  LYS  83           HZ3      LYS  83 -12.998  -1.011   4.895
  643    H    TYR  84           H        TYR  84 -11.071  -7.751   6.485
  644    HA   TYR  84           HA       TYR  84 -12.675 -10.028   7.521
  645    HB2  TYR  84           HB2      TYR  84 -10.818  -9.960   5.093
  646    HB3  TYR  84           HB3      TYR  84 -11.434 -11.440   5.813
  647    HD1  TYR  84           HD2      TYR  84 -14.024 -11.580   6.165
  648    HD2  TYR  84           HD1      TYR  84 -12.057  -9.091   3.262
  649    HE1  TYR  84           HE2      TYR  84 -16.117 -11.515   4.824
  650    HE2  TYR  84           HE1      TYR  84 -14.133  -9.008   1.902
  651    HH   TYR  84           HH       TYR  84 -17.149 -10.702   2.896
  652    H    SER  85           H        SER  85 -10.626 -11.854   7.451
  653    HA   SER  85           HA       SER  85  -8.940 -12.683   8.698
  654    HB2  SER  85           HB2      SER  85  -7.574 -10.020   8.321
  655    HB3  SER  85           HB3      SER  85  -6.850 -11.606   8.645
  656    HG   SER  85           HG       SER  85  -8.286 -10.762   6.322
  657    HA   PRO  86           HA       PRO  86 -10.092 -10.618  12.697
  658    HB2  PRO  86           HB2      PRO  86 -11.579 -12.645  13.794
  659    HB3  PRO  86           HB3      PRO  86 -12.297 -11.385  12.732
  660    HG2  PRO  86           HG2      PRO  86 -11.384 -14.185  12.000
  661    HG3  PRO  86           HG3      PRO  86 -12.924 -13.375  11.565
  662    HD2  PRO  86           HD2      PRO  86 -10.781 -13.474   9.877
  663    HD3  PRO  86           HD3      PRO  86 -11.874 -12.056   9.929
  664    H    LEU  87           H        LEU  87  -8.520 -13.312  11.528
  665    HA   LEU  87           HA       LEU  87  -7.954 -14.828  13.853
  666    HB2  LEU  87           HB2      LEU  87  -6.439 -14.556  11.239
  667    HB3  LEU  87           HB3      LEU  87  -6.187 -15.847  12.425
  668    HG   LEU  87           HG       LEU  87  -8.736 -15.310  10.837
  669   HD11  LEU  87          HD11      LEU  87  -6.863 -16.255   9.499
  670   HD12  LEU  87          HD12      LEU  87  -6.695 -17.585  10.656
  671   HD13  LEU  87          HD13      LEU  87  -8.176 -17.432   9.688
  672   HD21  LEU  87          HD21      LEU  87  -9.371 -16.293  12.981
  673   HD22  LEU  87          HD22      LEU  87  -9.505 -17.524  11.729
  674   HD23  LEU  87          HD23      LEU  87  -8.111 -17.541  12.831
  675    HA   PRO  88           HA       PRO  88  -4.648 -12.265  15.655
  676    HB2  PRO  88           HB2      PRO  88  -3.861 -14.897  16.883
  677    HB3  PRO  88           HB3      PRO  88  -4.058 -13.305  17.667
  678    HG2  PRO  88           HG2      PRO  88  -5.948 -15.253  17.943
  679    HG3  PRO  88           HG3      PRO  88  -6.415 -13.533  17.742
  680    HD2  PRO  88           HD2      PRO  88  -6.398 -15.723  15.657
  681    HD3  PRO  88           HD3      PRO  88  -7.606 -14.438  15.958
  682    H    CYS  89           H        CYS  89  -2.361 -12.097  15.288
  683    HA   CYS  89           HA       CYS  89  -1.289 -13.198  12.933
  684    HB2  CYS  89           HB2      CYS  89   0.924 -12.421  13.900
  685    HB3  CYS  89           HB3      CYS  89  -0.339 -11.193  13.766
  686    HG   CYS  89           HG       CYS  89   1.029 -10.788  15.950
  687    H    SER  90           H        SER  90  -0.903 -14.339  16.332
  688    HA   SER  90           HA       SER  90   0.887 -16.372  15.962
  689    HB2  SER  90           HB2      SER  90  -1.599 -16.689  17.680
  690    HB3  SER  90           HB3      SER  90   0.035 -17.295  17.988
  691    HG   SER  90           HG       SER  90  -0.425 -15.425  19.228
  692    H    LYS  91           H        LYS  91  -2.650 -16.614  15.463
  693    HA   LYS  91           HA       LYS  91  -2.582 -19.404  14.811
  694    HB2  LYS  91           HB2      LYS  91  -4.761 -17.432  14.045
  695    HB3  LYS  91           HB3      LYS  91  -4.892 -19.179  14.212
  696    HG2  LYS  91           HG2      LYS  91  -4.553 -17.108  16.407
  697    HG3  LYS  91           HG3      LYS  91  -5.940 -18.140  16.110
  698    HD2  LYS  91           HD2      LYS  91  -3.221 -19.000  17.194
  699    HD3  LYS  91           HD3      LYS  91  -4.745 -18.878  18.074
  700    HE2  LYS  91           HE2      LYS  91  -5.708 -20.629  16.519
  701    HE3  LYS  91           HE3      LYS  91  -4.091 -20.828  15.828
  702    HZ1  LYS  91           HZ1      LYS  91  -4.519 -22.465  17.550
  703    HZ2  LYS  91           HZ2      LYS  91  -3.316 -21.486  18.051
  704    HZ3  LYS  91           HZ3      LYS  91  -4.823 -21.318  18.660
  705    H    ILE  92           H        ILE  92  -2.524 -16.420  12.830
  706    HA   ILE  92           HA       ILE  92  -2.735 -17.674  10.280
  707    HB   ILE  92           HB       ILE  92  -1.370 -15.113  11.210
  708   HG12  ILE  92          HG12      ILE  92  -3.973 -15.382   9.666
  709   HG13  ILE  92          HG13      ILE  92  -3.961 -15.464  11.415
  710   HG21  ILE  92          HG21      ILE  92  -1.425 -14.404   8.805
  711   HG22  ILE  92          HG22      ILE  92  -0.326 -15.737   9.100
  712   HG23  ILE  92          HG23      ILE  92  -1.911 -16.057   8.368
  713   HD11  ILE  92          HD11      ILE  92  -3.112 -13.245  11.653
  714   HD12  ILE  92          HD12      ILE  92  -2.808 -13.091   9.921
  715   HD13  ILE  92          HD13      ILE  92  -4.473 -13.190  10.519
  716    H    ILE  93           H        ILE  93   0.155 -16.831  12.268
  717    HA   ILE  93           HA       ILE  93   2.081 -17.938  10.490
  718    HB   ILE  93           HB       ILE  93   2.117 -17.426  13.493
  719   HG12  ILE  93          HG12      ILE  93   3.372 -15.718  11.293
  720   HG13  ILE  93          HG13      ILE  93   1.736 -15.447  11.841
  721   HG21  ILE  93          HG21      ILE  93   3.919 -18.987  12.945
  722   HG22  ILE  93          HG22      ILE  93   4.438 -17.956  11.598
  723   HG23  ILE  93          HG23      ILE  93   4.610 -17.405  13.277
  724   HD11  ILE  93          HD11      ILE  93   3.035 -13.949  13.092
  725   HD12  ILE  93          HD12      ILE  93   2.628 -15.241  14.221
  726   HD13  ILE  93          HD13      ILE  93   4.255 -15.176  13.498
  727    H    GLN  94           H        GLN  94   0.274 -19.327  13.265
  728    HA   GLN  94           HA       GLN  94   1.551 -21.830  13.414
  729    HB2  GLN  94           HB2      GLN  94  -1.237 -20.833  14.046
  730    HB3  GLN  94           HB3      GLN  94  -0.944 -22.547  14.074
  731    HG2  GLN  94           HG2      GLN  94   0.456 -20.464  15.774
  732    HG3  GLN  94           HG3      GLN  94  -0.793 -21.586  16.288
  733   HE21  GLN  94          HE22      GLN  94   0.201 -24.065  14.997
  734   HE22  GLN  94          HE21      GLN  94   1.697 -24.442  15.816
  735    H    ARG  95           H        ARG  95  -1.313 -20.846  11.415
  736    HA   ARG  95           HA       ARG  95  -1.460 -23.437  10.164
  737    HB2  ARG  95           HB2      ARG  95  -2.432 -20.759   9.072
  738    HB3  ARG  95           HB3      ARG  95  -2.813 -22.347   8.413
  739    HG2  ARG  95           HG2      ARG  95  -3.764 -21.152  11.023
  740    HG3  ARG  95           HG3      ARG  95  -4.708 -21.713   9.648
  741    HD2  ARG  95           HD2      ARG  95  -3.923 -24.071  10.178
  742    HD3  ARG  95           HD3      ARG  95  -3.151 -23.409  11.636
  743    HE   ARG  95           HE       ARG  95  -5.953 -22.714  11.421
  744   HH11  ARG  95          HH21      ARG  95  -3.697 -25.269  12.522
  745   HH12  ARG  95          HH22      ARG  95  -4.847 -25.964  13.614
  746   HH21  ARG  95          HH11      ARG  95  -7.441 -23.653  12.895
  747   HH22  ARG  95          HH12      ARG  95  -7.001 -25.024  13.837
  748    H    ALA  96           H        ALA  96   0.326 -20.447   9.188
  749    HA   ALA  96           HA       ALA  96   1.153 -21.470   6.712
  750    HB1  ALA  96           HB1      ALA  96   1.480 -19.081   7.605
  751    HB2  ALA  96           HB2      ALA  96   2.825 -19.698   8.574
  752    HB3  ALA  96           HB3      ALA  96   2.910 -19.766   6.805
  753    H    GLU  97           H        GLU  97   2.711 -21.832   9.901
  754    HA   GLU  97           HA       GLU  97   4.880 -23.426   8.795
  755    HB2  GLU  97           HB2      GLU  97   4.111 -22.777  11.669
  756    HB3  GLU  97           HB3      GLU  97   5.585 -23.621  11.163
  757    HG2  GLU  97           HG2      GLU  97   6.093 -21.602   9.672
  758    HG3  GLU  97           HG3      GLU  97   4.816 -20.742  10.524
  759    H    GLU  98           H        GLU  98   1.661 -24.240   9.907
  760    HA   GLU  98           HA       GLU  98   2.280 -27.015  10.492
  761    HB2  GLU  98           HB2      GLU  98  -0.228 -25.353  10.149
  762    HB3  GLU  98           HB3      GLU  98  -0.329 -27.108  10.245
  763    HG2  GLU  98           HG2      GLU  98   0.472 -27.221  12.430
  764    HG3  GLU  98           HG3      GLU  98   1.202 -25.622  12.379
  765    H    LEU  99           H        LEU  99   1.639 -25.059   7.670
  766    HA   LEU  99           HA       LEU  99   0.924 -27.453   6.052
  767    HB2  LEU  99           HB2      LEU  99   0.366 -24.510   5.602
  768    HB3  LEU  99           HB3      LEU  99  -0.225 -25.838   4.603
  769    HG   LEU  99           HG       LEU  99  -0.921 -25.484   7.562
  770   HD11  LEU  99          HD11      LEU  99  -3.120 -24.719   6.774
  771   HD12  LEU  99          HD12      LEU  99  -1.805 -23.648   6.278
  772   HD13  LEU  99          HD13      LEU  99  -2.533 -24.758   5.090
  773   HD21  LEU  99          HD21      LEU  99  -2.112 -27.341   5.481
  774   HD22  LEU  99          HD22      LEU  99  -1.127 -27.808   6.896
  775   HD23  LEU  99          HD23      LEU  99  -2.718 -27.093   7.135
  776    H    VAL 100           H        VAL 100   3.636 -25.416   6.497
  777    HA   VAL 100           HA       VAL 100   4.663 -25.345   3.883
  778    HB   VAL 100           HB       VAL 100   5.599 -24.196   5.861
  779   HG11  VAL 100          HG11      VAL 100   5.490 -26.095   7.495
  780   HG12  VAL 100          HG12      VAL 100   6.847 -26.859   6.650
  781   HG13  VAL 100          HG13      VAL 100   7.063 -25.284   7.441
  782   HG21  VAL 100          HG21      VAL 100   7.956 -24.452   5.251
  783   HG22  VAL 100          HG22      VAL 100   7.607 -25.949   4.388
  784   HG23  VAL 100          HG23      VAL 100   6.904 -24.414   3.821
  785    H    GLY 101           H        GLY 101   5.946 -26.798   2.663
  786    HA2  GLY 101           HA2      GLY 101   6.909 -28.773   2.059
  787    HA3  GLY 101           HA3      GLY 101   6.413 -29.525   3.583
  788    H    GLN 102           H        GLN 102   3.589 -28.120   2.458
  789    HA   GLN 102           HA       GLN 102   2.626 -30.680   1.372
  790    HB2  GLN 102           HB2      GLN 102   1.264 -28.027   2.006
  791    HB3  GLN 102           HB3      GLN 102   0.455 -29.361   1.173
  792    HG2  GLN 102           HG2      GLN 102   0.957 -30.894   3.005
  793    HG3  GLN 102           HG3      GLN 102   1.765 -29.604   3.908
  794   HE21  GLN 102          HE22      GLN 102   0.032 -30.516   5.505
  795   HE22  GLN 102          HE21      GLN 102  -1.508 -29.694   5.495
  796    H    GLU 103           H        GLU 103   1.655 -30.863  -0.644
  797    HA   GLU 103           HA       GLU 103   2.833 -29.111  -2.718
  798    HB2  GLU 103           HB2      GLU 103   1.559 -31.783  -3.321
  799    HB3  GLU 103           HB3      GLU 103   2.857 -30.936  -4.141
  800    HG2  GLU 103           HG2      GLU 103   4.068 -32.612  -3.225
  801    HG3  GLU 103           HG3      GLU 103   4.211 -31.486  -1.887
  802    H    VAL 104           H        VAL 104   1.571 -28.397  -4.474
  803    HA   VAL 104           HA       VAL 104  -1.355 -28.709  -4.286
  804    HB   VAL 104           HB       VAL 104  -1.464 -26.336  -5.002
  805   HG11  VAL 104          HG11      VAL 104  -1.276 -25.376  -2.741
  806   HG12  VAL 104          HG12      VAL 104  -1.976 -27.001  -2.671
  807   HG13  VAL 104          HG13      VAL 104  -0.276 -26.742  -2.223
  808   HG21  VAL 104          HG21      VAL 104   0.868 -25.986  -5.711
  809   HG22  VAL 104          HG22      VAL 104   0.317 -24.763  -4.567
  810   HG23  VAL 104          HG23      VAL 104   1.394 -26.056  -4.009
  811    H    LEU 105           H        LEU 105  -2.382 -28.653  -6.300
  812    HA   LEU 105           HA       LEU 105  -0.555 -29.544  -8.465
  813    HB2  LEU 105           HB2      LEU 105  -3.501 -30.050  -7.976
  814    HB3  LEU 105           HB3      LEU 105  -2.538 -30.787  -9.263
  815    HG   LEU 105           HG       LEU 105  -2.234 -31.304  -6.272
  816   HD11  LEU 105          HD11      LEU 105  -3.181 -33.109  -8.537
  817   HD12  LEU 105          HD12      LEU 105  -3.011 -33.565  -6.827
  818   HD13  LEU 105          HD13      LEU 105  -4.212 -32.356  -7.302
  819   HD21  LEU 105          HD21      LEU 105  -0.663 -32.455  -8.616
  820   HD22  LEU 105          HD22      LEU 105  -0.023 -31.449  -7.292
  821   HD23  LEU 105          HD23      LEU 105  -0.612 -33.075  -6.951
  822    H    TYR 106           H        TYR 106  -1.011 -26.884  -7.972
  823    HA   TYR 106           HA       TYR 106  -1.894 -26.013 -10.642
  824    HB2  TYR 106           HB2      TYR 106  -2.704 -23.863  -9.644
  825    HB3  TYR 106           HB3      TYR 106  -3.721 -25.253  -9.367
  826    HD1  TYR 106           HD1      TYR 106  -0.952 -23.312  -7.614
  827    HD2  TYR 106           HD2      TYR 106  -4.605 -25.591  -7.241
  828    HE1  TYR 106           HE1      TYR 106  -1.086 -22.701  -5.231
  829    HE2  TYR 106           HE2      TYR 106  -4.743 -24.977  -4.849
  830    HH   TYR 106           HH       TYR 106  -2.327 -22.839  -3.268
  831    H    LYS 107           H        LYS 107  -0.737 -24.046 -11.309
  832    HA   LYS 107           HA       LYS 107   2.055 -24.144 -10.555
  833    HB2  LYS 107           HB2      LYS 107   0.368 -22.192 -12.216
  834    HB3  LYS 107           HB3      LYS 107   2.123 -22.063 -12.058
  835    HG2  LYS 107           HG2      LYS 107   2.403 -24.276 -13.114
  836    HG3  LYS 107           HG3      LYS 107   0.637 -24.398 -13.323
  837    HD2  LYS 107           HD2      LYS 107   0.671 -22.329 -14.708
  838    HD3  LYS 107           HD3      LYS 107   2.437 -22.237 -14.516
  839    HE2  LYS 107           HE2      LYS 107   2.658 -24.470 -15.591
  840    HE3  LYS 107           HE3      LYS 107   0.899 -24.539 -15.798
  841    HZ1  LYS 107           HZ1      LYS 107   1.059 -22.594 -17.243
  842    HZ2  LYS 107           HZ2      LYS 107   2.682 -22.528 -17.051
  843    HZ3  LYS 107           HZ3      LYS 107   1.999 -23.795 -17.813
  844    H    LEU 108           H        LEU 108   3.206 -22.398  -9.686
  845    HA   LEU 108           HA       LEU 108   1.912 -20.724  -7.680
  846    HB2  LEU 108           HB2      LEU 108   4.314 -19.899  -7.396
  847    HB3  LEU 108           HB3      LEU 108   3.913 -21.547  -6.975
  848    HG   LEU 108           HG       LEU 108   5.036 -22.485  -8.812
  849   HD11  LEU 108          HD11      LEU 108   5.629 -19.720  -9.921
  850   HD12  LEU 108          HD12      LEU 108   6.265 -21.262 -10.528
  851   HD13  LEU 108          HD13      LEU 108   4.537 -20.922 -10.650
  852   HD21  LEU 108          HD21      LEU 108   6.313 -21.734  -6.837
  853   HD22  LEU 108          HD22      LEU 108   7.305 -21.818  -8.313
  854   HD23  LEU 108          HD23      LEU 108   6.754 -20.243  -7.693
  855    H    THR 109           H        THR 109   0.593 -20.001  -9.907
  856    HA   THR 109           HA       THR 109   1.817 -17.714 -11.250
  857    HB   THR 109           HB       THR 109  -0.693 -17.344 -11.803
  858    HG1  THR 109           HG1      THR 109  -2.027 -19.024 -11.433
  859   HG21  THR 109          HG21      THR 109   0.702 -19.918 -12.698
  860   HG22  THR 109          HG22      THR 109  -0.673 -19.154 -13.521
  861   HG23  THR 109          HG23      THR 109   0.884 -18.313 -13.431
  862    H    SER 110           H        SER 110   1.041 -15.498 -10.833
  863    HA   SER 110           HA       SER 110   1.299 -14.649  -8.248
  864    HB2  SER 110           HB2      SER 110  -0.401 -13.197 -10.311
  865    HB3  SER 110           HB3      SER 110   0.726 -12.508  -9.116
  866    HG   SER 110           HG       SER 110   2.404 -13.297 -10.199
  867    H    GLU 111           H        GLU 111  -1.755 -15.470  -9.946
  868    HA   GLU 111           HA       GLU 111  -3.511 -14.635  -7.836
  869    HB2  GLU 111           HB2      GLU 111  -4.131 -14.888 -10.229
  870    HB3  GLU 111           HB3      GLU 111  -3.912 -16.641 -10.103
  871    HG2  GLU 111           HG2      GLU 111  -5.733 -16.764  -8.441
  872    HG3  GLU 111           HG3      GLU 111  -5.890 -15.005  -8.455
  873    H    ASN 112           H        ASN 112  -1.911 -17.817  -8.567
  874    HA   ASN 112           HA       ASN 112  -3.533 -19.187  -6.564
  875    HB2  ASN 112           HB2      ASN 112  -1.144 -19.900  -8.265
  876    HB3  ASN 112           HB3      ASN 112  -1.567 -20.907  -6.895
  877   HD21  ASN 112          HD22      ASN 112  -1.979 -20.815 -10.113
  878   HD22  ASN 112          HD21      ASN 112  -3.560 -21.569 -10.265
  879    H    CYS 113           H        CYS 113  -0.294 -17.633  -6.604
  880    HA   CYS 113           HA       CYS 113   0.343 -18.472  -3.929
  881    HB2  CYS 113           HB2      CYS 113   1.290 -16.008  -5.459
  882    HB3  CYS 113           HB3      CYS 113   2.023 -16.695  -3.989
  883    HG   CYS 113           HG       CYS 113   3.508 -17.319  -6.100
  884    H    GLU 114           H        GLU 114  -1.271 -15.497  -5.247
  885    HA   GLU 114           HA       GLU 114  -1.663 -14.180  -2.789
  886    HB2  GLU 114           HB2      GLU 114  -2.069 -13.224  -5.081
  887    HB3  GLU 114           HB3      GLU 114  -3.517 -14.213  -5.211
  888    HG2  GLU 114           HG2      GLU 114  -4.453 -13.054  -3.193
  889    HG3  GLU 114           HG3      GLU 114  -2.998 -12.061  -3.112
  890    H    HIS 115           H        HIS 115  -3.663 -16.606  -4.479
  891    HA   HIS 115           HA       HIS 115  -5.859 -16.733  -2.726
  892    HB2  HIS 115           HB2      HIS 115  -5.902 -17.741  -4.925
  893    HB3  HIS 115           HB3      HIS 115  -4.546 -18.788  -4.548
  894    HD2  HIS 115           HD2      HIS 115  -5.013 -20.733  -2.564
  895    HE1  HIS 115           HE1      HIS 115  -9.215 -20.869  -3.201
  896    HE2  HIS 115           HE2      HIS 115  -7.254 -21.924  -1.945
  897    H    PHE 116           H        PHE 116  -2.834 -18.780  -2.750
  898    HA   PHE 116           HA       PHE 116  -3.607 -20.259  -0.493
  899    HB2  PHE 116           HB2      PHE 116  -1.849 -21.077  -1.915
  900    HB3  PHE 116           HB3      PHE 116  -0.943 -19.576  -1.772
  901    HD1  PHE 116           HD2      PHE 116  -1.909 -22.690   0.070
  902    HD2  PHE 116           HD1      PHE 116   0.562 -19.156   0.056
  903    HE1  PHE 116           HE2      PHE 116  -0.655 -23.542   2.038
  904    HE2  PHE 116           HE1      PHE 116   1.749 -19.958   2.072
  905    HZ   PHE 116           HZ       PHE 116   1.172 -22.190   3.037
  906    H    VAL 117           H        VAL 117  -1.461 -17.358  -0.582
  907    HA   VAL 117           HA       VAL 117  -1.067 -17.476   2.235
  908    HB   VAL 117           HB       VAL 117  -0.140 -15.289   2.149
  909   HG11  VAL 117          HG11      VAL 117   1.614 -15.632   0.501
  910   HG12  VAL 117          HG12      VAL 117   1.235 -17.138   1.347
  911   HG13  VAL 117          HG13      VAL 117   0.669 -16.865  -0.322
  912   HG21  VAL 117          HG21      VAL 117  -1.769 -14.145   0.628
  913   HG22  VAL 117          HG22      VAL 117  -0.087 -13.872   0.177
  914   HG23  VAL 117          HG23      VAL 117  -1.073 -15.029  -0.739
  915    H    ASN 118           H        ASN 118  -3.741 -15.987   0.395
  916    HA   ASN 118           HA       ASN 118  -4.822 -14.665   2.753
  917    HB2  ASN 118           HB2      ASN 118  -5.948 -15.270   0.009
  918    HB3  ASN 118           HB3      ASN 118  -6.985 -14.722   1.333
  919   HD21  ASN 118          HD22      ASN 118  -4.177 -13.775  -0.665
  920   HD22  ASN 118          HD21      ASN 118  -4.204 -12.083  -0.185
  921    H    GLU 119           H        GLU 119  -5.152 -17.882   1.285
  922    HA   GLU 119           HA       GLU 119  -7.073 -18.941   3.024
  923    HB2  GLU 119           HB2      GLU 119  -5.541 -19.888   0.900
  924    HB3  GLU 119           HB3      GLU 119  -4.890 -20.795   2.267
  925    HG2  GLU 119           HG2      GLU 119  -7.276 -21.436   2.838
  926    HG3  GLU 119           HG3      GLU 119  -7.779 -20.587   1.369
  927    H    LEU 120           H        LEU 120  -4.047 -17.691   3.948
  928    HA   LEU 120           HA       LEU 120  -4.086 -19.229   6.476
  929    HB2  LEU 120           HB2      LEU 120  -1.864 -17.543   5.299
  930    HB3  LEU 120           HB3      LEU 120  -1.773 -18.494   6.779
  931    HG   LEU 120           HG       LEU 120  -2.166 -19.631   3.973
  932   HD11  LEU 120          HD11      LEU 120   0.008 -18.638   4.111
  933   HD12  LEU 120          HD12      LEU 120   0.286 -19.321   5.728
  934   HD13  LEU 120          HD13      LEU 120   0.228 -20.382   4.319
  935   HD21  LEU 120          HD21      LEU 120  -3.070 -21.132   5.714
  936   HD22  LEU 120          HD22      LEU 120  -1.598 -21.786   4.992
  937   HD23  LEU 120          HD23      LEU 120  -1.530 -21.030   6.603
  938    H    ARG 121           H        ARG 121  -3.611 -15.916   5.105
  939    HA   ARG 121           HA       ARG 121  -3.712 -14.526   7.551
  940    HB2  ARG 121           HB2      ARG 121  -2.985 -13.591   5.354
  941    HB3  ARG 121           HB3      ARG 121  -4.663 -13.603   4.806
  942    HG2  ARG 121           HG2      ARG 121  -4.213 -11.362   5.412
  943    HG3  ARG 121           HG3      ARG 121  -5.198 -12.017   6.711
  944    HD2  ARG 121           HD2      ARG 121  -2.885 -12.497   7.871
  945    HD3  ARG 121           HD3      ARG 121  -2.255 -11.322   6.714
  946    HE   ARG 121           HE       ARG 121  -4.551 -10.187   7.912
  947   HH11  ARG 121          HH21      ARG 121  -1.294 -11.169   8.941
  948   HH12  ARG 121          HH22      ARG 121  -1.282 -10.118  10.324
  949   HH21  ARG 121          HH11      ARG 121  -4.528  -8.816   9.751
  950   HH22  ARG 121          HH12      ARG 121  -3.142  -8.773  10.789
  951    H    TYR 122           H        TYR 122  -6.393 -15.654   5.504
  952    HA   TYR 122           HA       TYR 122  -8.309 -14.785   7.625
  953    HB2  TYR 122           HB2      TYR 122  -8.492 -13.510   5.535
  954    HB3  TYR 122           HB3      TYR 122  -8.636 -14.993   4.619
  955    HD1  TYR 122           HD1      TYR 122 -10.467 -14.237   7.833
  956    HD2  TYR 122           HD2      TYR 122 -10.704 -14.607   3.543
  957    HE1  TYR 122           HE1      TYR 122 -12.929 -14.123   7.968
  958    HE2  TYR 122           HE2      TYR 122 -13.166 -14.520   3.667
  959    HH   TYR 122           HH       TYR 122 -15.031 -14.400   5.065
  960    H    GLY 123           H        GLY 123  -6.868 -17.552   6.238
  961    HA2  GLY 123           HA2      GLY 123  -7.294 -19.756   6.871
  962    HA3  GLY 123           HA3      GLY 123  -8.849 -19.278   7.548
  963    H    VAL 124           H        VAL 124  -9.095 -17.804   4.679
  964    HA   VAL 124           HA       VAL 124  -9.377 -20.002   2.830
  965    HB   VAL 124           HB       VAL 124 -11.496 -20.144   4.057
  966   HG11  VAL 124          HG11      VAL 124 -12.096 -17.293   3.187
  967   HG12  VAL 124          HG12      VAL 124 -13.194 -18.406   4.022
  968   HG13  VAL 124          HG13      VAL 124 -11.749 -17.813   4.849
  969   HG21  VAL 124          HG21      VAL 124 -11.437 -20.688   1.661
  970   HG22  VAL 124          HG22      VAL 124 -13.017 -20.076   2.175
  971   HG23  VAL 124          HG23      VAL 124 -11.915 -19.020   1.269
  972    H    ALA 125           H        ALA 125  -8.983 -19.128   0.733
  973    HA   ALA 125           HA       ALA 125  -7.932 -16.575   0.417
  974    HB1  ALA 125           HB1      ALA 125  -9.343 -18.281  -1.665
  975    HB2  ALA 125           HB2      ALA 125  -8.219 -16.948  -1.985
  976    HB3  ALA 125           HB3      ALA 125  -7.634 -18.421  -1.184
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1   9.145  -2.574  -0.612
    2    H2   MET   1           H2       MET   1   8.926  -1.420   0.539
    3    H3   MET   1           H3       MET   1   9.375  -0.982  -0.972
    4    HA   MET   1           HA       MET   1  10.987  -2.564   0.906
    5    HB2  MET   1           HB2      MET   1  11.420  -3.226  -1.415
    6    HB3  MET   1           HB3      MET   1  11.689  -1.544  -1.885
    7    HG2  MET   1           HG2      MET   1  13.790  -2.795  -1.581
    8    HG3  MET   1           HG3      MET   1  13.678  -1.418  -0.492
    9    HE1  MET   1           HE1      MET   1  15.666  -2.270   0.980
   10    HE2  MET   1           HE2      MET   1  15.795  -3.926   1.613
   11    HE3  MET   1           HE3      MET   1  15.865  -3.639  -0.140
   12    H    ARG   2           H        ARG   2  12.105  -1.377   2.396
   13    HA   ARG   2           HA       ARG   2  13.068   1.272   1.775
   14    HB2  ARG   2           HB2      ARG   2  12.048   2.479   3.557
   15    HB3  ARG   2           HB3      ARG   2  10.741   1.725   2.657
   16    HG2  ARG   2           HG2      ARG   2  10.763  -0.138   4.462
   17    HG3  ARG   2           HG3      ARG   2  11.886   0.899   5.343
   18    HD2  ARG   2           HD2      ARG   2   9.912   1.506   6.309
   19    HD3  ARG   2           HD3      ARG   2  10.056   2.758   5.067
   20    HE   ARG   2           HE       ARG   2   8.625   0.704   3.858
   21   HH11  ARG   2          HH11      ARG   2   8.063   2.854   6.667
   22   HH12  ARG   2          HH12      ARG   2   6.383   2.359   6.799
   23   HH21  ARG   2          HH21      ARG   2   6.309   0.262   4.065
   24   HH22  ARG   2          HH22      ARG   2   5.446   1.038   5.377
   25    H    ALA   3           H        ALA   3  14.598   1.958   3.605
   26    HA   ALA   3           HA       ALA   3  16.290  -0.248   4.173
   27    HB1  ALA   3           HB1      ALA   3  16.405   2.617   5.186
   28    HB2  ALA   3           HB2      ALA   3  17.671   1.395   5.411
   29    HB3  ALA   3           HB3      ALA   3  17.229   1.923   3.779
   30    HA   PRO   4           HA       PRO   4  14.994  -0.212   8.739
   31    HB2  PRO   4           HB2      PRO   4  12.900   1.243   9.720
   32    HB3  PRO   4           HB3      PRO   4  14.536   1.927   9.504
   33    HG2  PRO   4           HG2      PRO   4  12.177   2.142   7.604
   34    HG3  PRO   4           HG3      PRO   4  13.214   3.460   8.232
   35    HD2  PRO   4           HD2      PRO   4  13.677   2.332   5.812
   36    HD3  PRO   4           HD3      PRO   4  15.024   2.818   6.879
   37    H    ILE   5           H        ILE   5  13.041  -1.166  10.027
   38    HA   ILE   5           HA       ILE   5  10.886  -2.209   8.267
   39    HB   ILE   5           HB       ILE   5  12.313  -3.886  10.367
   40   HG12  ILE   5          HG12      ILE   5  12.546  -4.001   7.325
   41   HG13  ILE   5          HG13      ILE   5  13.823  -3.551   8.455
   42   HG21  ILE   5          HG21      ILE   5  10.928  -5.718   9.544
   43   HG22  ILE   5          HG22      ILE   5   9.861  -4.388   9.952
   44   HG23  ILE   5          HG23      ILE   5  10.269  -4.698   8.249
   45   HD11  ILE   5          HD11      ILE   5  14.262  -5.771   7.754
   46   HD12  ILE   5          HD12      ILE   5  13.725  -5.853   9.444
   47   HD13  ILE   5          HD13      ILE   5  12.620  -6.312   8.121
   48    HA   PRO   6           HA       PRO   6   9.809   0.149  12.099
   49    HB2  PRO   6           HB2      PRO   6   8.318   2.179  11.106
   50    HB3  PRO   6           HB3      PRO   6  10.098   2.129  10.888
   51    HG2  PRO   6           HG2      PRO   6   7.960   1.250   8.923
   52    HG3  PRO   6           HG3      PRO   6   9.360   2.334   8.631
   53    HD2  PRO   6           HD2      PRO   6   9.437  -0.352   8.058
   54    HD3  PRO   6           HD3      PRO   6  10.864   0.558   8.624
   55    H    GLU   7           H        GLU   7   7.683  -1.222   9.667
   56    HA   GLU   7           HA       GLU   7   5.529  -1.503  11.648
   57    HB2  GLU   7           HB2      GLU   7   3.842  -0.658  10.192
   58    HB3  GLU   7           HB3      GLU   7   5.101   0.558  10.397
   59    HG2  GLU   7           HG2      GLU   7   6.053  -0.080   8.178
   60    HG3  GLU   7           HG3      GLU   7   4.734  -1.236   7.956
   61    HA   PRO   8           HA       PRO   8   5.062  -5.083   8.407
   62    HB2  PRO   8           HB2      PRO   8   8.014  -5.695   8.314
   63    HB3  PRO   8           HB3      PRO   8   6.761  -6.026   7.082
   64    HG2  PRO   8           HG2      PRO   8   8.476  -3.944   6.770
   65    HG3  PRO   8           HG3      PRO   8   6.736  -3.720   6.404
   66    HD2  PRO   8           HD2      PRO   8   8.219  -2.966   8.939
   67    HD3  PRO   8           HD3      PRO   8   7.061  -2.001   7.982
   68    H    LYS   9           H        LYS   9   4.754  -7.120   9.421
   69    HA   LYS   9           HA       LYS   9   6.427  -7.923  11.694
   70    HB2  LYS   9           HB2      LYS   9   4.268  -8.274  13.055
   71    HB3  LYS   9           HB3      LYS   9   4.913  -6.627  12.965
   72    HG2  LYS   9           HG2      LYS   9   3.281  -6.014  11.262
   73    HG3  LYS   9           HG3      LYS   9   2.680  -7.686  11.188
   74    HD2  LYS   9           HD2      LYS   9   1.658  -7.516  13.329
   75    HD3  LYS   9           HD3      LYS   9   2.527  -6.020  13.713
   76    HE2  LYS   9           HE2      LYS   9   0.149  -5.605  13.077
   77    HE3  LYS   9           HE3      LYS   9   1.318  -4.758  12.063
   78    HZ1  LYS   9           HZ1      LYS   9   0.988  -6.424  10.333
   79    HZ2  LYS   9           HZ2      LYS   9  -0.067  -7.255  11.280
   80    HZ3  LYS   9           HZ3      LYS   9  -0.442  -5.758  10.753
   81    HA   PRO  10           HA       PRO  10   5.337 -11.968  10.089
   82    HB2  PRO  10           HB2      PRO  10   5.196 -12.610  13.047
   83    HB3  PRO  10           HB3      PRO  10   5.879 -13.602  11.719
   84    HG2  PRO  10           HG2      PRO  10   7.535 -12.134  13.273
   85    HG3  PRO  10           HG3      PRO  10   7.759 -12.098  11.493
   86    HD2  PRO  10           HD2      PRO  10   6.358 -10.065  13.248
   87    HD3  PRO  10           HD3      PRO  10   7.503  -9.805  11.894
   88    H    GLY  11           H        GLY  11   3.402 -13.015   9.632
   89    HA2  GLY  11           HA2      GLY  11   1.122 -13.572   9.946
   90    HA3  GLY  11           HA3      GLY  11   0.922 -12.221  11.070
   91    H    ASP  12           H        ASP  12   2.691 -10.693   8.764
   92    HA   ASP  12           HA       ASP  12   0.271  -9.776   7.343
   93    HB2  ASP  12           HB2      ASP  12   3.096  -8.703   7.578
   94    HB3  ASP  12           HB3      ASP  12   1.999  -8.145   6.324
   95    H    LEU  13           H        LEU  13   0.208  -9.502   5.066
   96    HA   LEU  13           HA       LEU  13   1.384 -11.811   3.603
   97    HB2  LEU  13           HB2      LEU  13  -0.332  -9.533   2.530
   98    HB3  LEU  13           HB3      LEU  13   0.252 -10.924   1.647
   99    HG   LEU  13           HG       LEU  13  -1.987 -10.871   3.678
  100   HD11  LEU  13          HD11      LEU  13  -2.486 -10.287   1.359
  101   HD12  LEU  13          HD12      LEU  13  -1.793 -11.820   0.810
  102   HD13  LEU  13          HD13      LEU  13  -3.244 -11.813   1.848
  103   HD21  LEU  13          HD21      LEU  13  -2.061 -13.379   3.299
  104   HD22  LEU  13          HD22      LEU  13  -0.418 -13.232   2.625
  105   HD23  LEU  13          HD23      LEU  13  -0.726 -12.822   4.319
  106    H    ILE  14           H        ILE  14   2.968 -11.569   2.047
  107    HA   ILE  14           HA       ILE  14   4.204  -8.876   1.700
  108    HB   ILE  14           HB       ILE  14   5.530 -11.624   1.789
  109   HG12  ILE  14          HG12      ILE  14   4.930 -10.954   4.047
  110   HG13  ILE  14          HG13      ILE  14   6.668 -10.963   3.813
  111   HG21  ILE  14          HG21      ILE  14   6.695 -10.230   0.209
  112   HG22  ILE  14          HG22      ILE  14   6.703  -8.860   1.324
  113   HG23  ILE  14          HG23      ILE  14   7.673 -10.313   1.674
  114   HD11  ILE  14          HD11      ILE  14   5.947  -9.039   5.170
  115   HD12  ILE  14          HD12      ILE  14   6.694  -8.489   3.663
  116   HD13  ILE  14          HD13      ILE  14   4.924  -8.462   3.846
  117    H    GLU  15           H        GLU  15   4.186  -8.254  -0.389
  118    HA   GLU  15           HA       GLU  15   3.809 -10.344  -2.482
  119    HB2  GLU  15           HB2      GLU  15   3.168  -8.685  -4.029
  120    HB3  GLU  15           HB3      GLU  15   2.111  -8.538  -2.623
  121    HG2  GLU  15           HG2      GLU  15   3.298  -6.554  -1.865
  122    HG3  GLU  15           HG3      GLU  15   4.566  -6.795  -3.074
  123    H    ILE  16           H        ILE  16   5.315 -10.240  -4.138
  124    HA   ILE  16           HA       ILE  16   8.015  -9.181  -3.470
  125    HB   ILE  16           HB       ILE  16   7.042 -11.827  -4.629
  126   HG12  ILE  16          HG12      ILE  16   6.763 -11.734  -2.173
  127   HG13  ILE  16          HG13      ILE  16   7.840 -12.984  -2.738
  128   HG21  ILE  16          HG21      ILE  16   9.506 -12.474  -4.523
  129   HG22  ILE  16          HG22      ILE  16   9.034 -11.349  -5.802
  130   HG23  ILE  16          HG23      ILE  16   9.838 -10.729  -4.358
  131   HD11  ILE  16          HD11      ILE  16   9.812 -11.604  -2.095
  132   HD12  ILE  16          HD12      ILE  16   8.704 -10.339  -1.531
  133   HD13  ILE  16          HD13      ILE  16   8.731 -11.917  -0.725
  134    H    PHE  17           H        PHE  17   8.589  -7.752  -5.085
  135    HA   PHE  17           HA       PHE  17   7.029  -7.626  -7.570
  136    HB2  PHE  17           HB2      PHE  17   8.763  -5.834  -6.100
  137    HB3  PHE  17           HB3      PHE  17   9.415  -6.041  -7.714
  138    HD1  PHE  17           HD1      PHE  17   6.317  -5.072  -5.814
  139    HD2  PHE  17           HD2      PHE  17   8.344  -5.092  -9.637
  140    HE1  PHE  17           HE1      PHE  17   4.595  -3.560  -6.751
  141    HE2  PHE  17           HE2      PHE  17   6.616  -3.566 -10.553
  142    HZ   PHE  17           HZ       PHE  17   4.739  -2.795  -9.112
  143    H    ARG  18           H        ARG  18   7.389  -9.065  -9.150
  144    HA   ARG  18           HA       ARG  18  10.009 -10.446  -9.385
  145    HB2  ARG  18           HB2      ARG  18   7.181 -10.914 -10.399
  146    HB3  ARG  18           HB3      ARG  18   8.522 -11.797 -11.071
  147    HG2  ARG  18           HG2      ARG  18   8.118 -11.782  -8.057
  148    HG3  ARG  18           HG3      ARG  18   7.125 -12.812  -9.093
  149    HD2  ARG  18           HD2      ARG  18   9.077 -13.841 -10.071
  150    HD3  ARG  18           HD3      ARG  18  10.160 -12.804  -9.146
  151    HE   ARG  18           HE       ARG  18   8.492 -15.056  -8.153
  152   HH11  ARG  18          HH21      ARG  18  11.249 -12.862  -7.507
  153   HH12  ARG  18          HH22      ARG  18  11.467 -13.452  -5.886
  154   HH21  ARG  18          HH11      ARG  18   9.052 -15.998  -6.125
  155   HH22  ARG  18          HH12      ARG  18  10.372 -15.355  -5.215
  156    HA   PRO  19           HA       PRO  19  11.572  -8.210 -12.605
  157    HB2  PRO  19           HB2      PRO  19  11.117 -10.340 -14.702
  158    HB3  PRO  19           HB3      PRO  19  12.600  -9.389 -14.368
  159    HG2  PRO  19           HG2      PRO  19  12.386 -11.903 -13.411
  160    HG3  PRO  19           HG3      PRO  19  12.992 -10.604 -12.330
  161    HD2  PRO  19           HD2      PRO  19  10.208 -11.766 -12.503
  162    HD3  PRO  19           HD3      PRO  19  11.182 -11.431 -11.048
  163    H    PHE  20           H        PHE  20   8.493  -9.566 -13.755
  164    HA   PHE  20           HA       PHE  20   7.729  -6.895 -14.735
  165    HB2  PHE  20           HB2      PHE  20   6.939  -7.743 -16.896
  166    HB3  PHE  20           HB3      PHE  20   8.665  -7.928 -16.724
  167    HD1  PHE  20           HD2      PHE  20   9.715 -10.153 -16.557
  168    HD2  PHE  20           HD1      PHE  20   5.446  -9.727 -17.023
  169    HE1  PHE  20           HE2      PHE  20   9.532 -12.563 -17.116
  170    HE2  PHE  20           HE1      PHE  20   5.271 -12.133 -17.585
  171    HZ   PHE  20           HZ       PHE  20   7.309 -13.561 -17.626
  172    H    TYR  21           H        TYR  21   6.983  -8.828 -12.465
  173    HA   TYR  21           HA       TYR  21   4.107  -8.773 -12.691
  174    HB2  TYR  21           HB2      TYR  21   3.721 -11.170 -12.577
  175    HB3  TYR  21           HB3      TYR  21   4.505 -10.732 -14.064
  176    HD1  TYR  21           HD1      TYR  21   6.925 -11.336 -14.471
  177    HD2  TYR  21           HD2      TYR  21   4.764 -12.717 -11.027
  178    HE1  TYR  21           HE1      TYR  21   8.526 -13.208 -14.220
  179    HE2  TYR  21           HE2      TYR  21   6.303 -14.605 -10.765
  180    HH   TYR  21           HH       TYR  21   8.176 -15.720 -11.671
  181    H    ARG  22           H        ARG  22   3.829 -10.901 -10.557
  182    HA   ARG  22           HA       ARG  22   5.546  -9.959  -8.451
  183    HB2  ARG  22           HB2      ARG  22   3.659  -9.414  -6.876
  184    HB3  ARG  22           HB3      ARG  22   4.053  -8.215  -8.085
  185    HG2  ARG  22           HG2      ARG  22   1.656  -8.368  -7.669
  186    HG3  ARG  22           HG3      ARG  22   2.042  -8.704  -9.358
  187    HD2  ARG  22           HD2      ARG  22   1.645 -11.021  -9.104
  188    HD3  ARG  22           HD3      ARG  22   1.687 -10.942  -7.344
  189    HE   ARG  22           HE       ARG  22  -0.461  -9.803  -7.349
  190   HH11  ARG  22          HH11      ARG  22   0.239 -10.926 -10.644
  191   HH12  ARG  22          HH12      ARG  22  -1.312 -11.724 -10.818
  192   HH21  ARG  22          HH21      ARG  22  -2.474 -10.931  -7.610
  193   HH22  ARG  22          HH22      ARG  22  -2.882 -11.616  -9.159
  194    H    HIS  23           H        HIS  23   5.348 -11.255  -6.532
  195    HA   HIS  23           HA       HIS  23   3.978 -13.867  -6.885
  196    HB2  HIS  23           HB2      HIS  23   6.253 -14.289  -7.500
  197    HB3  HIS  23           HB3      HIS  23   6.887 -13.381  -6.131
  198    HD2  HIS  23           HD2      HIS  23   7.674 -14.851  -4.168
  199    HE1  HIS  23           HE1      HIS  23   5.281 -18.307  -4.801
  200    HE2  HIS  23           HE2      HIS  23   7.122 -17.291  -3.379
  201    H    TRP  24           H        TRP  24   3.969 -14.930  -4.514
  202    HA   TRP  24           HA       TRP  24   3.526 -12.777  -2.500
  203    HB2  TRP  24           HB2      TRP  24   1.548 -14.860  -3.466
  204    HB3  TRP  24           HB3      TRP  24   1.408 -14.054  -1.919
  205    HD1  TRP  24           HD1      TRP  24   0.970 -13.405  -5.634
  206    HE1  TRP  24           HE1      TRP  24  -0.499 -11.317  -5.865
  207    HE3  TRP  24           HE3      TRP  24   1.131 -11.775  -0.833
  208    HZ2  TRP  24           HZ2      TRP  24  -1.280  -9.045  -4.235
  209    HZ3  TRP  24           HZ3      TRP  24  -0.014  -9.648  -0.167
  210    HH2  TRP  24           HH2      TRP  24  -1.252  -8.323  -1.848
  211    H    ALA  25           H        ALA  25   3.733 -13.327  -0.420
  212    HA   ALA  25           HA       ALA  25   4.296 -16.074   0.440
  213    HB1  ALA  25           HB1      ALA  25   6.275 -13.774   0.857
  214    HB2  ALA  25           HB2      ALA  25   6.455 -15.476   1.342
  215    HB3  ALA  25           HB3      ALA  25   6.488 -15.049  -0.366
  216    H    ILE  26           H        ILE  26   4.547 -15.986   2.940
  217    HA   ILE  26           HA       ILE  26   3.101 -13.664   4.116
  218    HB   ILE  26           HB       ILE  26   1.745 -15.774   3.686
  219   HG12  ILE  26          HG12      ILE  26   1.845 -14.888   6.599
  220   HG13  ILE  26          HG13      ILE  26   1.205 -13.891   5.281
  221   HG21  ILE  26          HG21      ILE  26   3.400 -17.452   4.327
  222   HG22  ILE  26          HG22      ILE  26   3.308 -16.920   6.024
  223   HG23  ILE  26          HG23      ILE  26   1.911 -17.648   5.233
  224   HD11  ILE  26          HD11      ILE  26   0.153 -16.591   6.168
  225   HD12  ILE  26          HD12      ILE  26  -0.676 -15.016   6.215
  226   HD13  ILE  26          HD13      ILE  26  -0.326 -15.795   4.654
  227    H    TYR  27           H        TYR  27   3.949 -12.885   5.998
  228    HA   TYR  27           HA       TYR  27   6.740 -13.539   6.441
  229    HB2  TYR  27           HB2      TYR  27   5.475 -11.265   6.269
  230    HB3  TYR  27           HB3      TYR  27   4.939 -11.561   7.895
  231    HD1  TYR  27           HD2      TYR  27   8.463 -12.575   7.268
  232    HD2  TYR  27           HD1      TYR  27   5.854  -9.240   8.070
  233    HE1  TYR  27           HE2      TYR  27  10.390 -11.252   7.999
  234    HE2  TYR  27           HE1      TYR  27   7.795  -7.932   8.903
  235    HH   TYR  27           HH       TYR  27  11.111  -9.284   9.035
  236    H    VAL  28           H        VAL  28   7.518 -14.844   8.093
  237    HA   VAL  28           HA       VAL  28   5.604 -15.623  10.266
  238    HB   VAL  28           HB       VAL  28   6.408 -17.924  10.091
  239   HG11  VAL  28          HG11      VAL  28   4.336 -17.153   8.899
  240   HG12  VAL  28          HG12      VAL  28   5.301 -17.000   7.417
  241   HG13  VAL  28          HG13      VAL  28   5.102 -18.584   8.196
  242   HG21  VAL  28          HG21      VAL  28   7.746 -17.203   7.466
  243   HG22  VAL  28          HG22      VAL  28   8.633 -17.408   8.986
  244   HG23  VAL  28          HG23      VAL  28   7.736 -18.763   8.314
  245    H    GLY  29           H        GLY  29   8.807 -14.513   9.583
  246    HA2  GLY  29           HA2      GLY  29   9.431 -14.488  12.413
  247    HA3  GLY  29           HA3      GLY  29  10.498 -15.537  11.447
  248    H    ASP  30           H        ASP  30  11.619 -13.322  12.614
  249    HA   ASP  30           HA       ASP  30  11.290 -10.829  11.651
  250    HB2  ASP  30           HB2      ASP  30  12.726 -11.396  13.532
  251    HB3  ASP  30           HB3      ASP  30  13.904 -12.146  12.453
  252    H    GLY  31           H        GLY  31  13.138 -13.293   9.918
  253    HA2  GLY  31           HA2      GLY  31  13.312 -11.435   7.581
  254    HA3  GLY  31           HA3      GLY  31  14.697 -12.413   8.078
  255    H    TYR  32           H        TYR  32  11.609 -14.043   8.476
  256    HA   TYR  32           HA       TYR  32  12.195 -15.597   5.981
  257    HB2  TYR  32           HB2      TYR  32  11.537 -16.596   8.765
  258    HB3  TYR  32           HB3      TYR  32  11.379 -17.584   7.320
  259    HD1  TYR  32           HD2      TYR  32  13.810 -15.706   9.394
  260    HD2  TYR  32           HD1      TYR  32  13.272 -18.530   6.180
  261    HE1  TYR  32           HE2      TYR  32  16.233 -16.269   9.498
  262    HE2  TYR  32           HE1      TYR  32  15.688 -19.097   6.263
  263    HH   TYR  32           HH       TYR  32  17.952 -17.568   8.603
  264    H    VAL  33           H        VAL  33  10.579 -16.583   4.939
  265    HA   VAL  33           HA       VAL  33   7.789 -15.844   5.664
  266    HB   VAL  33           HB       VAL  33   7.388 -15.538   3.219
  267   HG11  VAL  33          HG11      VAL  33   8.418 -13.230   3.068
  268   HG12  VAL  33          HG12      VAL  33   7.393 -13.562   4.453
  269   HG13  VAL  33          HG13      VAL  33   9.156 -13.569   4.656
  270   HG21  VAL  33          HG21      VAL  33   9.404 -16.642   2.303
  271   HG22  VAL  33          HG22      VAL  33   9.241 -14.987   1.704
  272   HG23  VAL  33          HG23      VAL  33  10.420 -15.360   2.979
  273    H    VAL  34           H        VAL  34   6.189 -17.210   4.683
  274    HA   VAL  34           HA       VAL  34   7.131 -19.883   3.765
  275    HB   VAL  34           HB       VAL  34   4.673 -19.001   5.317
  276   HG11  VAL  34          HG11      VAL  34   3.763 -20.422   3.579
  277   HG12  VAL  34          HG12      VAL  34   5.043 -21.638   3.845
  278   HG13  VAL  34          HG13      VAL  34   3.811 -21.331   5.089
  279   HG21  VAL  34          HG21      VAL  34   5.391 -20.780   6.856
  280   HG22  VAL  34          HG22      VAL  34   6.763 -21.145   5.780
  281   HG23  VAL  34          HG23      VAL  34   6.667 -19.579   6.588
  282    H    HIS  35           H        HIS  35   6.372 -20.516   1.733
  283    HA   HIS  35           HA       HIS  35   4.315 -18.983   0.374
  284    HB2  HIS  35           HB2      HIS  35   5.603 -18.019  -1.360
  285    HB3  HIS  35           HB3      HIS  35   6.320 -17.497   0.148
  286    HD2  HIS  35           HD2      HIS  35   8.075 -20.513   0.265
  287    HE1  HIS  35           HE1      HIS  35  10.135 -18.589  -2.918
  288    HE2  HIS  35           HE2      HIS  35  10.251 -20.465  -1.228
  289    H    LEU  36           H        LEU  36   4.221 -19.723  -2.032
  290    HA   LEU  36           HA       LEU  36   4.489 -22.659  -2.146
  291    HB2  LEU  36           HB2      LEU  36   3.191 -20.528  -3.880
  292    HB3  LEU  36           HB3      LEU  36   3.656 -22.061  -4.591
  293    HG   LEU  36           HG       LEU  36   1.321 -22.050  -4.045
  294   HD11  LEU  36          HD11      LEU  36   2.810 -23.998  -2.231
  295   HD12  LEU  36          HD12      LEU  36   1.165 -24.159  -2.842
  296   HD13  LEU  36          HD13      LEU  36   2.532 -24.213  -3.970
  297   HD21  LEU  36          HD21      LEU  36   1.354 -20.553  -2.094
  298   HD22  LEU  36          HD22      LEU  36   0.512 -22.084  -1.776
  299   HD23  LEU  36          HD23      LEU  36   2.135 -21.825  -1.121
  300    H    ALA  37           H        ALA  37   5.901 -23.689  -3.501
  301    HA   ALA  37           HA       ALA  37   7.958 -22.149  -4.970
  302    HB1  ALA  37           HB1      ALA  37   9.688 -23.548  -3.836
  303    HB2  ALA  37           HB2      ALA  37   8.792 -22.563  -2.668
  304    HB3  ALA  37           HB3      ALA  37   8.419 -24.294  -2.842
  305    HA   PRO  38           HA       PRO  38   7.487 -25.259  -8.030
  306    HB2  PRO  38           HB2      PRO  38  10.446 -25.866  -7.915
  307    HB3  PRO  38           HB3      PRO  38   9.427 -25.514  -9.343
  308    HG2  PRO  38           HG2      PRO  38  11.050 -23.601  -8.314
  309    HG3  PRO  38           HG3      PRO  38   9.383 -23.182  -8.830
  310    HD2  PRO  38           HD2      PRO  38  10.398 -23.749  -6.035
  311    HD3  PRO  38           HD3      PRO  38   9.334 -22.427  -6.599
  312    HA   PRO  39           HA       PRO  39   7.409 -29.166  -5.802
  313    HB2  PRO  39           HB2      PRO  39   6.669 -30.920  -7.747
  314    HB3  PRO  39           HB3      PRO  39   5.571 -29.614  -7.204
  315    HG2  PRO  39           HG2      PRO  39   7.415 -29.612  -9.622
  316    HG3  PRO  39           HG3      PRO  39   5.681 -29.181  -9.571
  317    HD2  PRO  39           HD2      PRO  39   7.694 -27.320  -9.428
  318    HD3  PRO  39           HD3      PRO  39   6.138 -27.091  -8.582
  319    H    SER  40           H        SER  40   9.576 -28.487  -8.416
  320    HA   SER  40           HA       SER  40  10.990 -30.778  -8.877
  321    HB2  SER  40           HB2      SER  40  12.178 -27.986  -8.796
  322    HB3  SER  40           HB3      SER  40  12.490 -29.287  -9.957
  323    HG   SER  40           HG       SER  40  11.116 -27.635 -10.786
  324    H    GLU  41           H        GLU  41  13.176 -31.393  -8.276
  325    HA   GLU  41           HA       GLU  41  14.210 -30.377  -5.701
  326    HB2  GLU  41           HB2      GLU  41  14.578 -32.663  -4.894
  327    HB3  GLU  41           HB3      GLU  41  12.869 -32.351  -5.172
  328    HG2  GLU  41           HG2      GLU  41  12.954 -33.590  -7.311
  329    HG3  GLU  41           HG3      GLU  41  14.681 -33.871  -7.104
  330    H    VAL  42           H        VAL  42  14.926 -29.903  -8.461
  331    HA   VAL  42           HA       VAL  42  17.484 -31.216  -8.979
  332    HB   VAL  42           HB       VAL  42  17.700 -29.409 -10.710
  333   HG11  VAL  42          HG11      VAL  42  15.144 -31.087 -10.867
  334   HG12  VAL  42          HG12      VAL  42  16.028 -30.383 -12.237
  335   HG13  VAL  42          HG13      VAL  42  16.786 -31.645 -11.253
  336   HG21  VAL  42          HG21      VAL  42  15.789 -28.051 -11.344
  337   HG22  VAL  42          HG22      VAL  42  14.793 -28.719 -10.045
  338   HG23  VAL  42          HG23      VAL  42  16.191 -27.695  -9.660
  339    H    ALA  43           H        ALA  43  19.405 -29.802  -9.291
  340    HA   ALA  43           HA       ALA  43  20.230 -28.402  -6.977
  341    HB1  ALA  43           HB1      ALA  43  22.130 -27.705  -8.453
  342    HB2  ALA  43           HB2      ALA  43  21.783 -29.444  -8.577
  343    HB3  ALA  43           HB3      ALA  43  21.234 -28.335  -9.858
  344    H    GLY  44           H        GLY  44  18.779 -27.269 -10.058
  345    HA2  GLY  44           HA2      GLY  44  17.529 -24.974  -9.130
  346    HA3  GLY  44           HA3      GLY  44  19.158 -24.475  -9.633
  347    H    ALA  45           H        ALA  45  17.544 -23.282 -11.194
  348    HA   ALA  45           HA       ALA  45  16.354 -24.653 -13.382
  349    HB1  ALA  45           HB1      ALA  45  15.843 -22.312 -12.838
  350    HB2  ALA  45           HB2      ALA  45  17.523 -21.838 -13.201
  351    HB3  ALA  45           HB3      ALA  45  16.468 -22.430 -14.494
  352    H    GLY  46           H        GLY  46  19.707 -23.682 -12.786
  353    HA2  GLY  46           HA2      GLY  46  21.666 -24.230 -13.858
  354    HA3  GLY  46           HA3      GLY  46  20.777 -25.540 -14.643
  355    H    ALA  47           H        ALA  47  22.078 -25.124 -16.524
  356    HA   ALA  47           HA       ALA  47  22.296 -22.657 -17.853
  357    HB1  ALA  47           HB1      ALA  47  22.471 -25.481 -18.996
  358    HB2  ALA  47           HB2      ALA  47  23.126 -24.007 -19.739
  359    HB3  ALA  47           HB3      ALA  47  23.797 -24.589 -18.206
  360    H    ALA  48           H        ALA  48  19.485 -24.698 -17.716
  361    HA   ALA  48           HA       ALA  48  18.301 -24.014 -20.246
  362    HB1  ALA  48           HB1      ALA  48  17.492 -25.867 -18.760
  363    HB2  ALA  48           HB2      ALA  48  16.928 -24.642 -17.591
  364    HB3  ALA  48           HB3      ALA  48  16.210 -24.723 -19.201
  365    H    SER  49           H        SER  49  18.789 -22.230 -17.249
  366    HA   SER  49           HA       SER  49  17.994 -20.349 -16.369
  367    HB2  SER  49           HB2      SER  49  17.582 -19.420 -19.234
  368    HB3  SER  49           HB3      SER  49  17.799 -18.406 -17.799
  369    HG   SER  49           HG       SER  49  19.739 -18.670 -18.997
  370    H    VAL  50           H        VAL  50  16.005 -22.551 -16.982
  371    HA   VAL  50           HA       VAL  50  13.735 -21.079 -16.018
  372    HB   VAL  50           HB       VAL  50  13.391 -20.962 -18.469
  373   HG11  VAL  50          HG11      VAL  50  13.238 -24.001 -18.441
  374   HG12  VAL  50          HG12      VAL  50  12.857 -22.934 -19.806
  375   HG13  VAL  50          HG13      VAL  50  14.512 -23.027 -19.202
  376   HG21  VAL  50          HG21      VAL  50  11.445 -21.046 -16.937
  377   HG22  VAL  50          HG22      VAL  50  11.106 -21.702 -18.543
  378   HG23  VAL  50          HG23      VAL  50  11.349 -22.809 -17.182
  379    H    MET  51           H        MET  51  12.273 -22.551 -14.888
  380    HA   MET  51           HA       MET  51  13.671 -24.886 -13.837
  381    HB2  MET  51           HB2      MET  51  12.472 -23.310 -12.359
  382    HB3  MET  51           HB3      MET  51  10.946 -23.695 -13.155
  383    HG2  MET  51           HG2      MET  51  11.264 -24.873 -10.990
  384    HG3  MET  51           HG3      MET  51  11.003 -25.961 -12.341
  385    HE1  MET  51           HE1      MET  51  13.527 -24.566  -9.712
  386    HE2  MET  51           HE2      MET  51  15.041 -25.400 -10.125
  387    HE3  MET  51           HE3      MET  51  14.410 -24.133 -11.197
  388    H    SER  52           H        SER  52  13.695 -25.879 -16.092
  389    HA   SER  52           HA       SER  52  11.462 -26.713 -17.479
  390    HB2  SER  52           HB2      SER  52  14.011 -28.322 -17.116
  391    HB3  SER  52           HB3      SER  52  12.924 -28.326 -18.518
  392    HG   SER  52           HG       SER  52  14.760 -27.015 -18.867
  393    H    ALA  53           H        ALA  53  12.700 -28.121 -14.478
  394    HA   ALA  53           HA       ALA  53  11.309 -30.633 -14.657
  395    HB1  ALA  53           HB1      ALA  53  13.300 -30.323 -13.258
  396    HB2  ALA  53           HB2      ALA  53  12.450 -29.106 -12.281
  397    HB3  ALA  53           HB3      ALA  53  11.918 -30.799 -12.254
  398    H    LEU  54           H        LEU  54  10.023 -27.487 -14.242
  399    HA   LEU  54           HA       LEU  54   8.052 -27.919 -12.255
  400    HB2  LEU  54           HB2      LEU  54   8.773 -25.703 -13.114
  401    HB3  LEU  54           HB3      LEU  54   8.058 -26.079 -14.683
  402    HG   LEU  54           HG       LEU  54   5.801 -26.098 -13.662
  403   HD11  LEU  54          HD11      LEU  54   7.252 -25.319 -11.083
  404   HD12  LEU  54          HD12      LEU  54   5.494 -25.237 -11.338
  405   HD13  LEU  54          HD13      LEU  54   6.294 -26.797 -11.350
  406   HD21  LEU  54          HD21      LEU  54   6.723 -24.014 -14.588
  407   HD22  LEU  54          HD22      LEU  54   5.681 -23.671 -13.200
  408   HD23  LEU  54          HD23      LEU  54   7.446 -23.613 -13.016
  409    H    THR  55           H        THR  55   5.888 -28.350 -12.499
  410    HA   THR  55           HA       THR  55   4.727 -29.592 -14.869
  411    HB   THR  55           HB       THR  55   4.860 -31.008 -12.154
  412    HG1  THR  55           HG1      THR  55   6.873 -31.092 -13.162
  413   HG21  THR  55          HG21      THR  55   2.875 -31.733 -13.337
  414   HG22  THR  55          HG22      THR  55   3.784 -31.927 -14.857
  415   HG23  THR  55          HG23      THR  55   4.077 -33.010 -13.480
  416    H    ASP  56           H        ASP  56   2.200 -29.895 -14.085
  417    HA   ASP  56           HA       ASP  56   1.419 -27.394 -12.862
  418    HB2  ASP  56           HB2      ASP  56   0.188 -28.355 -14.741
  419    HB3  ASP  56           HB3      ASP  56  -0.229 -29.769 -13.766
  420    H    LYS  57           H        LYS  57   2.917 -28.513 -11.035
  421    HA   LYS  57           HA       LYS  57   1.138 -29.033  -8.728
  422    HB2  LYS  57           HB2      LYS  57   3.736 -30.432  -9.528
  423    HB3  LYS  57           HB3      LYS  57   3.098 -30.474  -7.876
  424    HG2  LYS  57           HG2      LYS  57   1.160 -31.624  -8.499
  425    HG3  LYS  57           HG3      LYS  57   1.418 -31.348 -10.241
  426    HD2  LYS  57           HD2      LYS  57   3.431 -32.695 -10.230
  427    HD3  LYS  57           HD3      LYS  57   3.252 -33.018  -8.485
  428    HE2  LYS  57           HE2      LYS  57   1.054 -34.111  -8.927
  429    HE3  LYS  57           HE3      LYS  57   1.247 -33.806 -10.657
  430    HZ1  LYS  57           HZ1      LYS  57   3.022 -35.530  -9.022
  431    HZ2  LYS  57           HZ2      LYS  57   1.900 -36.056 -10.077
  432    HZ3  LYS  57           HZ3      LYS  57   3.204 -35.249 -10.622
  433    H    ALA  58           H        ALA  58   2.189 -28.402  -6.797
  434    HA   ALA  58           HA       ALA  58   4.751 -27.007  -6.801
  435    HB1  ALA  58           HB1      ALA  58   3.285 -25.147  -7.529
  436    HB2  ALA  58           HB2      ALA  58   2.214 -25.429  -6.143
  437    HB3  ALA  58           HB3      ALA  58   3.880 -24.880  -5.879
  438    H    ILE  59           H        ILE  59   5.068 -26.093  -4.417
  439    HA   ILE  59           HA       ILE  59   3.689 -27.767  -2.431
  440    HB   ILE  59           HB       ILE  59   5.751 -28.711  -1.581
  441   HG12  ILE  59          HG12      ILE  59   7.162 -27.337  -3.891
  442   HG13  ILE  59          HG13      ILE  59   7.354 -26.994  -2.167
  443   HG21  ILE  59          HG21      ILE  59   5.655 -29.414  -4.530
  444   HG22  ILE  59          HG22      ILE  59   6.147 -30.449  -3.175
  445   HG23  ILE  59          HG23      ILE  59   4.474 -29.977  -3.352
  446   HD11  ILE  59          HD11      ILE  59   8.144 -29.366  -1.856
  447   HD12  ILE  59          HD12      ILE  59   8.156 -29.528  -3.626
  448   HD13  ILE  59          HD13      ILE  59   9.220 -28.340  -2.846
  449    H    VAL  60           H        VAL  60   4.324 -27.047  -0.182
  450    HA   VAL  60           HA       VAL  60   4.709 -24.091  -0.236
  451    HB   VAL  60           HB       VAL  60   3.641 -25.974   1.883
  452   HG11  VAL  60          HG11      VAL  60   4.582 -23.898   2.876
  453   HG12  VAL  60          HG12      VAL  60   3.569 -22.920   1.791
  454   HG13  VAL  60          HG13      VAL  60   2.830 -23.948   3.041
  455   HG21  VAL  60          HG21      VAL  60   2.065 -25.858  -0.011
  456   HG22  VAL  60          HG22      VAL  60   1.414 -25.053   1.412
  457   HG23  VAL  60          HG23      VAL  60   2.076 -24.080   0.084
  458    H    LYS  61           H        LYS  61   6.519 -23.206   0.750
  459    HA   LYS  61           HA       LYS  61   8.295 -24.939   2.389
  460    HB2  LYS  61           HB2      LYS  61   9.069 -23.444  -0.156
  461    HB3  LYS  61           HB3      LYS  61  10.249 -23.813   1.103
  462    HG2  LYS  61           HG2      LYS  61   9.670 -26.232   0.944
  463    HG3  LYS  61           HG3      LYS  61   8.563 -25.861  -0.381
  464    HD2  LYS  61           HD2      LYS  61  10.607 -26.671  -1.355
  465    HD3  LYS  61           HD3      LYS  61  10.461 -24.959  -1.713
  466    HE2  LYS  61           HE2      LYS  61  12.743 -25.375  -1.177
  467    HE3  LYS  61           HE3      LYS  61  12.060 -24.443   0.151
  468    HZ1  LYS  61           HZ1      LYS  61  11.892 -26.532   1.417
  469    HZ2  LYS  61           HZ2      LYS  61  12.512 -27.379   0.161
  470    HZ3  LYS  61           HZ3      LYS  61  13.426 -26.280   0.933
  471    H    LYS  62           H        LYS  62  10.017 -23.574   3.417
  472    HA   LYS  62           HA       LYS  62   9.069 -20.824   4.045
  473    HB2  LYS  62           HB2      LYS  62   8.724 -22.348   5.989
  474    HB3  LYS  62           HB3      LYS  62  10.409 -22.856   5.899
  475    HG2  LYS  62           HG2      LYS  62  11.124 -20.511   6.402
  476    HG3  LYS  62           HG3      LYS  62   9.418 -20.039   6.540
  477    HD2  LYS  62           HD2      LYS  62   9.108 -21.584   8.421
  478    HD3  LYS  62           HD3      LYS  62  10.764 -22.200   8.225
  479    HE2  LYS  62           HE2      LYS  62  11.664 -19.930   8.706
  480    HE3  LYS  62           HE3      LYS  62  10.018 -19.329   8.946
  481    HZ1  LYS  62           HZ1      LYS  62   9.806 -20.880  10.816
  482    HZ2  LYS  62           HZ2      LYS  62  11.328 -21.428  10.584
  483    HZ3  LYS  62           HZ3      LYS  62  11.079 -19.889  11.048
  484    H    GLU  63           H        GLU  63  10.728 -19.275   3.786
  485    HA   GLU  63           HA       GLU  63  13.493 -20.110   3.327
  486    HB2  GLU  63           HB2      GLU  63  11.718 -19.009   1.092
  487    HB3  GLU  63           HB3      GLU  63  13.485 -18.957   1.060
  488    HG2  GLU  63           HG2      GLU  63  13.494 -21.479   1.350
  489    HG3  GLU  63           HG3      GLU  63  11.742 -21.448   1.108
  490    H    LEU  64           H        LEU  64  14.860 -18.182   3.025
  491    HA   LEU  64           HA       LEU  64  14.158 -16.070   4.837
  492    HB2  LEU  64           HB2      LEU  64  16.507 -16.966   4.335
  493    HB3  LEU  64           HB3      LEU  64  16.372 -16.257   2.729
  494    HG   LEU  64           HG       LEU  64  15.979 -13.988   4.009
  495   HD11  LEU  64          HD11      LEU  64  15.744 -15.100   6.272
  496   HD12  LEU  64          HD12      LEU  64  17.446 -15.572   6.169
  497   HD13  LEU  64          HD13      LEU  64  16.998 -13.852   6.216
  498   HD21  LEU  64          HD21      LEU  64  17.962 -14.460   2.655
  499   HD22  LEU  64          HD22      LEU  64  18.436 -13.637   4.148
  500   HD23  LEU  64          HD23      LEU  64  18.685 -15.386   3.986
  501    H    LEU  65           H        LEU  65  13.133 -14.182   4.407
  502    HA   LEU  65           HA       LEU  65  11.660 -13.737   2.060
  503    HB2  LEU  65           HB2      LEU  65  11.240 -12.767   4.306
  504    HB3  LEU  65           HB3      LEU  65  12.612 -11.687   4.121
  505    HG   LEU  65           HG       LEU  65  10.332 -11.708   2.097
  506   HD11  LEU  65          HD11      LEU  65   9.352 -11.321   4.391
  507   HD12  LEU  65          HD12      LEU  65  10.528 -10.035   4.672
  508   HD13  LEU  65          HD13      LEU  65   9.285  -9.854   3.420
  509   HD21  LEU  65          HD21      LEU  65  10.933  -9.279   1.886
  510   HD22  LEU  65          HD22      LEU  65  12.315  -9.535   2.966
  511   HD23  LEU  65          HD23      LEU  65  12.234 -10.310   1.370
  512    H    TYR  66           H        TYR  66  14.807 -12.319   3.035
  513    HA   TYR  66           HA       TYR  66  14.988 -10.574   0.848
  514    HB2  TYR  66           HB2      TYR  66  17.315 -11.791   2.366
  515    HB3  TYR  66           HB3      TYR  66  17.274 -10.237   1.539
  516    HD1  TYR  66           HD2      TYR  66  15.176  -8.660   2.367
  517    HD2  TYR  66           HD1      TYR  66  17.099 -11.731   4.715
  518    HE1  TYR  66           HE2      TYR  66  14.278  -7.641   4.435
  519    HE2  TYR  66           HE1      TYR  66  16.212 -10.719   6.782
  520    HH   TYR  66           HH       TYR  66  14.917  -9.009   7.698
  521    H    ASP  67           H        ASP  67  15.522 -14.038   0.889
  522    HA   ASP  67           HA       ASP  67  17.039 -14.007  -1.651
  523    HB2  ASP  67           HB2      ASP  67  17.526 -15.769  -0.004
  524    HB3  ASP  67           HB3      ASP  67  15.846 -16.311  -0.066
  525    H    VAL  68           H        VAL  68  13.732 -14.737  -0.395
  526    HA   VAL  68           HA       VAL  68  12.577 -15.490  -2.874
  527    HB   VAL  68           HB       VAL  68  11.252 -14.144  -0.451
  528   HG11  VAL  68          HG11      VAL  68   9.829 -14.073  -2.500
  529   HG12  VAL  68          HG12      VAL  68  10.022 -15.824  -2.693
  530   HG13  VAL  68          HG13      VAL  68   9.175 -15.167  -1.277
  531   HG21  VAL  68          HG21      VAL  68  11.631 -17.092  -1.210
  532   HG22  VAL  68          HG22      VAL  68  12.346 -16.277   0.186
  533   HG23  VAL  68          HG23      VAL  68  10.602 -16.512   0.110
  534    H    ALA  69           H        ALA  69  13.029 -12.276  -1.385
  535    HA   ALA  69           HA       ALA  69  11.729 -10.811  -3.484
  536    HB1  ALA  69           HB1      ALA  69  11.900 -10.027  -1.143
  537    HB2  ALA  69           HB2      ALA  69  13.667  -9.896  -1.320
  538    HB3  ALA  69           HB3      ALA  69  12.594  -8.859  -2.283
  539    H    GLY  70           H        GLY  70  14.531 -12.520  -3.803
  540    HA2  GLY  70           HA2      GLY  70  16.579 -10.845  -4.462
  541    HA3  GLY  70           HA3      GLY  70  16.336 -12.453  -5.151
  542    H    SER  71           H        SER  71  13.785 -11.516  -6.596
  543    HA   SER  71           HA       SER  71  14.899 -10.838  -9.068
  544    HB2  SER  71           HB2      SER  71  12.108 -10.182  -8.064
  545    HB3  SER  71           HB3      SER  71  12.613 -10.370  -9.751
  546    HG   SER  71           HG       SER  71  13.133 -12.570  -9.224
  547    H    ASP  72           H        ASP  72  13.527  -8.669  -6.557
  548    HA   ASP  72           HA       ASP  72  14.923  -6.358  -7.547
  549    HB2  ASP  72           HB2      ASP  72  13.157  -6.484  -9.274
  550    HB3  ASP  72           HB3      ASP  72  11.942  -6.490  -7.999
  551    H    LYS  73           H        LYS  73  11.796  -6.941  -5.951
  552    HA   LYS  73           HA       LYS  73  12.639  -5.550  -3.487
  553    HB2  LYS  73           HB2      LYS  73  10.872  -4.432  -5.700
  554    HB3  LYS  73           HB3      LYS  73  10.682  -3.862  -4.029
  555    HG2  LYS  73           HG2      LYS  73  13.085  -3.131  -4.069
  556    HG3  LYS  73           HG3      LYS  73  13.148  -3.619  -5.767
  557    HD2  LYS  73           HD2      LYS  73  11.151  -2.027  -6.161
  558    HD3  LYS  73           HD3      LYS  73  11.491  -1.405  -4.542
  559    HE2  LYS  73           HE2      LYS  73  12.674   0.045  -5.978
  560    HE3  LYS  73           HE3      LYS  73  13.912  -1.037  -5.332
  561    HZ1  LYS  73           HZ1      LYS  73  13.710  -2.326  -7.450
  562    HZ2  LYS  73           HZ2      LYS  73  12.636  -1.231  -8.001
  563    HZ3  LYS  73           HZ3      LYS  73  14.171  -0.771  -7.703
  564    H    TYR  74           H        TYR  74  10.479  -5.163  -2.169
  565    HA   TYR  74           HA       TYR  74   8.263  -6.935  -2.774
  566    HB2  TYR  74           HB2      TYR  74   8.408  -8.232  -0.765
  567    HB3  TYR  74           HB3      TYR  74   9.917  -8.415  -1.615
  568    HD1  TYR  74           HD1      TYR  74  12.005  -7.212  -0.724
  569    HD2  TYR  74           HD2      TYR  74   8.263  -7.182   1.425
  570    HE1  TYR  74           HE1      TYR  74  13.187  -6.480   1.320
  571    HE2  TYR  74           HE2      TYR  74   9.433  -6.446   3.469
  572    HH   TYR  74           HH       TYR  74  11.482  -5.882   4.427
  573    H    GLN  75           H        GLN  75   6.540  -6.570  -1.011
  574    HA   GLN  75           HA       GLN  75   6.982  -4.428   0.845
  575    HB2  GLN  75           HB2      GLN  75   5.166  -2.928   0.072
  576    HB3  GLN  75           HB3      GLN  75   6.537  -2.985  -1.027
  577    HG2  GLN  75           HG2      GLN  75   5.221  -4.638  -2.443
  578    HG3  GLN  75           HG3      GLN  75   3.813  -4.269  -1.437
  579   HE21  GLN  75          HE22      GLN  75   4.108  -3.824  -4.333
  580   HE22  GLN  75          HE21      GLN  75   4.027  -2.087  -4.593
  581    H    VAL  76           H        VAL  76   5.142  -4.188   2.346
  582    HA   VAL  76           HA       VAL  76   3.676  -6.667   2.791
  583    HB   VAL  76           HB       VAL  76   3.534  -3.893   4.065
  584   HG11  VAL  76          HG11      VAL  76   2.215  -5.041   5.885
  585   HG12  VAL  76          HG12      VAL  76   1.344  -4.894   4.359
  586   HG13  VAL  76          HG13      VAL  76   2.063  -6.454   4.815
  587   HG21  VAL  76          HG21      VAL  76   4.640  -6.517   5.158
  588   HG22  VAL  76          HG22      VAL  76   5.627  -5.167   4.555
  589   HG23  VAL  76          HG23      VAL  76   4.611  -4.950   5.986
  590    H    ASN  77           H        ASN  77   1.638  -7.078   2.061
  591    HA   ASN  77           HA       ASN  77  -0.118  -4.905   1.209
  592    HB2  ASN  77           HB2      ASN  77   1.142  -5.377  -0.885
  593    HB3  ASN  77           HB3      ASN  77   0.584  -7.047  -0.831
  594   HD21  ASN  77          HD22      ASN  77  -0.086  -5.877  -3.084
  595   HD22  ASN  77          HD21      ASN  77  -1.757  -5.325  -3.109
  596    H    ASN  78           H        ASN  78  -0.663  -5.958   3.342
  597    HA   ASN  78           HA       ASN  78  -2.086  -8.478   3.368
  598    HB2  ASN  78           HB2      ASN  78  -3.011  -7.542   5.538
  599    HB3  ASN  78           HB3      ASN  78  -1.302  -7.947   5.440
  600   HD21  ASN  78          HD21      ASN  78  -0.707  -6.635   7.221
  601   HD22  ASN  78          HD22      ASN  78  -0.704  -4.892   7.082
  602    H    LYS  79           H        LYS  79  -3.318  -8.345   1.555
  603    HA   LYS  79           HA       LYS  79  -5.110  -6.540   0.625
  604    HB2  LYS  79           HB2      LYS  79  -5.563  -9.538   0.891
  605    HB3  LYS  79           HB3      LYS  79  -6.480  -8.491  -0.175
  606    HG2  LYS  79           HG2      LYS  79  -3.470  -8.976  -0.378
  607    HG3  LYS  79           HG3      LYS  79  -4.677  -9.867  -1.276
  608    HD2  LYS  79           HD2      LYS  79  -4.121  -6.883  -1.512
  609    HD3  LYS  79           HD3      LYS  79  -3.611  -8.128  -2.642
  610    HE2  LYS  79           HE2      LYS  79  -6.482  -7.273  -2.076
  611    HE3  LYS  79           HE3      LYS  79  -5.527  -6.910  -3.513
  612    HZ1  LYS  79           HZ1      LYS  79  -6.517  -9.577  -2.710
  613    HZ2  LYS  79           HZ2      LYS  79  -6.943  -8.715  -4.022
  614    HZ3  LYS  79           HZ3      LYS  79  -5.445  -9.368  -3.929
  615    H    HIS  80           H        HIS  80  -6.536  -5.318   1.696
  616    HA   HIS  80           HA       HIS  80  -8.198  -4.617   2.984
  617    HB2  HIS  80           HB2      HIS  80  -9.407  -7.340   2.520
  618    HB3  HIS  80           HB3      HIS  80 -10.238  -5.835   2.941
  619    HD2  HIS  80           HD2      HIS  80  -9.584  -3.736   0.944
  620    HE1  HIS  80           HE1      HIS  80  -9.865  -6.556  -2.236
  621    HE2  HIS  80           HE2      HIS  80  -9.845  -4.080  -1.646
  622    H    ASP  81           H        ASP  81  -5.976  -5.640   4.506
  623    HA   ASP  81           HA       ASP  81  -6.750  -6.884   6.901
  624    HB2  ASP  81           HB2      ASP  81  -4.481  -6.118   6.330
  625    HB3  ASP  81           HB3      ASP  81  -4.983  -4.435   6.464
  626    H    ASP  82           H        ASP  82  -8.127  -4.093   5.588
  627    HA   ASP  82           HA       ASP  82  -8.838  -2.665   8.076
  628    HB2  ASP  82           HB2      ASP  82  -8.213  -1.359   6.118
  629    HB3  ASP  82           HB3      ASP  82  -9.373  -2.222   5.112
  630    H    LYS  83           H        LYS  83 -10.092  -5.141   5.963
  631    HA   LYS  83           HA       LYS  83 -12.858  -4.806   7.061
  632    HB2  LYS  83           HB2      LYS  83 -12.237  -5.684   4.219
  633    HB3  LYS  83           HB3      LYS  83 -13.781  -5.172   4.907
  634    HG2  LYS  83           HG2      LYS  83 -12.692  -2.871   5.224
  635    HG3  LYS  83           HG3      LYS  83 -11.346  -3.492   4.224
  636    HD2  LYS  83           HD2      LYS  83 -13.080  -4.068   2.453
  637    HD3  LYS  83           HD3      LYS  83 -14.265  -3.153   3.403
  638    HE2  LYS  83           HE2      LYS  83 -11.617  -2.126   2.308
  639    HE3  LYS  83           HE3      LYS  83 -13.203  -1.819   1.587
  640    HZ1  LYS  83           HZ1      LYS  83 -12.273  -0.833   4.239
  641    HZ2  LYS  83           HZ2      LYS  83 -12.528   0.061   2.898
  642    HZ3  LYS  83           HZ3      LYS  83 -13.798  -0.627   3.649
  643    H    TYR  84           H        TYR  84 -10.224  -6.960   6.394
  644    HA   TYR  84           HA       TYR  84 -11.823  -9.338   7.189
  645    HB2  TYR  84           HB2      TYR  84 -10.097  -9.003   4.699
  646    HB3  TYR  84           HB3      TYR  84 -10.634 -10.563   5.302
  647    HD1  TYR  84           HD1      TYR  84 -13.171 -10.919   5.694
  648    HD2  TYR  84           HD2      TYR  84 -11.536  -7.846   3.167
  649    HE1  TYR  84           HE1      TYR  84 -15.337 -10.763   4.498
  650    HE2  TYR  84           HE2      TYR  84 -13.688  -7.664   1.963
  651    HH   TYR  84           HH       TYR  84 -15.874  -8.459   1.784
  652    H    SER  85           H        SER  85  -9.809 -11.191   6.908
  653    HA   SER  85           HA       SER  85  -8.289 -12.211   8.220
  654    HB2  SER  85           HB2      SER  85  -6.865  -9.570   8.429
  655    HB3  SER  85           HB3      SER  85  -6.220 -11.187   8.757
  656    HG   SER  85           HG       SER  85  -7.295 -10.414   6.228
  657    HA   PRO  86           HA       PRO  86 -10.225 -10.690  12.128
  658    HB2  PRO  86           HB2      PRO  86 -11.710 -12.911  12.727
  659    HB3  PRO  86           HB3      PRO  86 -12.314 -11.613  11.644
  660    HG2  PRO  86           HG2      PRO  86 -11.022 -14.252  10.886
  661    HG3  PRO  86           HG3      PRO  86 -12.513 -13.516  10.213
  662    HD2  PRO  86           HD2      PRO  86 -10.067 -13.290   9.008
  663    HD3  PRO  86           HD3      PRO  86 -11.285 -11.975   8.935
  664    H    LEU  87           H        LEU  87  -8.311 -13.255  11.040
  665    HA   LEU  87           HA       LEU  87  -7.986 -14.724  13.482
  666    HB2  LEU  87           HB2      LEU  87  -6.299 -14.591  10.959
  667    HB3  LEU  87           HB3      LEU  87  -6.194 -15.858  12.194
  668    HG   LEU  87           HG       LEU  87  -8.552 -15.258  10.348
  669   HD11  LEU  87          HD11      LEU  87  -6.634 -17.644  10.507
  670   HD12  LEU  87          HD12      LEU  87  -7.998 -17.474   9.377
  671   HD13  LEU  87          HD13      LEU  87  -6.616 -16.371   9.271
  672   HD21  LEU  87          HD21      LEU  87  -9.551 -17.370  11.256
  673   HD22  LEU  87          HD22      LEU  87  -8.276 -17.422  12.494
  674   HD23  LEU  87          HD23      LEU  87  -9.459 -16.093  12.466
  675    HA   PRO  88           HA       PRO  88  -4.648 -12.136  15.128
  676    HB2  PRO  88           HB2      PRO  88  -3.635 -13.755  17.060
  677    HB3  PRO  88           HB3      PRO  88  -5.251 -12.998  17.215
  678    HG2  PRO  88           HG2      PRO  88  -4.592 -15.797  16.262
  679    HG3  PRO  88           HG3      PRO  88  -5.806 -15.314  17.490
  680    HD2  PRO  88           HD2      PRO  88  -6.455 -15.791  14.865
  681    HD3  PRO  88           HD3      PRO  88  -7.297 -14.542  15.833
  682    H    CYS  89           H        CYS  89  -2.341 -12.050  14.924
  683    HA   CYS  89           HA       CYS  89  -1.228 -13.330  12.715
  684    HB2  CYS  89           HB2      CYS  89   0.232 -12.120  15.101
  685    HB3  CYS  89           HB3      CYS  89   0.935 -12.467  13.514
  686    HG   CYS  89           HG       CYS  89   0.547  -9.915  13.678
  687    H    SER  90           H        SER  90  -1.217 -14.443  16.112
  688    HA   SER  90           HA       SER  90   0.797 -16.392  15.987
  689    HB2  SER  90           HB2      SER  90  -0.679 -17.460  17.812
  690    HB3  SER  90           HB3      SER  90  -0.093 -15.808  18.089
  691    HG   SER  90           HG       SER  90  -2.315 -15.988  18.552
  692    H    LYS  91           H        LYS  91  -2.706 -16.901  15.569
  693    HA   LYS  91           HA       LYS  91  -2.539 -19.562  14.642
  694    HB2  LYS  91           HB2      LYS  91  -4.683 -17.449  14.144
  695    HB3  LYS  91           HB3      LYS  91  -4.879 -19.156  13.767
  696    HG2  LYS  91           HG2      LYS  91  -4.378 -18.061  16.572
  697    HG3  LYS  91           HG3      LYS  91  -5.956 -18.475  15.898
  698    HD2  LYS  91           HD2      LYS  91  -5.181 -20.841  15.607
  699    HD3  LYS  91           HD3      LYS  91  -3.647 -20.406  16.400
  700    HE2  LYS  91           HE2      LYS  91  -4.892 -19.679  18.418
  701    HE3  LYS  91           HE3      LYS  91  -6.419 -20.104  17.637
  702    HZ1  LYS  91           HZ1      LYS  91  -5.674 -22.416  17.582
  703    HZ2  LYS  91           HZ2      LYS  91  -4.263 -22.022  18.315
  704    HZ3  LYS  91           HZ3      LYS  91  -5.673 -21.854  19.110
  705    H    ILE  92           H        ILE  92  -2.493 -16.503  12.771
  706    HA   ILE  92           HA       ILE  92  -2.666 -17.701  10.196
  707    HB   ILE  92           HB       ILE  92  -1.287 -15.152  11.140
  708   HG12  ILE  92          HG12      ILE  92  -3.929 -15.450   9.657
  709   HG13  ILE  92          HG13      ILE  92  -3.866 -15.458  11.398
  710   HG21  ILE  92          HG21      ILE  92  -1.942 -16.033   8.293
  711   HG22  ILE  92          HG22      ILE  92  -1.328 -14.431   8.759
  712   HG23  ILE  92          HG23      ILE  92  -0.315 -15.841   8.977
  713   HD11  ILE  92          HD11      ILE  92  -4.405 -13.220  10.361
  714   HD12  ILE  92          HD12      ILE  92  -3.096 -13.226  11.551
  715   HD13  ILE  92          HD13      ILE  92  -2.716 -13.123   9.835
  716    H    ILE  93           H        ILE  93   0.245 -16.871  12.186
  717    HA   ILE  93           HA       ILE  93   2.129 -17.962  10.349
  718    HB   ILE  93           HB       ILE  93   2.261 -17.429  13.350
  719   HG12  ILE  93          HG12      ILE  93   3.430 -15.747  11.085
  720   HG13  ILE  93          HG13      ILE  93   1.815 -15.479  11.698
  721   HG21  ILE  93          HG21      ILE  93   4.748 -17.397  13.034
  722   HG22  ILE  93          HG22      ILE  93   4.049 -18.988  12.747
  723   HG23  ILE  93          HG23      ILE  93   4.507 -17.969  11.369
  724   HD11  ILE  93          HD11      ILE  93   3.192 -13.943  12.859
  725   HD12  ILE  93          HD12      ILE  93   2.786 -15.202  14.027
  726   HD13  ILE  93          HD13      ILE  93   4.396 -15.179  13.267
  727    H    GLN  94           H        GLN  94   0.520 -19.316  13.256
  728    HA   GLN  94           HA       GLN  94   1.891 -21.749  13.292
  729    HB2  GLN  94           HB2      GLN  94   0.693 -22.258  15.060
  730    HB3  GLN  94           HB3      GLN  94   0.089 -20.630  14.942
  731    HG2  GLN  94           HG2      GLN  94  -1.789 -21.923  15.350
  732    HG3  GLN  94           HG3      GLN  94  -1.886 -21.539  13.646
  733   HE21  GLN  94          HE22      GLN  94  -3.008 -23.317  12.796
  734   HE22  GLN  94          HE21      GLN  94  -2.509 -24.976  13.009
  735    H    ARG  95           H        ARG  95  -1.073 -20.897  11.457
  736    HA   ARG  95           HA       ARG  95  -1.383 -23.534  10.336
  737    HB2  ARG  95           HB2      ARG  95  -3.154 -21.820  10.536
  738    HB3  ARG  95           HB3      ARG  95  -2.388 -20.881   9.243
  739    HG2  ARG  95           HG2      ARG  95  -2.965 -22.454   7.596
  740    HG3  ARG  95           HG3      ARG  95  -2.989 -23.805   8.735
  741    HD2  ARG  95           HD2      ARG  95  -5.239 -23.322   8.006
  742    HD3  ARG  95           HD3      ARG  95  -5.052 -23.019   9.736
  743    HE   ARG  95           HE       ARG  95  -4.833 -20.593   9.187
  744   HH11  ARG  95          HH11      ARG  95  -6.752 -22.666   6.999
  745   HH12  ARG  95          HH12      ARG  95  -7.640 -21.328   6.339
  746   HH21  ARG  95          HH21      ARG  95  -5.865 -18.849   8.119
  747   HH22  ARG  95          HH22      ARG  95  -6.894 -19.178   6.783
  748    H    ALA  96           H        ALA  96   0.202 -20.502   9.132
  749    HA   ALA  96           HA       ALA  96   1.049 -21.444   6.661
  750    HB1  ALA  96           HB1      ALA  96   2.763 -19.743   6.736
  751    HB2  ALA  96           HB2      ALA  96   1.337 -19.090   7.565
  752    HB3  ALA  96           HB3      ALA  96   2.721 -19.677   8.501
  753    H    GLU  97           H        GLU  97   2.783 -21.791   9.788
  754    HA   GLU  97           HA       GLU  97   4.883 -23.294   8.532
  755    HB2  GLU  97           HB2      GLU  97   5.917 -23.488  10.632
  756    HB3  GLU  97           HB3      GLU  97   5.248 -21.862  10.512
  757    HG2  GLU  97           HG2      GLU  97   3.359 -22.518  11.937
  758    HG3  GLU  97           HG3      GLU  97   3.955 -24.172  12.036
  759    H    GLU  98           H        GLU  98   1.719 -24.383   9.694
  760    HA   GLU  98           HA       GLU  98   2.564 -27.094  10.204
  761    HB2  GLU  98           HB2      GLU  98   0.634 -26.371  11.345
  762    HB3  GLU  98           HB3      GLU  98   0.014 -25.499   9.960
  763    HG2  GLU  98           HG2      GLU  98  -1.372 -27.362  10.378
  764    HG3  GLU  98           HG3      GLU  98  -0.584 -27.495   8.813
  765    H    LEU  99           H        LEU  99   1.673 -25.047   7.503
  766    HA   LEU  99           HA       LEU  99   1.181 -27.271   5.671
  767    HB2  LEU  99           HB2      LEU  99   1.247 -24.265   5.285
  768    HB3  LEU  99           HB3      LEU  99   0.730 -25.423   4.061
  769    HG   LEU  99           HG       LEU  99  -0.594 -25.274   6.815
  770   HD11  LEU  99          HD11      LEU  99  -1.401 -23.836   4.255
  771   HD12  LEU  99          HD12      LEU  99  -2.351 -23.909   5.755
  772   HD13  LEU  99          HD13      LEU  99  -0.781 -23.090   5.749
  773   HD21  LEU  99          HD21      LEU  99  -1.542 -26.410   4.140
  774   HD22  LEU  99          HD22      LEU  99  -1.056 -27.345   5.568
  775   HD23  LEU  99          HD23      LEU  99  -2.499 -26.339   5.637
  776    H    VAL 100           H        VAL 100   3.999 -25.462   6.620
  777    HA   VAL 100           HA       VAL 100   5.513 -25.576   4.225
  778    HB   VAL 100           HB       VAL 100   6.317 -25.767   7.154
  779   HG11  VAL 100          HG11      VAL 100   8.134 -25.383   4.730
  780   HG12  VAL 100          HG12      VAL 100   8.612 -25.136   6.424
  781   HG13  VAL 100          HG13      VAL 100   8.163 -26.748   5.867
  782   HG21  VAL 100          HG21      VAL 100   6.903 -23.428   6.902
  783   HG22  VAL 100          HG22      VAL 100   6.565 -23.477   5.151
  784   HG23  VAL 100          HG23      VAL 100   5.252 -23.620   6.319
  785    H    GLY 101           H        GLY 101   6.329 -27.211   3.067
  786    HA2  GLY 101           HA2      GLY 101   7.293 -29.252   2.629
  787    HA3  GLY 101           HA3      GLY 101   6.891 -29.837   4.249
  788    H    GLN 102           H        GLN 102   4.024 -28.444   3.069
  789    HA   GLN 102           HA       GLN 102   3.020 -31.104   2.243
  790    HB2  GLN 102           HB2      GLN 102   1.534 -28.507   2.850
  791    HB3  GLN 102           HB3      GLN 102   0.791 -29.985   2.235
  792    HG2  GLN 102           HG2      GLN 102   1.750 -31.264   4.130
  793    HG3  GLN 102           HG3      GLN 102   2.355 -29.755   4.834
  794   HE21  GLN 102          HE22      GLN 102   1.074 -29.389   6.687
  795   HE22  GLN 102          HE21      GLN 102  -0.658 -29.570   6.706
  796    H    GLU 103           H        GLU 103   1.539 -31.101   0.374
  797    HA   GLU 103           HA       GLU 103   2.929 -29.760  -1.904
  798    HB2  GLU 103           HB2      GLU 103   1.879 -32.615  -1.782
  799    HB3  GLU 103           HB3      GLU 103   2.761 -31.864  -3.113
  800    HG2  GLU 103           HG2      GLU 103   4.755 -31.624  -1.579
  801    HG3  GLU 103           HG3      GLU 103   3.863 -32.495  -0.336
  802    H    VAL 104           H        VAL 104   1.682 -29.237  -3.747
  803    HA   VAL 104           HA       VAL 104  -1.242 -29.663  -3.557
  804    HB   VAL 104           HB       VAL 104  -1.512 -27.371  -4.356
  805   HG11  VAL 104          HG11      VAL 104  -1.848 -27.915  -1.963
  806   HG12  VAL 104          HG12      VAL 104  -0.160 -27.471  -1.634
  807   HG13  VAL 104          HG13      VAL 104  -1.308 -26.244  -2.201
  808   HG21  VAL 104          HG21      VAL 104   0.764 -26.940  -5.219
  809   HG22  VAL 104          HG22      VAL 104   0.133 -25.663  -4.185
  810   HG23  VAL 104          HG23      VAL 104   1.337 -26.791  -3.534
  811    H    LEU 105           H        LEU 105  -2.351 -29.290  -5.601
  812    HA   LEU 105           HA       LEU 105  -0.743 -30.496  -7.767
  813    HB2  LEU 105           HB2      LEU 105  -2.948 -31.401  -6.305
  814    HB3  LEU 105           HB3      LEU 105  -3.705 -30.766  -7.729
  815    HG   LEU 105           HG       LEU 105  -3.346 -33.113  -8.047
  816   HD11  LEU 105          HD11      LEU 105  -1.901 -33.309 -10.003
  817   HD12  LEU 105          HD12      LEU 105  -2.857 -31.824 -10.081
  818   HD13  LEU 105          HD13      LEU 105  -1.138 -31.746  -9.645
  819   HD21  LEU 105          HD21      LEU 105  -1.156 -34.216  -7.807
  820   HD22  LEU 105          HD22      LEU 105  -0.433 -32.680  -7.270
  821   HD23  LEU 105          HD23      LEU 105  -1.687 -33.459  -6.299
  822    H    TYR 106           H        TYR 106  -0.980 -27.719  -7.390
  823    HA   TYR 106           HA       TYR 106  -1.865 -27.004 -10.122
  824    HB2  TYR 106           HB2      TYR 106  -2.591 -24.781  -9.339
  825    HB3  TYR 106           HB3      TYR 106  -3.609 -26.085  -8.772
  826    HD1  TYR 106           HD1      TYR 106  -0.798 -23.831  -7.671
  827    HD2  TYR 106           HD2      TYR 106  -4.118 -26.305  -6.464
  828    HE1  TYR 106           HE1      TYR 106  -0.587 -22.977  -5.354
  829    HE2  TYR 106           HE2      TYR 106  -3.926 -25.448  -4.152
  830    HH   TYR 106           HH       TYR 106  -2.787 -24.012  -2.710
  831    H    LYS 107           H        LYS 107  -0.465 -25.610 -11.193
  832    HA   LYS 107           HA       LYS 107   2.210 -25.516 -10.474
  833    HB2  LYS 107           HB2      LYS 107   0.681 -25.227 -12.739
  834    HB3  LYS 107           HB3      LYS 107   0.877 -23.524 -12.371
  835    HG2  LYS 107           HG2      LYS 107   3.361 -23.884 -12.388
  836    HG3  LYS 107           HG3      LYS 107   3.054 -25.584 -12.752
  837    HD2  LYS 107           HD2      LYS 107   2.256 -23.239 -14.529
  838    HD3  LYS 107           HD3      LYS 107   3.711 -24.221 -14.749
  839    HE2  LYS 107           HE2      LYS 107   2.304 -26.252 -15.054
  840    HE3  LYS 107           HE3      LYS 107   0.845 -25.266 -14.873
  841    HZ1  LYS 107           HZ1      LYS 107   1.503 -24.041 -16.863
  842    HZ2  LYS 107           HZ2      LYS 107   2.849 -24.953 -17.037
  843    HZ3  LYS 107           HZ3      LYS 107   1.376 -25.628 -17.197
  844    H    LEU 108           H        LEU 108   3.494 -23.451 -10.444
  845    HA   LEU 108           HA       LEU 108   2.461 -21.457  -8.583
  846    HB2  LEU 108           HB2      LEU 108   4.925 -21.369 -10.396
  847    HB3  LEU 108           HB3      LEU 108   4.536 -20.248  -9.093
  848    HG   LEU 108           HG       LEU 108   5.335 -23.172  -8.860
  849   HD11  LEU 108          HD11      LEU 108   6.514 -20.585  -7.747
  850   HD12  LEU 108          HD12      LEU 108   7.157 -22.217  -7.507
  851   HD13  LEU 108          HD13      LEU 108   7.141 -21.514  -9.129
  852   HD21  LEU 108          HD21      LEU 108   5.061 -22.895  -6.404
  853   HD22  LEU 108          HD22      LEU 108   4.261 -21.329  -6.691
  854   HD23  LEU 108          HD23      LEU 108   3.519 -22.844  -7.266
  855    H    THR 109           H        THR 109   1.279 -19.759  -9.083
  856    HA   THR 109           HA       THR 109   1.735 -18.277 -11.523
  857    HB   THR 109           HB       THR 109  -0.628 -17.893 -11.979
  858    HG1  THR 109           HG1      THR 109  -2.210 -19.197 -11.012
  859   HG21  THR 109          HG21      THR 109  -0.184 -20.910 -12.004
  860   HG22  THR 109          HG22      THR 109  -1.289 -19.976 -13.031
  861   HG23  THR 109          HG23      THR 109   0.459 -19.778 -13.219
  862    H    SER 110           H        SER 110   1.307 -16.006 -11.004
  863    HA   SER 110           HA       SER 110   1.691 -15.215  -8.366
  864    HB2  SER 110           HB2      SER 110   0.209 -13.724 -10.569
  865    HB3  SER 110           HB3      SER 110   1.086 -13.017  -9.192
  866    HG   SER 110           HG       SER 110   2.929 -13.468 -10.066
  867    H    GLU 111           H        GLU 111  -1.363 -15.916 -10.092
  868    HA   GLU 111           HA       GLU 111  -3.064 -14.806  -8.039
  869    HB2  GLU 111           HB2      GLU 111  -3.889 -16.912 -10.058
  870    HB3  GLU 111           HB3      GLU 111  -4.879 -15.680  -9.285
  871    HG2  GLU 111           HG2      GLU 111  -2.871 -15.386 -11.532
  872    HG3  GLU 111           HG3      GLU 111  -4.591 -15.027 -11.558
  873    H    ASN 112           H        ASN 112  -1.809 -18.133  -8.741
  874    HA   ASN 112           HA       ASN 112  -3.405 -19.407  -6.716
  875    HB2  ASN 112           HB2      ASN 112  -0.818 -20.191  -8.115
  876    HB3  ASN 112           HB3      ASN 112  -1.510 -21.161  -6.826
  877   HD21  ASN 112          HD22      ASN 112  -1.147 -22.194  -9.470
  878   HD22  ASN 112          HD21      ASN 112  -2.737 -22.492 -10.130
  879    H    CYS 113           H        CYS 113  -0.112 -17.933  -6.669
  880    HA   CYS 113           HA       CYS 113   0.412 -18.647  -3.951
  881    HB2  CYS 113           HB2      CYS 113   1.441 -16.251  -5.538
  882    HB3  CYS 113           HB3      CYS 113   2.127 -16.887  -4.032
  883    HG   CYS 113           HG       CYS 113   3.614 -17.560  -6.114
  884    H    GLU 114           H        GLU 114  -1.088 -15.678  -5.414
  885    HA   GLU 114           HA       GLU 114  -1.417 -14.263  -3.003
  886    HB2  GLU 114           HB2      GLU 114  -1.741 -13.425  -5.388
  887    HB3  GLU 114           HB3      GLU 114  -3.329 -14.174  -5.383
  888    HG2  GLU 114           HG2      GLU 114  -4.059 -12.800  -3.521
  889    HG3  GLU 114           HG3      GLU 114  -2.439 -12.172  -3.260
  890    H    HIS 115           H        HIS 115  -3.566 -16.591  -4.645
  891    HA   HIS 115           HA       HIS 115  -5.782 -16.462  -2.906
  892    HB2  HIS 115           HB2      HIS 115  -5.850 -17.486  -5.118
  893    HB3  HIS 115           HB3      HIS 115  -4.679 -18.708  -4.644
  894    HD2  HIS 115           HD2      HIS 115  -5.509 -20.668  -2.930
  895    HE1  HIS 115           HE1      HIS 115  -9.678 -19.993  -3.479
  896    HE2  HIS 115           HE2      HIS 115  -7.932 -21.589  -2.531
  897    H    PHE 116           H        PHE 116  -2.920 -18.707  -2.858
  898    HA   PHE 116           HA       PHE 116  -3.772 -20.129  -0.582
  899    HB2  PHE 116           HB2      PHE 116  -2.010 -21.020  -1.952
  900    HB3  PHE 116           HB3      PHE 116  -1.032 -19.572  -1.764
  901    HD1  PHE 116           HD2      PHE 116  -2.195 -22.669  -0.044
  902    HD2  PHE 116           HD1      PHE 116   0.359 -19.204   0.187
  903    HE1  PHE 116           HE2      PHE 116  -0.988 -23.673   1.877
  904    HE2  PHE 116           HE1      PHE 116   1.515 -20.168   2.147
  905    HZ   PHE 116           HZ       PHE 116   0.865 -22.431   2.980
  906    H    VAL 117           H        VAL 117  -1.477 -17.331  -0.690
  907    HA   VAL 117           HA       VAL 117  -1.210 -17.385   2.146
  908    HB   VAL 117           HB       VAL 117  -0.142 -15.266   2.045
  909   HG11  VAL 117          HG11      VAL 117   0.700 -16.938  -0.344
  910   HG12  VAL 117          HG12      VAL 117   1.678 -15.751   0.520
  911   HG13  VAL 117          HG13      VAL 117   1.152 -17.216   1.358
  912   HG21  VAL 117          HG21      VAL 117  -0.904 -15.032  -0.894
  913   HG22  VAL 117          HG22      VAL 117  -1.628 -14.079   0.409
  914   HG23  VAL 117          HG23      VAL 117   0.091 -13.905   0.048
  915    H    ASN 118           H        ASN 118  -3.680 -15.812   0.130
  916    HA   ASN 118           HA       ASN 118  -4.830 -14.287   2.307
  917    HB2  ASN 118           HB2      ASN 118  -5.782 -15.082  -0.455
  918    HB3  ASN 118           HB3      ASN 118  -6.941 -14.496   0.735
  919   HD21  ASN 118          HD22      ASN 118  -3.910 -13.596  -0.943
  920   HD22  ASN 118          HD21      ASN 118  -4.019 -11.879  -0.568
  921    H    GLU 119           H        GLU 119  -5.359 -17.601   1.083
  922    HA   GLU 119           HA       GLU 119  -7.479 -18.372   2.698
  923    HB2  GLU 119           HB2      GLU 119  -5.811 -19.616   0.914
  924    HB3  GLU 119           HB3      GLU 119  -5.122 -20.237   2.422
  925    HG2  GLU 119           HG2      GLU 119  -7.430 -20.982   3.060
  926    HG3  GLU 119           HG3      GLU 119  -7.967 -20.429   1.457
  927    H    LEU 120           H        LEU 120  -3.988 -18.194   3.517
  928    HA   LEU 120           HA       LEU 120  -4.281 -19.218   6.150
  929    HB2  LEU 120           HB2      LEU 120  -2.114 -17.314   5.233
  930    HB3  LEU 120           HB3      LEU 120  -2.046 -18.447   6.584
  931    HG   LEU 120           HG       LEU 120  -2.174 -19.118   3.630
  932   HD11  LEU 120          HD11      LEU 120   0.125 -20.089   4.157
  933   HD12  LEU 120          HD12      LEU 120  -0.006 -18.324   4.202
  934   HD13  LEU 120          HD13      LEU 120   0.023 -19.265   5.715
  935   HD21  LEU 120          HD21      LEU 120  -1.835 -21.455   4.275
  936   HD22  LEU 120          HD22      LEU 120  -1.970 -21.014   6.001
  937   HD23  LEU 120          HD23      LEU 120  -3.366 -20.867   4.902
  938    H    ARG 121           H        ARG 121  -4.094 -15.825   4.932
  939    HA   ARG 121           HA       ARG 121  -4.110 -14.829   7.627
  940    HB2  ARG 121           HB2      ARG 121  -3.146 -13.791   5.393
  941    HB3  ARG 121           HB3      ARG 121  -4.750 -13.033   5.287
  942    HG2  ARG 121           HG2      ARG 121  -4.404 -12.152   7.630
  943    HG3  ARG 121           HG3      ARG 121  -2.811 -12.926   7.642
  944    HD2  ARG 121           HD2      ARG 121  -2.069 -11.546   5.786
  945    HD3  ARG 121           HD3      ARG 121  -3.643 -10.735   5.713
  946    HE   ARG 121           HE       ARG 121  -1.559 -10.546   7.841
  947   HH11  ARG 121          HH21      ARG 121  -4.931  -9.675   7.027
  948   HH12  ARG 121          HH22      ARG 121  -4.836  -8.188   7.967
  949   HH21  ARG 121          HH12      ARG 121  -1.509  -8.320   8.798
  950   HH22  ARG 121          HH11      ARG 121  -3.081  -7.563   9.017
  951    H    TYR 122           H        TYR 122  -6.674 -15.309   5.224
  952    HA   TYR 122           HA       TYR 122  -8.590 -13.848   6.946
  953    HB2  TYR 122           HB2      TYR 122  -8.601 -13.419   4.544
  954    HB3  TYR 122           HB3      TYR 122  -8.829 -15.129   4.210
  955    HD1  TYR 122           HD1      TYR 122 -10.865 -13.563   6.927
  956    HD2  TYR 122           HD2      TYR 122 -10.682 -14.632   2.750
  957    HE1  TYR 122           HE1      TYR 122 -13.307 -13.327   6.767
  958    HE2  TYR 122           HE2      TYR 122 -13.126 -14.370   2.573
  959    HH   TYR 122           HH       TYR 122 -15.109 -13.882   3.705
  960    H    GLY 123           H        GLY 123  -8.149 -17.184   5.642
  961    HA2  GLY 123           HA2      GLY 123  -8.925 -18.829   7.608
  962    HA3  GLY 123           HA3      GLY 123 -10.487 -18.116   7.183
  963    H    VAL 124           H        VAL 124 -10.444 -17.754   4.547
  964    HA   VAL 124           HA       VAL 124  -9.373 -19.915   3.034
  965    HB   VAL 124           HB       VAL 124 -11.223 -21.128   4.014
  966   HG11  VAL 124          HG11      VAL 124 -13.152 -19.103   2.820
  967   HG12  VAL 124          HG12      VAL 124 -13.564 -20.608   3.663
  968   HG13  VAL 124          HG13      VAL 124 -12.790 -19.290   4.551
  969   HG21  VAL 124          HG21      VAL 124 -10.570 -21.623   1.696
  970   HG22  VAL 124          HG22      VAL 124 -12.282 -21.954   1.998
  971   HG23  VAL 124          HG23      VAL 124 -11.812 -20.496   1.103
  972    H    ALA 125           H        ALA 125  -9.016 -19.028   0.962
  973    HA   ALA 125           HA       ALA 125  -9.754 -16.245   0.554
  974    HB1  ALA 125           HB1      ALA 125  -7.591 -17.011  -0.217
  975    HB2  ALA 125           HB2      ALA 125  -8.337 -18.287  -1.203
  976    HB3  ALA 125           HB3      ALA 125  -8.576 -16.579  -1.625
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1   4.847   4.634  -8.980
    2    H2   MET   1           H2       MET   1   5.550   3.181  -8.699
    3    H3   MET   1           H3       MET   1   4.025   3.244  -9.280
    4    HA   MET   1           HA       MET   1   4.900   4.162  -6.634
    5    HB2  MET   1           HB2      MET   1   3.034   5.519  -7.583
    6    HB3  MET   1           HB3      MET   1   2.066   4.051  -7.764
    7    HG2  MET   1           HG2      MET   1   2.117   3.715  -5.309
    8    HG3  MET   1           HG3      MET   1   3.185   5.109  -5.135
    9    HE1  MET   1           HE1      MET   1  -0.437   3.806  -5.753
   10    HE2  MET   1           HE2      MET   1  -1.341   5.283  -6.148
   11    HE3  MET   1           HE3      MET   1  -0.182   4.620  -7.316
   12    H    ARG   2           H        ARG   2   4.822   2.638  -5.001
   13    HA   ARG   2           HA       ARG   2   3.227   0.218  -5.279
   14    HB2  ARG   2           HB2      ARG   2   5.043  -1.348  -4.938
   15    HB3  ARG   2           HB3      ARG   2   5.369  -0.412  -6.391
   16    HG2  ARG   2           HG2      ARG   2   6.898   1.074  -4.952
   17    HG3  ARG   2           HG3      ARG   2   6.681  -0.117  -3.659
   18    HD2  ARG   2           HD2      ARG   2   7.552  -1.880  -5.268
   19    HD3  ARG   2           HD3      ARG   2   7.902  -0.584  -6.406
   20    HE   ARG   2           HE       ARG   2   9.517   0.346  -4.911
   21   HH11  ARG   2          HH11      ARG   2   8.411  -2.890  -3.899
   22   HH12  ARG   2          HH12      ARG   2   9.442  -2.970  -2.530
   23   HH21  ARG   2          HH21      ARG   2  11.079   0.127  -3.238
   24   HH22  ARG   2          HH22      ARG   2  11.141  -1.301  -2.280
   25    H    ALA   3           H        ALA   3   3.139  -0.912  -3.139
   26    HA   ALA   3           HA       ALA   3   2.851   0.933  -0.995
   27    HB1  ALA   3           HB1      ALA   3   2.954  -2.115  -1.028
   28    HB2  ALA   3           HB2      ALA   3   2.481  -1.143   0.375
   29    HB3  ALA   3           HB3      ALA   3   1.509  -1.088  -1.106
   30    HA   PRO   4           HA       PRO   4   7.014   0.958   0.595
   31    HB2  PRO   4           HB2      PRO   4   6.675   1.813   3.168
   32    HB3  PRO   4           HB3      PRO   4   6.303   2.829   1.754
   33    HG2  PRO   4           HG2      PRO   4   4.357   1.171   3.392
   34    HG3  PRO   4           HG3      PRO   4   4.223   2.889   2.915
   35    HD2  PRO   4           HD2      PRO   4   3.032   0.862   1.501
   36    HD3  PRO   4           HD3      PRO   4   3.670   2.328   0.700
   37    H    ILE   5           H        ILE   5   8.217   0.239   2.759
   38    HA   ILE   5           HA       ILE   5   7.299  -2.373   3.801
   39    HB   ILE   5           HB       ILE   5   9.699  -3.156   3.694
   40   HG12  ILE   5          HG12      ILE   5  10.032  -1.045   1.502
   41   HG13  ILE   5          HG13      ILE   5  10.706  -0.865   3.118
   42   HG21  ILE   5          HG21      ILE   5   8.299  -2.745   1.024
   43   HG22  ILE   5          HG22      ILE   5   9.439  -4.035   1.426
   44   HG23  ILE   5          HG23      ILE   5   7.874  -3.982   2.234
   45   HD11  ILE   5          HD11      ILE   5  12.424  -1.670   1.635
   46   HD12  ILE   5          HD12      ILE   5  12.031  -2.951   2.795
   47   HD13  ILE   5          HD13      ILE   5  11.434  -3.040   1.118
   48    HA   PRO   6           HA       PRO   6   8.645   1.076   6.614
   49    HB2  PRO   6           HB2      PRO   6   6.422   1.516   8.122
   50    HB3  PRO   6           HB3      PRO   6   6.593   2.128   6.448
   51    HG2  PRO   6           HG2      PRO   6   5.125  -0.359   7.357
   52    HG3  PRO   6           HG3      PRO   6   4.573   0.919   6.232
   53    HD2  PRO   6           HD2      PRO   6   5.699  -1.437   5.366
   54    HD3  PRO   6           HD3      PRO   6   5.889   0.105   4.498
   55    H    GLU   7           H        GLU   7   6.627  -1.601   7.809
   56    HA   GLU   7           HA       GLU   7   8.626  -2.659   9.587
   57    HB2  GLU   7           HB2      GLU   7   7.300  -2.250  11.706
   58    HB3  GLU   7           HB3      GLU   7   8.206  -0.900  11.061
   59    HG2  GLU   7           HG2      GLU   7   6.116   0.083  10.115
   60    HG3  GLU   7           HG3      GLU   7   5.189  -1.251  10.790
   61    HA   PRO   8           HA       PRO   8   5.328  -5.658   8.124
   62    HB2  PRO   8           HB2      PRO   8   7.838  -7.285   7.836
   63    HB3  PRO   8           HB3      PRO   8   6.410  -7.210   6.763
   64    HG2  PRO   8           HG2      PRO   8   8.747  -5.974   6.088
   65    HG3  PRO   8           HG3      PRO   8   7.169  -5.192   5.760
   66    HD2  PRO   8           HD2      PRO   8   9.065  -4.681   8.061
   67    HD3  PRO   8           HD3      PRO   8   8.195  -3.511   7.025
   68    H    LYS   9           H        LYS   9   4.523  -7.247   9.540
   69    HA   LYS   9           HA       LYS   9   6.152  -7.992  11.927
   70    HB2  LYS   9           HB2      LYS   9   3.302  -6.923  11.776
   71    HB3  LYS   9           HB3      LYS   9   3.935  -7.743  13.207
   72    HG2  LYS   9           HG2      LYS   9   5.629  -6.066  13.563
   73    HG3  LYS   9           HG3      LYS   9   5.321  -5.332  11.992
   74    HD2  LYS   9           HD2      LYS   9   2.982  -4.761  12.788
   75    HD3  LYS   9           HD3      LYS   9   3.521  -5.222  14.426
   76    HE2  LYS   9           HE2      LYS   9   5.388  -3.590  14.264
   77    HE3  LYS   9           HE3      LYS   9   4.937  -3.226  12.595
   78    HZ1  LYS   9           HZ1      LYS   9   3.391  -2.529  15.008
   79    HZ2  LYS   9           HZ2      LYS   9   4.128  -1.526  13.923
   80    HZ3  LYS   9           HZ3      LYS   9   2.802  -2.375  13.483
   81    HA   PRO  10           HA       PRO  10   5.209 -12.147  11.161
   82    HB2  PRO  10           HB2      PRO  10   3.889 -12.292  13.881
   83    HB3  PRO  10           HB3      PRO  10   5.038 -13.443  13.123
   84    HG2  PRO  10           HG2      PRO  10   5.942 -11.640  14.920
   85    HG3  PRO  10           HG3      PRO  10   6.865 -11.926  13.408
   86    HD2  PRO  10           HD2      PRO  10   4.989  -9.655  14.066
   87    HD3  PRO  10           HD3      PRO  10   6.562  -9.623  13.215
   88    H    GLY  11           H        GLY  11   3.715 -13.142   9.946
   89    HA2  GLY  11           HA2      GLY  11   1.680 -13.973   9.302
   90    HA3  GLY  11           HA3      GLY  11   0.844 -12.974  10.501
   91    H    ASP  12           H        ASP  12   2.928 -10.835   8.852
   92    HA   ASP  12           HA       ASP  12   0.684  -9.709   7.412
   93    HB2  ASP  12           HB2      ASP  12   3.632  -9.014   7.546
   94    HB3  ASP  12           HB3      ASP  12   2.522  -8.237   6.423
   95    H    LEU  13           H        LEU  13   0.359  -9.476   5.231
   96    HA   LEU  13           HA       LEU  13   1.291 -11.686   3.503
   97    HB2  LEU  13           HB2      LEU  13  -0.501  -9.265   2.991
   98    HB3  LEU  13           HB3      LEU  13   0.080 -10.328   1.734
   99    HG   LEU  13           HG       LEU  13  -2.144 -10.810   3.692
  100   HD11  LEU  13          HD11      LEU  13  -1.731 -11.561   0.787
  101   HD12  LEU  13          HD12      LEU  13  -3.229 -11.671   1.741
  102   HD13  LEU  13          HD13      LEU  13  -2.525 -10.087   1.371
  103   HD21  LEU  13          HD21      LEU  13  -0.433 -13.008   2.475
  104   HD22  LEU  13          HD22      LEU  13  -0.683 -12.723   4.209
  105   HD23  LEU  13          HD23      LEU  13  -2.040 -13.256   3.205
  106    H    ILE  14           H        ILE  14   2.954 -11.512   2.156
  107    HA   ILE  14           HA       ILE  14   4.224  -8.867   1.637
  108    HB   ILE  14           HB       ILE  14   5.419 -11.669   1.802
  109   HG12  ILE  14          HG12      ILE  14   5.027 -10.817   4.029
  110   HG13  ILE  14          HG13      ILE  14   6.741 -10.932   3.681
  111   HG21  ILE  14          HG21      ILE  14   6.728  -9.049   1.013
  112   HG22  ILE  14          HG22      ILE  14   7.639 -10.510   1.465
  113   HG23  ILE  14          HG23      ILE  14   6.588 -10.518   0.048
  114   HD11  ILE  14          HD11      ILE  14   6.266  -8.895   4.935
  115   HD12  ILE  14          HD12      ILE  14   6.840  -8.460   3.317
  116   HD13  ILE  14          HD13      ILE  14   5.107  -8.364   3.711
  117    H    GLU  15           H        GLU  15   4.693  -8.488  -0.559
  118    HA   GLU  15           HA       GLU  15   4.012 -10.668  -2.446
  119    HB2  GLU  15           HB2      GLU  15   3.019  -9.291  -4.002
  120    HB3  GLU  15           HB3      GLU  15   2.238  -8.836  -2.484
  121    HG2  GLU  15           HG2      GLU  15   3.833  -6.903  -2.320
  122    HG3  GLU  15           HG3      GLU  15   4.469  -7.337  -3.917
  123    H    ILE  16           H        ILE  16   5.459 -10.847  -4.072
  124    HA   ILE  16           HA       ILE  16   8.108  -9.532  -3.688
  125    HB   ILE  16           HB       ILE  16   7.364 -12.291  -4.707
  126   HG12  ILE  16          HG12      ILE  16   6.820 -12.251  -2.319
  127   HG13  ILE  16          HG13      ILE  16   8.123 -13.346  -2.705
  128   HG21  ILE  16          HG21      ILE  16   9.437 -11.555  -5.657
  129   HG22  ILE  16          HG22      ILE  16  10.083 -11.091  -4.074
  130   HG23  ILE  16          HG23      ILE  16   9.792 -12.804  -4.466
  131   HD11  ILE  16          HD11      ILE  16   8.454 -10.579  -1.490
  132   HD12  ILE  16          HD12      ILE  16   8.569 -12.126  -0.628
  133   HD13  ILE  16          HD13      ILE  16   9.784 -11.703  -1.847
  134    H    PHE  17           H        PHE  17   8.546  -8.286  -5.459
  135    HA   PHE  17           HA       PHE  17   7.031  -8.680  -8.002
  136    HB2  PHE  17           HB2      PHE  17   9.107  -6.684  -7.062
  137    HB3  PHE  17           HB3      PHE  17   8.717  -6.882  -8.760
  138    HD1  PHE  17           HD1      PHE  17   5.622  -7.384  -6.981
  139    HD2  PHE  17           HD2      PHE  17   8.399  -4.328  -8.258
  140    HE1  PHE  17           HE1      PHE  17   3.792  -5.744  -7.042
  141    HE2  PHE  17           HE2      PHE  17   6.561  -2.665  -8.220
  142    HZ   PHE  17           HZ       PHE  17   4.248  -3.373  -7.636
  143    H    ARG  18           H        ARG  18   7.835  -9.728  -9.775
  144    HA   ARG  18           HA       ARG  18  10.545 -10.959  -9.578
  145    HB2  ARG  18           HB2      ARG  18   7.882 -11.942 -10.705
  146    HB3  ARG  18           HB3      ARG  18   9.396 -12.739 -11.064
  147    HG2  ARG  18           HG2      ARG  18   8.948 -12.354  -8.146
  148    HG3  ARG  18           HG3      ARG  18   7.692 -13.312  -8.933
  149    HD2  ARG  18           HD2      ARG  18   9.249 -14.914  -9.742
  150    HD3  ARG  18           HD3      ARG  18  10.635 -13.887  -9.380
  151    HE   ARG  18           HE       ARG  18  10.555 -14.402  -7.143
  152   HH11  ARG  18          HH21      ARG  18   7.979 -16.214  -8.831
  153   HH12  ARG  18          HH22      ARG  18   7.306 -16.849  -7.369
  154   HH21  ARG  18          HH11      ARG  18   9.862 -15.510  -5.289
  155   HH22  ARG  18          HH12      ARG  18   8.530 -16.614  -5.348
  156    HA   PRO  19           HA       PRO  19  11.775  -8.895 -13.131
  157    HB2  PRO  19           HB2      PRO  19  11.969 -11.445 -14.743
  158    HB3  PRO  19           HB3      PRO  19  13.162 -10.117 -14.591
  159    HG2  PRO  19           HG2      PRO  19  13.480 -12.377 -13.143
  160    HG3  PRO  19           HG3      PRO  19  13.721 -10.781 -12.357
  161    HD2  PRO  19           HD2      PRO  19  11.301 -12.587 -12.252
  162    HD3  PRO  19           HD3      PRO  19  12.098 -11.696 -10.924
  163    H    PHE  20           H        PHE  20   9.079 -11.069 -13.847
  164    HA   PHE  20           HA       PHE  20   7.996  -9.058 -15.745
  165    HB2  PHE  20           HB2      PHE  20   7.410 -10.796 -17.342
  166    HB3  PHE  20           HB3      PHE  20   9.139 -10.766 -17.079
  167    HD1  PHE  20           HD1      PHE  20  10.295 -12.634 -15.931
  168    HD2  PHE  20           HD2      PHE  20   6.035 -12.725 -16.615
  169    HE1  PHE  20           HE1      PHE  20  10.257 -15.055 -15.393
  170    HE2  PHE  20           HE2      PHE  20   6.006 -15.146 -16.083
  171    HZ   PHE  20           HZ       PHE  20   8.113 -16.317 -15.466
  172    H    TYR  21           H        TYR  21   7.366 -10.361 -12.835
  173    HA   TYR  21           HA       TYR  21   4.523 -10.270 -13.075
  174    HB2  TYR  21           HB2      TYR  21   3.866 -12.474 -12.677
  175    HB3  TYR  21           HB3      TYR  21   4.937 -12.548 -14.043
  176    HD1  TYR  21           HD2      TYR  21   7.547 -13.032 -13.336
  177    HD2  TYR  21           HD1      TYR  21   4.061 -14.150 -11.056
  178    HE1  TYR  21           HE2      TYR  21   8.763 -14.996 -12.455
  179    HE2  TYR  21           HE1      TYR  21   5.297 -16.056 -10.088
  180    HH   TYR  21           HH       TYR  21   8.621 -16.929 -11.138
  181    H    ARG  22           H        ARG  22   4.143 -12.017 -10.655
  182    HA   ARG  22           HA       ARG  22   5.514 -10.577  -8.545
  183    HB2  ARG  22           HB2      ARG  22   3.947  -8.880  -9.303
  184    HB3  ARG  22           HB3      ARG  22   2.613 -10.015  -9.316
  185    HG2  ARG  22           HG2      ARG  22   4.036  -9.434  -6.700
  186    HG3  ARG  22           HG3      ARG  22   2.976  -8.213  -7.393
  187    HD2  ARG  22           HD2      ARG  22   2.158 -11.033  -6.624
  188    HD3  ARG  22           HD3      ARG  22   1.745  -9.550  -5.775
  189    HE   ARG  22           HE       ARG  22   0.583 -10.581  -8.260
  190   HH11  ARG  22          HH21      ARG  22   0.850  -7.653  -6.185
  191   HH12  ARG  22          HH22      ARG  22  -0.549  -6.924  -6.885
  192   HH21  ARG  22          HH11      ARG  22  -1.283  -9.572  -9.116
  193   HH22  ARG  22          HH12      ARG  22  -1.777  -8.027  -8.554
  194    H    HIS  23           H        HIS  23   5.296 -11.771  -6.641
  195    HA   HIS  23           HA       HIS  23   3.652 -14.272  -6.735
  196    HB2  HIS  23           HB2      HIS  23   6.095 -14.513  -7.289
  197    HB3  HIS  23           HB3      HIS  23   6.494 -13.877  -5.707
  198    HD2  HIS  23           HD2      HIS  23   6.465 -15.530  -3.654
  199    HE1  HIS  23           HE1      HIS  23   5.707 -19.065  -5.893
  200    HE2  HIS  23           HE2      HIS  23   6.538 -18.153  -3.676
  201    H    TRP  24           H        TRP  24   3.424 -15.137  -4.361
  202    HA   TRP  24           HA       TRP  24   3.133 -12.836  -2.485
  203    HB2  TRP  24           HB2      TRP  24   1.022 -14.873  -3.238
  204    HB3  TRP  24           HB3      TRP  24   0.986 -13.936  -1.770
  205    HD1  TRP  24           HD1      TRP  24   0.553 -13.502  -5.544
  206    HE1  TRP  24           HE1      TRP  24  -0.517 -11.235  -6.009
  207    HE3  TRP  24           HE3      TRP  24   0.700 -11.613  -0.826
  208    HZ2  TRP  24           HZ2      TRP  24  -1.207  -8.832  -4.492
  209    HZ3  TRP  24           HZ3      TRP  24  -0.153  -9.316  -0.344
  210    HH2  TRP  24           HH2      TRP  24  -1.077  -7.923  -2.172
  211    H    ALA  25           H        ALA  25   3.301 -13.295  -0.350
  212    HA   ALA  25           HA       ALA  25   4.212 -15.933   0.574
  213    HB1  ALA  25           HB1      ALA  25   6.190 -14.855  -0.526
  214    HB2  ALA  25           HB2      ALA  25   5.942 -13.399   0.452
  215    HB3  ALA  25           HB3      ALA  25   6.389 -14.929   1.226
  216    H    ILE  26           H        ILE  26   4.654 -15.722   3.026
  217    HA   ILE  26           HA       ILE  26   3.296 -13.384   4.254
  218    HB   ILE  26           HB       ILE  26   1.758 -15.178   3.856
  219   HG12  ILE  26          HG12      ILE  26   2.186 -14.894   6.833
  220   HG13  ILE  26          HG13      ILE  26   1.486 -13.652   5.773
  221   HG21  ILE  26          HG21      ILE  26   3.266 -17.131   3.974
  222   HG22  ILE  26          HG22      ILE  26   3.249 -16.979   5.754
  223   HG23  ILE  26          HG23      ILE  26   1.771 -17.324   4.828
  224   HD11  ILE  26          HD11      ILE  26   0.359 -16.415   6.293
  225   HD12  ILE  26          HD12      ILE  26  -0.363 -14.833   6.699
  226   HD13  ILE  26          HD13      ILE  26  -0.218 -15.341   5.007
  227    H    TYR  27           H        TYR  27   4.298 -12.567   5.946
  228    HA   TYR  27           HA       TYR  27   7.028 -13.331   6.376
  229    HB2  TYR  27           HB2      TYR  27   6.079 -11.015   6.243
  230    HB3  TYR  27           HB3      TYR  27   5.263 -11.281   7.768
  231    HD1  TYR  27           HD1      TYR  27   8.687 -11.287   6.192
  232    HD2  TYR  27           HD2      TYR  27   6.368 -10.723   9.754
  233    HE1  TYR  27           HE1      TYR  27  10.649 -10.233   7.289
  234    HE2  TYR  27           HE2      TYR  27   8.312  -9.662  10.884
  235    HH   TYR  27           HH       TYR  27  10.568  -9.109  10.710
  236    H    VAL  28           H        VAL  28   7.926 -14.453   7.990
  237    HA   VAL  28           HA       VAL  28   6.486 -15.020  10.507
  238    HB   VAL  28           HB       VAL  28   7.002 -17.444  10.323
  239   HG11  VAL  28          HG11      VAL  28   5.111 -18.100   8.994
  240   HG12  VAL  28          HG12      VAL  28   4.710 -16.586   9.822
  241   HG13  VAL  28          HG13      VAL  28   5.123 -16.570   8.097
  242   HG21  VAL  28          HG21      VAL  28   7.408 -17.003   7.338
  243   HG22  VAL  28          HG22      VAL  28   8.728 -17.287   8.487
  244   HG23  VAL  28          HG23      VAL  28   7.498 -18.528   8.249
  245    H    GLY  29           H        GLY  29   8.049 -16.104  12.094
  246    HA2  GLY  29           HA2      GLY  29  10.027 -16.181  13.206
  247    HA3  GLY  29           HA3      GLY  29  10.748 -16.520  11.627
  248    H    ASP  30           H        ASP  30   9.175 -13.454  12.123
  249    HA   ASP  30           HA       ASP  30   9.879 -11.417  11.578
  250    HB2  ASP  30           HB2      ASP  30  10.042 -11.470  14.022
  251    HB3  ASP  30           HB3      ASP  30  11.762 -11.867  13.891
  252    H    GLY  31           H        GLY  31  10.871 -12.893   9.658
  253    HA2  GLY  31           HA2      GLY  31  12.681 -11.319   8.387
  254    HA3  GLY  31           HA3      GLY  31  13.743 -12.441   9.252
  255    H    TYR  32           H        TYR  32  11.175 -14.374   8.744
  256    HA   TYR  32           HA       TYR  32  12.243 -15.423   6.174
  257    HB2  TYR  32           HB2      TYR  32  10.946 -16.734   8.590
  258    HB3  TYR  32           HB3      TYR  32  11.117 -17.546   7.042
  259    HD1  TYR  32           HD1      TYR  32  13.054 -15.995   9.855
  260    HD2  TYR  32           HD2      TYR  32  13.159 -18.522   6.349
  261    HE1  TYR  32           HE1      TYR  32  15.366 -16.669  10.415
  262    HE2  TYR  32           HE2      TYR  32  15.483 -19.195   6.902
  263    HH   TYR  32           HH       TYR  32  17.215 -17.948   9.797
  264    H    VAL  33           H        VAL  33  10.539 -16.601   4.924
  265    HA   VAL  33           HA       VAL  33   7.801 -15.635   5.409
  266    HB   VAL  33           HB       VAL  33   7.523 -15.451   2.900
  267   HG11  VAL  33          HG11      VAL  33   7.398 -13.470   4.220
  268   HG12  VAL  33          HG12      VAL  33   9.166 -13.345   4.302
  269   HG13  VAL  33          HG13      VAL  33   8.314 -13.104   2.757
  270   HG21  VAL  33          HG21      VAL  33  10.553 -15.154   2.875
  271   HG22  VAL  33          HG22      VAL  33   9.623 -16.462   2.130
  272   HG23  VAL  33          HG23      VAL  33   9.459 -14.811   1.518
  273    H    VAL  34           H        VAL  34   6.222 -17.048   4.715
  274    HA   VAL  34           HA       VAL  34   7.070 -19.719   3.713
  275    HB   VAL  34           HB       VAL  34   4.685 -18.670   5.252
  276   HG11  VAL  34          HG11      VAL  34   4.712 -21.261   3.659
  277   HG12  VAL  34          HG12      VAL  34   3.530 -20.844   4.921
  278   HG13  VAL  34          HG13      VAL  34   3.602 -19.875   3.453
  279   HG21  VAL  34          HG21      VAL  34   6.641 -19.561   6.454
  280   HG22  VAL  34          HG22      VAL  34   5.213 -20.575   6.715
  281   HG23  VAL  34          HG23      VAL  34   6.475 -21.096   5.585
  282    H    HIS  35           H        HIS  35   6.446 -20.209   1.574
  283    HA   HIS  35           HA       HIS  35   4.471 -18.589   0.200
  284    HB2  HIS  35           HB2      HIS  35   5.812 -17.446  -1.335
  285    HB3  HIS  35           HB3      HIS  35   6.543 -17.119   0.223
  286    HD2  HIS  35           HD2      HIS  35   8.415 -19.834   0.375
  287    HE1  HIS  35           HE1      HIS  35  10.191 -18.225  -3.139
  288    HE2  HIS  35           HE2      HIS  35  10.514 -19.850  -1.232
  289    H    LEU  36           H        LEU  36   4.496 -19.202  -2.266
  290    HA   LEU  36           HA       LEU  36   4.619 -22.123  -2.408
  291    HB2  LEU  36           HB2      LEU  36   3.798 -19.982  -4.415
  292    HB3  LEU  36           HB3      LEU  36   4.002 -21.663  -4.864
  293    HG   LEU  36           HG       LEU  36   1.648 -21.227  -4.569
  294   HD11  LEU  36          HD11      LEU  36   2.642 -22.910  -2.239
  295   HD12  LEU  36          HD12      LEU  36   1.032 -22.937  -2.966
  296   HD13  LEU  36          HD13      LEU  36   2.441 -23.465  -3.909
  297   HD21  LEU  36          HD21      LEU  36   0.673 -20.466  -2.574
  298   HD22  LEU  36          HD22      LEU  36   2.186 -20.529  -1.659
  299   HD23  LEU  36          HD23      LEU  36   1.962 -19.313  -2.944
  300    H    ALA  37           H        ALA  37   5.891 -23.282  -3.831
  301    HA   ALA  37           HA       ALA  37   8.265 -22.045  -5.093
  302    HB1  ALA  37           HB1      ALA  37   8.928 -22.761  -2.812
  303    HB2  ALA  37           HB2      ALA  37   8.211 -24.367  -3.091
  304    HB3  ALA  37           HB3      ALA  37   9.638 -23.856  -4.010
  305    HA   PRO  38           HA       PRO  38   7.067 -24.834  -8.273
  306    HB2  PRO  38           HB2      PRO  38   9.434 -25.867  -9.310
  307    HB3  PRO  38           HB3      PRO  38   8.823 -24.209  -9.598
  308    HG2  PRO  38           HG2      PRO  38  10.840 -25.121  -7.531
  309    HG3  PRO  38           HG3      PRO  38  10.950 -23.717  -8.645
  310    HD2  PRO  38           HD2      PRO  38  10.173 -23.405  -6.082
  311    HD3  PRO  38           HD3      PRO  38   9.372 -22.480  -7.384
  312    HA   PRO  39           HA       PRO  39   6.797 -28.868  -6.446
  313    HB2  PRO  39           HB2      PRO  39   5.909 -30.429  -8.491
  314    HB3  PRO  39           HB3      PRO  39   4.925 -29.092  -7.823
  315    HG2  PRO  39           HG2      PRO  39   6.692 -29.047 -10.296
  316    HG3  PRO  39           HG3      PRO  39   5.001 -28.484 -10.149
  317    HD2  PRO  39           HD2      PRO  39   7.150 -26.797  -9.953
  318    HD3  PRO  39           HD3      PRO  39   5.651 -26.529  -9.018
  319    H    SER  40           H        SER  40   8.894 -28.337  -9.203
  320    HA   SER  40           HA       SER  40  10.028 -30.813  -9.613
  321    HB2  SER  40           HB2      SER  40  11.539 -28.245 -10.004
  322    HB3  SER  40           HB3      SER  40  11.352 -29.620 -11.106
  323    HG   SER  40           HG       SER  40  10.263 -27.743 -11.749
  324    H    GLU  41           H        GLU  41  12.399 -31.344  -9.375
  325    HA   GLU  41           HA       GLU  41  13.945 -30.077  -7.318
  326    HB2  GLU  41           HB2      GLU  41  12.545 -31.722  -6.017
  327    HB3  GLU  41           HB3      GLU  41  13.236 -33.028  -6.980
  328    HG2  GLU  41           HG2      GLU  41  15.458 -32.586  -6.092
  329    HG3  GLU  41           HG3      GLU  41  14.914 -31.088  -5.336
  330    H    VAL  42           H        VAL  42  16.209 -30.925  -7.532
  331    HA   VAL  42           HA       VAL  42  17.151 -31.163 -10.092
  332    HB   VAL  42           HB       VAL  42  18.550 -32.453  -7.728
  333   HG11  VAL  42          HG11      VAL  42  20.593 -31.540  -8.803
  334   HG12  VAL  42          HG12      VAL  42  19.737 -32.632  -9.887
  335   HG13  VAL  42          HG13      VAL  42  19.605 -30.876 -10.124
  336   HG21  VAL  42          HG21      VAL  42  17.817 -30.330  -6.828
  337   HG22  VAL  42          HG22      VAL  42  19.518 -30.179  -7.232
  338   HG23  VAL  42          HG23      VAL  42  18.299 -29.471  -8.313
  339    H    ALA  43           H        ALA  43  15.835 -33.813  -8.184
  340    HA   ALA  43           HA       ALA  43  15.982 -35.579 -10.496
  341    HB1  ALA  43           HB1      ALA  43  17.059 -37.406  -9.220
  342    HB2  ALA  43           HB2      ALA  43  18.141 -36.001  -9.349
  343    HB3  ALA  43           HB3      ALA  43  17.277 -36.317  -7.829
  344    H    GLY  44           H        GLY  44  14.579 -37.465 -10.134
  345    HA2  GLY  44           HA2      GLY  44  12.879 -38.697  -9.229
  346    HA3  GLY  44           HA3      GLY  44  13.034 -37.788  -7.722
  347    H    ALA  45           H        ALA  45  12.200 -35.445  -7.852
  348    HA   ALA  45           HA       ALA  45   9.449 -35.508  -8.867
  349    HB1  ALA  45           HB1      ALA  45  10.938 -33.303  -7.382
  350    HB2  ALA  45           HB2      ALA  45   9.188 -33.426  -7.630
  351    HB3  ALA  45           HB3      ALA  45  10.014 -34.615  -6.609
  352    H    GLY  46           H        GLY  46  12.403 -34.675 -10.297
  353    HA2  GLY  46           HA2      GLY  46  11.329 -33.560 -12.641
  354    HA3  GLY  46           HA3      GLY  46  11.912 -32.237 -11.605
  355    H    ALA  47           H        ALA  47  13.485 -31.967 -13.403
  356    HA   ALA  47           HA       ALA  47  15.942 -33.557 -12.859
  357    HB1  ALA  47           HB1      ALA  47  16.615 -33.205 -15.187
  358    HB2  ALA  47           HB2      ALA  47  15.064 -34.060 -15.119
  359    HB3  ALA  47           HB3      ALA  47  15.109 -32.324 -15.517
  360    H    ALA  48           H        ALA  48  14.529 -30.817 -12.015
  361    HA   ALA  48           HA       ALA  48  16.905 -29.319 -11.518
  362    HB1  ALA  48           HB1      ALA  48  16.346 -28.524 -13.897
  363    HB2  ALA  48           HB2      ALA  48  14.759 -27.992 -13.267
  364    HB3  ALA  48           HB3      ALA  48  16.252 -27.263 -12.655
  365    H    SER  49           H        SER  49  16.315 -27.773  -9.786
  366    HA   SER  49           HA       SER  49  13.691 -28.224  -8.573
  367    HB2  SER  49           HB2      SER  49  16.023 -26.477  -7.715
  368    HB3  SER  49           HB3      SER  49  14.596 -26.885  -6.739
  369    HG   SER  49           HG       SER  49  16.398 -28.251  -6.318
  370    H    VAL  50           H        VAL  50  13.512 -27.015 -11.176
  371    HA   VAL  50           HA       VAL  50  12.090 -24.569 -10.516
  372    HB   VAL  50           HB       VAL  50  13.069 -23.366 -12.505
  373   HG11  VAL  50          HG11      VAL  50  13.626 -22.744 -10.174
  374   HG12  VAL  50          HG12      VAL  50  15.032 -23.828 -10.231
  375   HG13  VAL  50          HG13      VAL  50  14.945 -22.425 -11.311
  376   HG21  VAL  50          HG21      VAL  50  15.431 -25.248 -12.195
  377   HG22  VAL  50          HG22      VAL  50  14.240 -25.369 -13.512
  378   HG23  VAL  50          HG23      VAL  50  15.242 -23.919 -13.349
  379    H    MET  51           H        MET  51  10.893 -23.826 -12.644
  380    HA   MET  51           HA       MET  51   9.173 -25.997 -13.232
  381    HB2  MET  51           HB2      MET  51   9.312 -23.072 -13.952
  382    HB3  MET  51           HB3      MET  51   8.197 -24.083 -14.860
  383    HG2  MET  51           HG2      MET  51   8.213 -23.907 -11.837
  384    HG3  MET  51           HG3      MET  51   7.137 -23.018 -12.917
  385    HE1  MET  51           HE1      MET  51   4.914 -23.842 -11.840
  386    HE2  MET  51           HE2      MET  51   4.592 -25.534 -11.406
  387    HE3  MET  51           HE3      MET  51   5.895 -24.638 -10.589
  388    H    SER  52           H        SER  52  12.059 -26.159 -14.494
  389    HA   SER  52           HA       SER  52  11.613 -26.523 -17.308
  390    HB2  SER  52           HB2      SER  52  13.464 -28.086 -15.464
  391    HB3  SER  52           HB3      SER  52  13.613 -27.877 -17.218
  392    HG   SER  52           HG       SER  52  14.991 -26.442 -16.140
  393    H    ALA  53           H        ALA  53  11.007 -28.487 -14.383
  394    HA   ALA  53           HA       ALA  53   9.756 -30.679 -15.911
  395    HB1  ALA  53           HB1      ALA  53  11.125 -31.191 -13.910
  396    HB2  ALA  53           HB2      ALA  53  10.007 -30.233 -12.908
  397    HB3  ALA  53           HB3      ALA  53   9.437 -31.704 -13.715
  398    H    LEU  54           H        LEU  54   8.570 -28.442 -16.672
  399    HA   LEU  54           HA       LEU  54   6.676 -27.118 -15.228
  400    HB2  LEU  54           HB2      LEU  54   7.307 -26.511 -17.509
  401    HB3  LEU  54           HB3      LEU  54   6.564 -27.978 -18.144
  402    HG   LEU  54           HG       LEU  54   4.325 -27.170 -17.486
  403   HD11  LEU  54          HD11      LEU  54   4.016 -24.824 -16.738
  404   HD12  LEU  54          HD12      LEU  54   4.836 -25.791 -15.516
  405   HD13  LEU  54          HD13      LEU  54   5.777 -24.665 -16.520
  406   HD21  LEU  54          HD21      LEU  54   5.233 -26.619 -19.710
  407   HD22  LEU  54          HD22      LEU  54   4.153 -25.348 -19.119
  408   HD23  LEU  54          HD23      LEU  54   5.915 -25.109 -19.068
  409    H    THR  55           H        THR  55   4.942 -27.721 -14.080
  410    HA   THR  55           HA       THR  55   3.042 -29.692 -15.085
  411    HB   THR  55           HB       THR  55   4.093 -29.931 -12.245
  412    HG1  THR  55           HG1      THR  55   5.832 -30.462 -13.641
  413   HG21  THR  55          HG21      THR  55   1.918 -30.975 -12.639
  414   HG22  THR  55          HG22      THR  55   2.560 -31.864 -14.038
  415   HG23  THR  55          HG23      THR  55   3.138 -32.227 -12.396
  416    H    ASP  56           H        ASP  56   0.992 -29.332 -13.975
  417    HA   ASP  56           HA       ASP  56   0.653 -26.579 -13.008
  418    HB2  ASP  56           HB2      ASP  56  -0.859 -27.398 -14.687
  419    HB3  ASP  56           HB3      ASP  56  -1.295 -28.794 -13.684
  420    H    LYS  57           H        LYS  57   2.172 -27.571 -11.260
  421    HA   LYS  57           HA       LYS  57   0.567 -28.128  -8.826
  422    HB2  LYS  57           HB2      LYS  57   3.035 -29.674  -9.766
  423    HB3  LYS  57           HB3      LYS  57   2.434 -29.700  -8.098
  424    HG2  LYS  57           HG2      LYS  57   0.288 -30.552  -8.843
  425    HG3  LYS  57           HG3      LYS  57   0.849 -30.551 -10.534
  426    HD2  LYS  57           HD2      LYS  57   2.689 -32.138  -9.868
  427    HD3  LYS  57           HD3      LYS  57   1.991 -32.207  -8.236
  428    HE2  LYS  57           HE2      LYS  57  -0.151 -33.047  -9.211
  429    HE3  LYS  57           HE3      LYS  57   0.569 -32.997 -10.824
  430    HZ1  LYS  57           HZ1      LYS  57   0.664 -35.216  -9.882
  431    HZ2  LYS  57           HZ2      LYS  57   2.181 -34.660 -10.082
  432    HZ3  LYS  57           HZ3      LYS  57   1.513 -34.706  -8.589
  433    H    ALA  58           H        ALA  58   1.784 -27.668  -6.919
  434    HA   ALA  58           HA       ALA  58   4.394 -26.379  -7.129
  435    HB1  ALA  58           HB1      ALA  58   3.737 -24.259  -6.006
  436    HB2  ALA  58           HB2      ALA  58   3.002 -24.426  -7.605
  437    HB3  ALA  58           HB3      ALA  58   2.029 -24.711  -6.161
  438    H    ILE  59           H        ILE  59   5.001 -25.593  -4.775
  439    HA   ILE  59           HA       ILE  59   3.929 -27.428  -2.711
  440    HB   ILE  59           HB       ILE  59   6.757 -27.261  -3.802
  441   HG12  ILE  59          HG12      ILE  59   4.878 -29.482  -2.959
  442   HG13  ILE  59          HG13      ILE  59   5.220 -29.006  -4.624
  443   HG21  ILE  59          HG21      ILE  59   7.014 -26.894  -1.337
  444   HG22  ILE  59          HG22      ILE  59   6.098 -28.392  -1.045
  445   HG23  ILE  59          HG23      ILE  59   7.677 -28.423  -1.856
  446   HD11  ILE  59          HD11      ILE  59   7.632 -29.695  -4.248
  447   HD12  ILE  59          HD12      ILE  59   7.089 -30.435  -2.719
  448   HD13  ILE  59          HD13      ILE  59   6.432 -31.005  -4.259
  449    H    VAL  60           H        VAL  60   4.547 -26.688  -0.570
  450    HA   VAL  60           HA       VAL  60   4.747 -23.684  -0.482
  451    HB   VAL  60           HB       VAL  60   3.554 -25.690   1.452
  452   HG11  VAL  60          HG11      VAL  60   4.487 -23.749   2.683
  453   HG12  VAL  60          HG12      VAL  60   3.603 -22.636   1.613
  454   HG13  VAL  60          HG13      VAL  60   2.727 -23.718   2.718
  455   HG21  VAL  60          HG21      VAL  60   1.387 -24.780   0.937
  456   HG22  VAL  60          HG22      VAL  60   2.082 -23.560  -0.144
  457   HG23  VAL  60          HG23      VAL  60   2.126 -25.286  -0.577
  458    H    LYS  61           H        LYS  61   6.559 -22.839   0.549
  459    HA   LYS  61           HA       LYS  61   8.256 -24.646   2.195
  460    HB2  LYS  61           HB2      LYS  61   9.140 -23.062  -0.263
  461    HB3  LYS  61           HB3      LYS  61  10.269 -23.545   1.006
  462    HG2  LYS  61           HG2      LYS  61   9.547 -25.920   0.719
  463    HG3  LYS  61           HG3      LYS  61   8.597 -25.411  -0.697
  464    HD2  LYS  61           HD2      LYS  61  10.707 -24.530  -1.738
  465    HD3  LYS  61           HD3      LYS  61  11.614 -25.143  -0.340
  466    HE2  LYS  61           HE2      LYS  61  10.773 -27.446  -0.830
  467    HE3  LYS  61           HE3      LYS  61   9.928 -26.825  -2.254
  468    HZ1  LYS  61           HZ1      LYS  61  12.061 -27.790  -2.839
  469    HZ2  LYS  61           HZ2      LYS  61  12.093 -26.195  -3.173
  470    HZ3  LYS  61           HZ3      LYS  61  12.866 -26.776  -1.854
  471    H    LYS  62           H        LYS  62  10.013 -23.320   3.246
  472    HA   LYS  62           HA       LYS  62   9.114 -20.570   3.896
  473    HB2  LYS  62           HB2      LYS  62   8.567 -22.020   5.807
  474    HB3  LYS  62           HB3      LYS  62  10.208 -22.672   5.820
  475    HG2  LYS  62           HG2      LYS  62  11.084 -20.410   6.400
  476    HG3  LYS  62           HG3      LYS  62   9.427 -19.773   6.398
  477    HD2  LYS  62           HD2      LYS  62   8.814 -21.257   8.253
  478    HD3  LYS  62           HD3      LYS  62  10.398 -22.059   8.174
  479    HE2  LYS  62           HE2      LYS  62  11.510 -19.897   8.733
  480    HE3  LYS  62           HE3      LYS  62   9.921 -19.131   8.882
  481    HZ1  LYS  62           HZ1      LYS  62  10.870 -21.386  10.556
  482    HZ2  LYS  62           HZ2      LYS  62  10.800 -19.831  11.033
  483    HZ3  LYS  62           HZ3      LYS  62   9.415 -20.641  10.712
  484    H    GLU  63           H        GLU  63  10.806 -19.088   3.742
  485    HA   GLU  63           HA       GLU  63  13.593 -19.970   3.496
  486    HB2  GLU  63           HB2      GLU  63  12.041 -18.686   1.191
  487    HB3  GLU  63           HB3      GLU  63  13.805 -18.756   1.291
  488    HG2  GLU  63           HG2      GLU  63  13.643 -21.273   1.422
  489    HG3  GLU  63           HG3      GLU  63  11.907 -21.130   1.107
  490    H    LEU  64           H        LEU  64  15.007 -17.969   3.395
  491    HA   LEU  64           HA       LEU  64  14.052 -16.024   5.298
  492    HB2  LEU  64           HB2      LEU  64  16.455 -16.839   5.037
  493    HB3  LEU  64           HB3      LEU  64  16.520 -15.974   3.501
  494    HG   LEU  64           HG       LEU  64  15.971 -13.835   4.829
  495   HD11  LEU  64          HD11      LEU  64  16.474 -13.850   7.231
  496   HD12  LEU  64          HD12      LEU  64  15.148 -14.973   6.916
  497   HD13  LEU  64          HD13      LEU  64  16.779 -15.600   7.189
  498   HD21  LEU  64          HD21      LEU  64  18.217 -14.321   3.980
  499   HD22  LEU  64          HD22      LEU  64  18.322 -13.571   5.580
  500   HD23  LEU  64          HD23      LEU  64  18.568 -15.321   5.405
  501    H    LEU  65           H        LEU  65  13.194 -13.937   4.888
  502    HA   LEU  65           HA       LEU  65  11.930 -13.502   2.404
  503    HB2  LEU  65           HB2      LEU  65  11.216 -12.443   4.501
  504    HB3  LEU  65           HB3      LEU  65  12.663 -11.443   4.541
  505    HG   LEU  65           HG       LEU  65  10.920 -11.348   2.061
  506   HD11  LEU  65          HD11      LEU  65   9.282 -11.109   3.888
  507   HD12  LEU  65          HD12      LEU  65  10.278  -9.857   4.653
  508   HD13  LEU  65          HD13      LEU  65   9.516  -9.569   3.074
  509   HD21  LEU  65          HD21      LEU  65  12.391  -9.129   3.590
  510   HD22  LEU  65          HD22      LEU  65  13.032  -9.933   2.154
  511   HD23  LEU  65          HD23      LEU  65  11.573  -8.987   2.019
  512    H    TYR  66           H        TYR  66  15.028 -12.189   3.625
  513    HA   TYR  66           HA       TYR  66  15.415 -10.414   1.490
  514    HB2  TYR  66           HB2      TYR  66  17.536 -11.748   3.209
  515    HB3  TYR  66           HB3      TYR  66  17.710 -10.246   2.306
  516    HD1  TYR  66           HD1      TYR  66  15.871  -8.372   2.841
  517    HD2  TYR  66           HD2      TYR  66  16.919 -11.604   5.505
  518    HE1  TYR  66           HE1      TYR  66  14.884  -7.126   4.737
  519    HE2  TYR  66           HE2      TYR  66  15.936 -10.371   7.402
  520    HH   TYR  66           HH       TYR  66  14.849  -8.424   8.092
  521    H    ASP  67           H        ASP  67  15.821 -13.899   1.476
  522    HA   ASP  67           HA       ASP  67  17.520 -13.877  -0.939
  523    HB2  ASP  67           HB2      ASP  67  17.717 -15.750   0.636
  524    HB3  ASP  67           HB3      ASP  67  16.004 -16.132   0.430
  525    H    VAL  68           H        VAL  68  14.082 -14.507  -0.024
  526    HA   VAL  68           HA       VAL  68  13.182 -15.081  -2.658
  527    HB   VAL  68           HB       VAL  68  11.593 -13.983  -0.282
  528   HG11  VAL  68          HG11      VAL  68  10.700 -15.640  -2.697
  529   HG12  VAL  68          HG12      VAL  68   9.672 -15.110  -1.347
  530   HG13  VAL  68          HG13      VAL  68  10.364 -13.920  -2.456
  531   HG21  VAL  68          HG21      VAL  68  12.750 -16.060   0.388
  532   HG22  VAL  68          HG22      VAL  68  11.048 -16.416   0.117
  533   HG23  VAL  68          HG23      VAL  68  12.246 -16.863  -1.109
  534    H    ALA  69           H        ALA  69  13.372 -12.001  -0.850
  535    HA   ALA  69           HA       ALA  69  12.148 -10.298  -2.737
  536    HB1  ALA  69           HB1      ALA  69  12.658  -9.623  -0.438
  537    HB2  ALA  69           HB2      ALA  69  14.405  -9.777  -0.750
  538    HB3  ALA  69           HB3      ALA  69  13.466  -8.526  -1.580
  539    H    GLY  70           H        GLY  70  15.234 -11.937  -2.930
  540    HA2  GLY  70           HA2      GLY  70  16.677 -10.217  -4.670
  541    HA3  GLY  70           HA3      GLY  70  16.864 -11.970  -4.492
  542    H    SER  71           H        SER  71  13.769 -12.033  -5.254
  543    HA   SER  71           HA       SER  71  13.847 -12.610  -7.988
  544    HB2  SER  71           HB2      SER  71  11.593 -11.394  -6.349
  545    HB3  SER  71           HB3      SER  71  11.418 -12.226  -7.901
  546    HG   SER  71           HG       SER  71  12.163 -13.282  -5.370
  547    H    ASP  72           H        ASP  72  13.064  -9.494  -6.401
  548    HA   ASP  72           HA       ASP  72  14.516  -7.911  -8.243
  549    HB2  ASP  72           HB2      ASP  72  12.505  -8.268  -9.698
  550    HB3  ASP  72           HB3      ASP  72  11.512  -7.637  -8.384
  551    H    LYS  73           H        LYS  73  11.582  -7.751  -6.293
  552    HA   LYS  73           HA       LYS  73  12.629  -5.897  -4.281
  553    HB2  LYS  73           HB2      LYS  73  10.828  -5.174  -6.628
  554    HB3  LYS  73           HB3      LYS  73  10.678  -4.292  -5.085
  555    HG2  LYS  73           HG2      LYS  73  13.195  -3.821  -5.316
  556    HG3  LYS  73           HG3      LYS  73  13.037  -4.421  -6.979
  557    HD2  LYS  73           HD2      LYS  73  11.523  -2.048  -5.821
  558    HD3  LYS  73           HD3      LYS  73  12.975  -1.966  -6.828
  559    HE2  LYS  73           HE2      LYS  73  11.720  -3.231  -8.626
  560    HE3  LYS  73           HE3      LYS  73  10.255  -3.072  -7.651
  561    HZ1  LYS  73           HZ1      LYS  73  10.510  -0.643  -7.839
  562    HZ2  LYS  73           HZ2      LYS  73  11.852  -0.826  -8.753
  563    HZ3  LYS  73           HZ3      LYS  73  10.413  -1.330  -9.315
  564    H    TYR  74           H        TYR  74  10.582  -5.320  -2.817
  565    HA   TYR  74           HA       TYR  74   8.310  -7.105  -3.152
  566    HB2  TYR  74           HB2      TYR  74   8.526  -8.342  -1.168
  567    HB3  TYR  74           HB3      TYR  74  10.072  -8.498  -1.951
  568    HD1  TYR  74           HD2      TYR  74  11.987  -6.843  -1.095
  569    HD2  TYR  74           HD1      TYR  74   8.313  -7.524   1.053
  570    HE1  TYR  74           HE2      TYR  74  13.031  -5.959   0.966
  571    HE2  TYR  74           HE1      TYR  74   9.344  -6.657   3.119
  572    HH   TYR  74           HH       TYR  74  11.277  -5.783   4.100
  573    H    GLN  75           H        GLN  75   6.638  -6.671  -1.507
  574    HA   GLN  75           HA       GLN  75   6.896  -4.168   0.045
  575    HB2  GLN  75           HB2      GLN  75   4.466  -4.857  -1.671
  576    HB3  GLN  75           HB3      GLN  75   4.703  -3.465  -0.630
  577    HG2  GLN  75           HG2      GLN  75   5.077  -2.548  -2.680
  578    HG3  GLN  75           HG3      GLN  75   6.721  -2.909  -2.121
  579   HE21  GLN  75          HE22      GLN  75   4.049  -4.631  -3.965
  580   HE22  GLN  75          HE21      GLN  75   5.140  -5.089  -5.270
  581    H    VAL  76           H        VAL  76   5.251  -4.072   1.771
  582    HA   VAL  76           HA       VAL  76   4.101  -6.728   2.488
  583    HB   VAL  76           HB       VAL  76   5.407  -5.774   4.277
  584   HG11  VAL  76          HG11      VAL  76   4.839  -3.719   5.454
  585   HG12  VAL  76          HG12      VAL  76   5.286  -3.362   3.781
  586   HG13  VAL  76          HG13      VAL  76   3.580  -3.340   4.262
  587   HG21  VAL  76          HG21      VAL  76   2.432  -5.563   4.895
  588   HG22  VAL  76          HG22      VAL  76   3.376  -7.058   4.801
  589   HG23  VAL  76          HG23      VAL  76   3.746  -5.865   6.052
  590    H    ASN  77           H        ASN  77   1.898  -6.945   2.220
  591    HA   ASN  77           HA       ASN  77   0.304  -4.601   1.386
  592    HB2  ASN  77           HB2      ASN  77   1.607  -5.344  -0.632
  593    HB3  ASN  77           HB3      ASN  77   0.799  -6.908  -0.541
  594   HD21  ASN  77          HD22      ASN  77   0.611  -5.262  -2.828
  595   HD22  ASN  77          HD21      ASN  77  -1.049  -4.701  -2.958
  596    H    ASN  78           H        ASN  78  -0.532  -5.348   3.481
  597    HA   ASN  78           HA       ASN  78  -2.043  -7.831   3.683
  598    HB2  ASN  78           HB2      ASN  78  -2.124  -5.264   5.327
  599    HB3  ASN  78           HB3      ASN  78  -3.053  -6.729   5.670
  600   HD21  ASN  78          HD21      ASN  78  -0.724  -5.281   7.150
  601   HD22  ASN  78          HD22      ASN  78   0.202  -6.696   7.626
  602    H    LYS  79           H        LYS  79  -3.350  -7.895   1.815
  603    HA   LYS  79           HA       LYS  79  -4.732  -5.577   0.860
  604    HB2  LYS  79           HB2      LYS  79  -5.131  -8.536   0.247
  605    HB3  LYS  79           HB3      LYS  79  -6.085  -7.245  -0.502
  606    HG2  LYS  79           HG2      LYS  79  -3.961  -6.145  -1.263
  607    HG3  LYS  79           HG3      LYS  79  -3.049  -7.507  -0.610
  608    HD2  LYS  79           HD2      LYS  79  -3.277  -7.694  -3.005
  609    HD3  LYS  79           HD3      LYS  79  -4.133  -9.030  -2.220
  610    HE2  LYS  79           HE2      LYS  79  -6.275  -8.016  -2.661
  611    HE3  LYS  79           HE3      LYS  79  -5.532  -6.473  -3.118
  612    HZ1  LYS  79           HZ1      LYS  79  -4.708  -7.443  -5.099
  613    HZ2  LYS  79           HZ2      LYS  79  -5.076  -8.970  -4.648
  614    HZ3  LYS  79           HZ3      LYS  79  -6.272  -7.896  -5.011
  615    H    HIS  80           H        HIS  80  -6.395  -4.536   1.717
  616    HA   HIS  80           HA       HIS  80  -8.055  -3.964   3.100
  617    HB2  HIS  80           HB2      HIS  80  -9.249  -6.422   1.831
  618    HB3  HIS  80           HB3      HIS  80 -10.134  -5.264   2.827
  619    HD2  HIS  80           HD2      HIS  80  -8.687  -5.719  -0.667
  620    HE1  HIS  80           HE1      HIS  80 -10.302  -1.776  -0.600
  621    HE2  HIS  80           HE2      HIS  80  -9.314  -3.594  -2.083
  622    H    ASP  81           H        ASP  81  -6.086  -4.830   4.547
  623    HA   ASP  81           HA       ASP  81  -6.519  -6.674   6.602
  624    HB2  ASP  81           HB2      ASP  81  -4.515  -5.224   6.273
  625    HB3  ASP  81           HB3      ASP  81  -5.443  -3.831   6.800
  626    H    ASP  82           H        ASP  82  -8.434  -3.896   5.879
  627    HA   ASP  82           HA       ASP  82  -9.478  -3.460   8.608
  628    HB2  ASP  82           HB2      ASP  82  -9.125  -1.530   7.128
  629    HB3  ASP  82           HB3      ASP  82 -10.184  -2.244   5.908
  630    H    LYS  83           H        LYS  83 -10.240  -5.215   5.660
  631    HA   LYS  83           HA       LYS  83 -13.030  -5.760   6.563
  632    HB2  LYS  83           HB2      LYS  83 -11.745  -6.498   3.907
  633    HB3  LYS  83           HB3      LYS  83 -13.455  -6.504   4.329
  634    HG2  LYS  83           HG2      LYS  83 -13.328  -3.990   4.604
  635    HG3  LYS  83           HG3      LYS  83 -11.667  -4.060   3.965
  636    HD2  LYS  83           HD2      LYS  83 -12.521  -5.130   1.885
  637    HD3  LYS  83           HD3      LYS  83 -14.181  -5.018   2.518
  638    HE2  LYS  83           HE2      LYS  83 -13.947  -2.559   2.690
  639    HE3  LYS  83           HE3      LYS  83 -12.294  -2.669   2.068
  640    HZ1  LYS  83           HZ1      LYS  83 -13.862  -2.078   0.327
  641    HZ2  LYS  83           HZ2      LYS  83 -13.202  -3.529  -0.011
  642    HZ3  LYS  83           HZ3      LYS  83 -14.732  -3.433   0.563
  643    H    TYR  84           H        TYR  84  -9.858  -7.204   6.288
  644    HA   TYR  84           HA       TYR  84 -11.008  -9.933   6.716
  645    HB2  TYR  84           HB2      TYR  84  -8.638  -9.057   5.020
  646    HB3  TYR  84           HB3      TYR  84  -9.135 -10.723   5.262
  647    HD1  TYR  84           HD1      TYR  84 -11.882 -10.975   4.920
  648    HD2  TYR  84           HD2      TYR  84  -9.182  -8.348   2.866
  649    HE1  TYR  84           HE1      TYR  84 -13.460 -10.886   3.001
  650    HE2  TYR  84           HE2      TYR  84 -10.735  -8.239   0.923
  651    HH   TYR  84           HH       TYR  84 -12.774  -8.955   0.042
  652    H    SER  85           H        SER  85  -8.919 -11.389   7.018
  653    HA   SER  85           HA       SER  85  -7.745 -12.380   8.660
  654    HB2  SER  85           HB2      SER  85  -6.329  -9.764   9.078
  655    HB3  SER  85           HB3      SER  85  -5.730 -11.423   9.272
  656    HG   SER  85           HG       SER  85  -6.202 -11.591   6.900
  657    HA   PRO  86           HA       PRO  86 -10.040 -10.834  12.338
  658    HB2  PRO  86           HB2      PRO  86 -11.814 -12.894  12.630
  659    HB3  PRO  86           HB3      PRO  86 -12.154 -11.495  11.555
  660    HG2  PRO  86           HG2      PRO  86 -11.056 -14.225  10.814
  661    HG3  PRO  86           HG3      PRO  86 -12.382 -13.316  10.021
  662    HD2  PRO  86           HD2      PRO  86  -9.800 -13.292   9.106
  663    HD3  PRO  86           HD3      PRO  86 -10.880 -11.868   8.957
  664    H    LEU  87           H        LEU  87  -8.224 -13.425  11.281
  665    HA   LEU  87           HA       LEU  87  -8.428 -15.273  13.420
  666    HB2  LEU  87           HB2      LEU  87  -6.156 -14.758  11.474
  667    HB3  LEU  87           HB3      LEU  87  -6.351 -16.224  12.446
  668    HG   LEU  87           HG       LEU  87  -8.145 -15.230  10.193
  669   HD11  LEU  87          HD11      LEU  87  -7.364 -17.287   9.048
  670   HD12  LEU  87          HD12      LEU  87  -5.980 -16.302   9.537
  671   HD13  LEU  87          HD13      LEU  87  -6.405 -17.745  10.472
  672   HD21  LEU  87          HD21      LEU  87  -9.382 -17.395  10.444
  673   HD22  LEU  87          HD22      LEU  87  -8.501 -17.703  11.957
  674   HD23  LEU  87          HD23      LEU  87  -9.612 -16.320  11.819
  675    HA   PRO  88           HA       PRO  88  -5.646 -13.399  16.494
  676    HB2  PRO  88           HB2      PRO  88  -4.908 -16.250  17.086
  677    HB3  PRO  88           HB3      PRO  88  -5.418 -14.965  18.217
  678    HG2  PRO  88           HG2      PRO  88  -7.118 -16.982  17.507
  679    HG3  PRO  88           HG3      PRO  88  -7.704 -15.300  17.711
  680    HD2  PRO  88           HD2      PRO  88  -7.047 -16.756  15.143
  681    HD3  PRO  88           HD3      PRO  88  -8.426 -15.679  15.526
  682    H    CYS  89           H        CYS  89  -3.389 -12.937  16.389
  683    HA   CYS  89           HA       CYS  89  -2.108 -13.369  13.954
  684    HB2  CYS  89           HB2      CYS  89  -0.027 -12.583  15.183
  685    HB3  CYS  89           HB3      CYS  89  -1.434 -11.517  15.261
  686    HG   CYS  89           HG       CYS  89  -0.177 -11.458  17.548
  687    H    SER  90           H        SER  90  -1.603 -15.183  17.021
  688    HA   SER  90           HA       SER  90   0.445 -16.825  16.250
  689    HB2  SER  90           HB2      SER  90  -1.921 -17.744  17.919
  690    HB3  SER  90           HB3      SER  90  -0.226 -18.249  18.056
  691    HG   SER  90           HG       SER  90  -0.795 -16.702  19.647
  692    H    LYS  91           H        LYS  91  -3.029 -17.388  15.580
  693    HA   LYS  91           HA       LYS  91  -2.716 -19.969  14.430
  694    HB2  LYS  91           HB2      LYS  91  -4.882 -17.879  13.915
  695    HB3  LYS  91           HB3      LYS  91  -4.977 -19.578  13.476
  696    HG2  LYS  91           HG2      LYS  91  -4.843 -18.483  16.317
  697    HG3  LYS  91           HG3      LYS  91  -6.276 -19.086  15.487
  698    HD2  LYS  91           HD2      LYS  91  -5.194 -21.345  15.316
  699    HD3  LYS  91           HD3      LYS  91  -3.823 -20.724  16.269
  700    HE2  LYS  91           HE2      LYS  91  -5.368 -20.155  18.125
  701    HE3  LYS  91           HE3      LYS  91  -6.734 -20.764  17.183
  702    HZ1  LYS  91           HZ1      LYS  91  -4.451 -22.404  18.124
  703    HZ2  LYS  91           HZ2      LYS  91  -5.950 -22.408  18.757
  704    HZ3  LYS  91           HZ3      LYS  91  -5.715 -22.967  17.247
  705    H    ILE  92           H        ILE  92  -2.417 -16.693  12.998
  706    HA   ILE  92           HA       ILE  92  -2.430 -17.589  10.276
  707    HB   ILE  92           HB       ILE  92  -0.973 -15.207  11.506
  708   HG12  ILE  92          HG12      ILE  92  -3.734 -15.264  10.198
  709   HG13  ILE  92          HG13      ILE  92  -3.479 -15.252  11.939
  710   HG21  ILE  92          HG21      ILE  92  -1.772 -15.792   8.628
  711   HG22  ILE  92          HG22      ILE  92  -1.045 -14.277   9.212
  712   HG23  ILE  92          HG23      ILE  92  -0.123 -15.768   9.271
  713   HD11  ILE  92          HD11      ILE  92  -2.220 -13.094  11.724
  714   HD12  ILE  92          HD12      ILE  92  -2.727 -13.027  10.029
  715   HD13  ILE  92          HD13      ILE  92  -3.946 -13.016  11.309
  716    H    ILE  93           H        ILE  93   0.237 -17.102  12.676
  717    HA   ILE  93           HA       ILE  93   2.312 -18.022  10.965
  718    HB   ILE  93           HB       ILE  93   2.279 -18.359  13.990
  719   HG12  ILE  93          HG12      ILE  93   1.586 -16.104  13.767
  720   HG13  ILE  93          HG13      ILE  93   3.265 -16.114  14.232
  721   HG21  ILE  93          HG21      ILE  93   4.144 -19.354  12.817
  722   HG22  ILE  93          HG22      ILE  93   4.501 -17.821  11.984
  723   HG23  ILE  93          HG23      ILE  93   4.701 -17.958  13.748
  724   HD11  ILE  93          HD11      ILE  93   3.953 -15.516  11.943
  725   HD12  ILE  93          HD12      ILE  93   2.261 -15.602  11.390
  726   HD13  ILE  93          HD13      ILE  93   2.746 -14.380  12.571
  727    H    GLN  94           H        GLN  94   0.350 -19.715  13.443
  728    HA   GLN  94           HA       GLN  94   1.485 -22.222  13.152
  729    HB2  GLN  94           HB2      GLN  94   0.106 -22.826  14.737
  730    HB3  GLN  94           HB3      GLN  94  -0.470 -21.185  14.744
  731    HG2  GLN  94           HG2      GLN  94  -2.379 -22.532  14.785
  732    HG3  GLN  94           HG3      GLN  94  -2.305 -21.868  13.172
  733   HE21  GLN  94          HE22      GLN  94  -3.140 -23.461  11.784
  734   HE22  GLN  94          HE21      GLN  94  -2.550 -25.110  11.708
  735    H    ARG  95           H        ARG  95  -1.227 -20.873  11.169
  736    HA   ARG  95           HA       ARG  95  -1.554 -23.223   9.526
  737    HB2  ARG  95           HB2      ARG  95  -2.118 -20.292   8.972
  738    HB3  ARG  95           HB3      ARG  95  -2.372 -21.606   7.813
  739    HG2  ARG  95           HG2      ARG  95  -3.739 -22.777   9.687
  740    HG3  ARG  95           HG3      ARG  95  -3.795 -21.175  10.456
  741    HD2  ARG  95           HD2      ARG  95  -4.787 -20.251   8.373
  742    HD3  ARG  95           HD3      ARG  95  -4.638 -21.867   7.631
  743    HE   ARG  95           HE       ARG  95  -6.138 -22.009  10.072
  744   HH11  ARG  95          HH11      ARG  95  -6.550 -20.855   6.723
  745   HH12  ARG  95          HH12      ARG  95  -8.213 -21.265   6.634
  746   HH21  ARG  95          HH21      ARG  95  -8.383 -22.510   9.970
  747   HH22  ARG  95          HH22      ARG  95  -9.280 -22.214   8.532
  748    H    ALA  96           H        ALA  96   0.444 -20.242   9.056
  749    HA   ALA  96           HA       ALA  96   1.525 -20.955   6.608
  750    HB1  ALA  96           HB1      ALA  96   2.975 -19.449   8.831
  751    HB2  ALA  96           HB2      ALA  96   3.274 -19.328   7.090
  752    HB3  ALA  96           HB3      ALA  96   1.755 -18.723   7.766
  753    H    GLU  97           H        GLU  97   2.878 -21.722   9.817
  754    HA   GLU  97           HA       GLU  97   5.088 -23.129   8.598
  755    HB2  GLU  97           HB2      GLU  97   4.271 -22.861  11.510
  756    HB3  GLU  97           HB3      GLU  97   5.787 -23.566  10.915
  757    HG2  GLU  97           HG2      GLU  97   6.151 -21.349   9.650
  758    HG3  GLU  97           HG3      GLU  97   4.867 -20.676  10.648
  759    H    GLU  98           H        GLU  98   1.843 -24.244   9.410
  760    HA   GLU  98           HA       GLU  98   2.618 -26.978   9.918
  761    HB2  GLU  98           HB2      GLU  98   0.687 -26.169  11.008
  762    HB3  GLU  98           HB3      GLU  98   0.090 -25.337   9.559
  763    HG2  GLU  98           HG2      GLU  98  -0.563 -27.287   8.517
  764    HG3  GLU  98           HG3      GLU  98   0.306 -28.322   9.672
  765    H    LEU  99           H        LEU  99   1.835 -24.825   7.260
  766    HA   LEU  99           HA       LEU  99   1.321 -26.983   5.361
  767    HB2  LEU  99           HB2      LEU  99   1.410 -23.962   5.100
  768    HB3  LEU  99           HB3      LEU  99   0.909 -25.059   3.810
  769    HG   LEU  99           HG       LEU  99  -0.461 -25.015   6.546
  770   HD11  LEU  99          HD11      LEU  99  -1.328 -23.573   4.011
  771   HD12  LEU  99          HD12      LEU  99  -2.207 -23.631   5.556
  772   HD13  LEU  99          HD13      LEU  99  -0.650 -22.797   5.466
  773   HD21  LEU  99          HD21      LEU  99  -0.891 -27.061   5.265
  774   HD22  LEU  99          HD22      LEU  99  -2.339 -26.063   5.301
  775   HD23  LEU  99          HD23      LEU  99  -1.337 -26.113   3.833
  776    H    VAL 100           H        VAL 100   4.192 -25.426   6.441
  777    HA   VAL 100           HA       VAL 100   5.721 -25.380   4.051
  778    HB   VAL 100           HB       VAL 100   6.530 -25.936   6.939
  779   HG11  VAL 100          HG11      VAL 100   8.306 -25.247   4.548
  780   HG12  VAL 100          HG12      VAL 100   8.825 -25.262   6.246
  781   HG13  VAL 100          HG13      VAL 100   8.327 -26.765   5.471
  782   HG21  VAL 100          HG21      VAL 100   6.707 -23.413   5.232
  783   HG22  VAL 100          HG22      VAL 100   5.513 -23.696   6.501
  784   HG23  VAL 100          HG23      VAL 100   7.216 -23.577   6.936
  785    H    GLY 101           H        GLY 101   6.457 -26.947   2.752
  786    HA2  GLY 101           HA2      GLY 101   7.328 -28.963   2.105
  787    HA3  GLY 101           HA3      GLY 101   7.002 -29.658   3.701
  788    H    GLN 102           H        GLN 102   4.129 -28.120   2.663
  789    HA   GLN 102           HA       GLN 102   3.020 -30.723   1.775
  790    HB2  GLN 102           HB2      GLN 102   1.622 -28.125   2.566
  791    HB3  GLN 102           HB3      GLN 102   0.823 -29.557   1.919
  792    HG2  GLN 102           HG2      GLN 102   1.858 -30.930   3.726
  793    HG3  GLN 102           HG3      GLN 102   2.459 -29.439   4.477
  794   HE21  GLN 102          HE22      GLN 102   1.187 -29.118   6.354
  795   HE22  GLN 102          HE21      GLN 102  -0.545 -29.324   6.381
  796    H    GLU 103           H        GLU 103   1.420 -30.542  -0.000
  797    HA   GLU 103           HA       GLU 103   2.730 -29.140  -2.295
  798    HB2  GLU 103           HB2      GLU 103   1.364 -31.837  -2.444
  799    HB3  GLU 103           HB3      GLU 103   2.436 -31.066  -3.619
  800    HG2  GLU 103           HG2      GLU 103   4.352 -31.403  -2.032
  801    HG3  GLU 103           HG3      GLU 103   3.260 -32.205  -0.909
  802    H    VAL 104           H        VAL 104   1.317 -28.388  -3.977
  803    HA   VAL 104           HA       VAL 104  -1.587 -28.591  -3.482
  804    HB   VAL 104           HB       VAL 104  -1.712 -26.263  -4.263
  805   HG11  VAL 104          HG11      VAL 104  -1.192 -25.201  -2.103
  806   HG12  VAL 104          HG12      VAL 104  -1.915 -26.799  -1.854
  807   HG13  VAL 104          HG13      VAL 104  -0.164 -26.573  -1.655
  808   HG21  VAL 104          HG21      VAL 104   0.134 -24.721  -4.170
  809   HG22  VAL 104          HG22      VAL 104   1.254 -26.004  -3.674
  810   HG23  VAL 104          HG23      VAL 104   0.510 -26.026  -5.295
  811    H    LEU 105           H        LEU 105  -2.832 -28.575  -5.381
  812    HA   LEU 105           HA       LEU 105  -1.281 -29.696  -7.644
  813    HB2  LEU 105           HB2      LEU 105  -4.173 -30.001  -6.825
  814    HB3  LEU 105           HB3      LEU 105  -3.402 -30.847  -8.174
  815    HG   LEU 105           HG       LEU 105  -2.728 -31.235  -5.222
  816   HD11  LEU 105          HD11      LEU 105  -4.117 -33.080  -7.212
  817   HD12  LEU 105          HD12      LEU 105  -3.715 -33.464  -5.523
  818   HD13  LEU 105          HD13      LEU 105  -4.898 -32.199  -5.881
  819   HD21  LEU 105          HD21      LEU 105  -1.615 -32.635  -7.691
  820   HD22  LEU 105          HD22      LEU 105  -0.709 -31.583  -6.575
  821   HD23  LEU 105          HD23      LEU 105  -1.328 -33.135  -6.011
  822    H    TYR 106           H        TYR 106  -1.395 -27.046  -7.433
  823    HA   TYR 106           HA       TYR 106  -2.443 -26.362 -10.083
  824    HB2  TYR 106           HB2      TYR 106  -3.129 -24.095  -9.269
  825    HB3  TYR 106           HB3      TYR 106  -4.186 -25.404  -8.813
  826    HD1  TYR 106           HD2      TYR 106  -1.334 -23.305  -7.407
  827    HD2  TYR 106           HD1      TYR 106  -4.868 -25.670  -6.597
  828    HE1  TYR 106           HE2      TYR 106  -1.270 -22.608  -5.035
  829    HE2  TYR 106           HE1      TYR 106  -4.801 -24.970  -4.231
  830    HH   TYR 106           HH       TYR 106  -3.703 -23.701  -2.627
  831    H    LYS 107           H        LYS 107  -1.041 -24.915 -11.192
  832    HA   LYS 107           HA       LYS 107   1.588 -24.682 -10.459
  833    HB2  LYS 107           HB2      LYS 107   0.130 -24.284 -12.687
  834    HB3  LYS 107           HB3      LYS 107   0.115 -22.615 -12.123
  835    HG2  LYS 107           HG2      LYS 107   2.658 -22.799 -12.004
  836    HG3  LYS 107           HG3      LYS 107   2.471 -24.412 -12.732
  837    HD2  LYS 107           HD2      LYS 107   1.463 -23.401 -14.745
  838    HD3  LYS 107           HD3      LYS 107   1.520 -21.792 -13.991
  839    HE2  LYS 107           HE2      LYS 107   4.015 -21.967 -13.865
  840    HE3  LYS 107           HE3      LYS 107   3.934 -23.528 -14.691
  841    HZ1  LYS 107           HZ1      LYS 107   2.944 -22.357 -16.604
  842    HZ2  LYS 107           HZ2      LYS 107   3.060 -20.926 -15.827
  843    HZ3  LYS 107           HZ3      LYS 107   4.408 -21.735 -16.241
  844    H    LEU 108           H        LEU 108   2.775 -22.924  -9.603
  845    HA   LEU 108           HA       LEU 108   1.515 -21.071  -7.778
  846    HB2  LEU 108           HB2      LEU 108   3.913 -20.244  -7.527
  847    HB3  LEU 108           HB3      LEU 108   3.514 -21.867  -7.025
  848    HG   LEU 108           HG       LEU 108   4.670 -22.903  -8.767
  849   HD11  LEU 108          HD11      LEU 108   5.205 -20.246 -10.138
  850   HD12  LEU 108          HD12      LEU 108   5.824 -21.834 -10.620
  851   HD13  LEU 108          HD13      LEU 108   4.093 -21.501 -10.727
  852   HD21  LEU 108          HD21      LEU 108   6.006 -21.937  -6.912
  853   HD22  LEU 108          HD22      LEU 108   6.941 -22.116  -8.413
  854   HD23  LEU 108          HD23      LEU 108   6.350 -20.516  -7.914
  855    H    THR 109           H        THR 109   0.136 -20.298  -9.906
  856    HA   THR 109           HA       THR 109   1.407 -18.140 -11.398
  857    HB   THR 109           HB       THR 109  -0.949 -17.506 -11.903
  858    HG1  THR 109           HG1      THR 109  -2.581 -18.915 -11.151
  859   HG21  THR 109          HG21      THR 109   0.237 -19.241 -13.282
  860   HG22  THR 109          HG22      THR 109  -0.511 -20.496 -12.268
  861   HG23  THR 109          HG23      THR 109  -1.524 -19.430 -13.257
  862    H    SER 110           H        SER 110   0.849 -15.824 -11.012
  863    HA   SER 110           HA       SER 110   1.269 -14.841  -8.478
  864    HB2  SER 110           HB2      SER 110  -0.530 -13.399 -10.427
  865    HB3  SER 110           HB3      SER 110   0.810 -12.764  -9.463
  866    HG   SER 110           HG       SER 110   1.236 -12.970 -11.750
  867    H    GLU 111           H        GLU 111  -1.853 -15.564 -10.091
  868    HA   GLU 111           HA       GLU 111  -3.528 -14.612  -7.954
  869    HB2  GLU 111           HB2      GLU 111  -4.061 -16.520 -10.276
  870    HB3  GLU 111           HB3      GLU 111  -5.301 -15.874  -9.192
  871    HG2  GLU 111           HG2      GLU 111  -4.693 -13.559  -9.877
  872    HG3  GLU 111           HG3      GLU 111  -3.497 -14.207 -11.001
  873    H    ASN 112           H        ASN 112  -2.225 -17.914  -8.776
  874    HA   ASN 112           HA       ASN 112  -3.831 -19.133  -6.707
  875    HB2  ASN 112           HB2      ASN 112  -1.417 -20.070  -8.274
  876    HB3  ASN 112           HB3      ASN 112  -2.116 -21.018  -6.975
  877   HD21  ASN 112          HD22      ASN 112  -2.005 -21.697  -9.836
  878   HD22  ASN 112          HD21      ASN 112  -3.667 -21.911 -10.365
  879    H    CYS 113           H        CYS 113  -0.623 -17.566  -6.707
  880    HA   CYS 113           HA       CYS 113   0.026 -18.492  -4.039
  881    HB2  CYS 113           HB2      CYS 113   1.016 -16.002  -5.495
  882    HB3  CYS 113           HB3      CYS 113   1.709 -16.733  -4.032
  883    HG   CYS 113           HG       CYS 113   1.421 -17.993  -7.072
  884    H    GLU 114           H        GLU 114  -1.622 -15.549  -5.346
  885    HA   GLU 114           HA       GLU 114  -2.014 -14.236  -2.867
  886    HB2  GLU 114           HB2      GLU 114  -2.393 -13.254  -5.147
  887    HB3  GLU 114           HB3      GLU 114  -3.836 -14.249  -5.307
  888    HG2  GLU 114           HG2      GLU 114  -4.774 -13.132  -3.244
  889    HG3  GLU 114           HG3      GLU 114  -3.346 -12.099  -3.204
  890    H    HIS 115           H        HIS 115  -3.981 -16.623  -4.621
  891    HA   HIS 115           HA       HIS 115  -6.201 -16.875  -2.922
  892    HB2  HIS 115           HB2      HIS 115  -6.072 -17.742  -5.191
  893    HB3  HIS 115           HB3      HIS 115  -4.749 -18.804  -4.765
  894    HD2  HIS 115           HD2      HIS 115  -8.219 -19.068  -5.543
  895    HE1  HIS 115           HE1      HIS 115  -7.584 -22.330  -2.877
  896    HE2  HIS 115           HE2      HIS 115  -9.176 -21.327  -4.594
  897    H    PHE 116           H        PHE 116  -3.238 -18.991  -3.018
  898    HA   PHE 116           HA       PHE 116  -3.830 -20.493  -0.758
  899    HB2  PHE 116           HB2      PHE 116  -1.954 -21.143  -2.130
  900    HB3  PHE 116           HB3      PHE 116  -1.245 -19.541  -2.028
  901    HD1  PHE 116           HD1      PHE 116  -1.752 -22.719  -0.148
  902    HD2  PHE 116           HD2      PHE 116   0.202 -18.872  -0.196
  903    HE1  PHE 116           HE1      PHE 116  -0.363 -23.380   1.798
  904    HE2  PHE 116           HE2      PHE 116   1.486 -19.484   1.833
  905    HZ   PHE 116           HZ       PHE 116   1.258 -21.778   2.786
  906    H    VAL 117           H        VAL 117  -1.795 -17.536  -0.866
  907    HA   VAL 117           HA       VAL 117  -1.330 -17.660   1.881
  908    HB   VAL 117           HB       VAL 117  -0.051 -16.440   0.020
  909   HG11  VAL 117          HG11      VAL 117  -1.730 -14.866  -0.775
  910   HG12  VAL 117          HG12      VAL 117  -1.906 -14.152   0.836
  911   HG13  VAL 117          HG13      VAL 117  -0.392 -13.970  -0.049
  912   HG21  VAL 117          HG21      VAL 117   0.721 -16.598   2.245
  913   HG22  VAL 117          HG22      VAL 117   0.986 -14.953   1.643
  914   HG23  VAL 117          HG23      VAL 117  -0.353 -15.284   2.769
  915    H    ASN 118           H        ASN 118  -4.121 -16.269   0.239
  916    HA   ASN 118           HA       ASN 118  -5.027 -14.822   2.596
  917    HB2  ASN 118           HB2      ASN 118  -6.250 -15.479  -0.072
  918    HB3  ASN 118           HB3      ASN 118  -7.300 -15.035   1.279
  919   HD21  ASN 118          HD22      ASN 118  -4.491 -13.898  -0.641
  920   HD22  ASN 118          HD21      ASN 118  -4.624 -12.214  -0.148
  921    H    GLU 119           H        GLU 119  -5.310 -18.188   1.466
  922    HA   GLU 119           HA       GLU 119  -7.227 -18.948   3.457
  923    HB2  GLU 119           HB2      GLU 119  -4.956 -20.701   2.450
  924    HB3  GLU 119           HB3      GLU 119  -6.401 -21.213   3.295
  925    HG2  GLU 119           HG2      GLU 119  -7.801 -20.415   1.412
  926    HG3  GLU 119           HG3      GLU 119  -6.340 -20.009   0.506
  927    H    LEU 120           H        LEU 120  -3.846 -18.003   3.812
  928    HA   LEU 120           HA       LEU 120  -3.676 -19.267   6.447
  929    HB2  LEU 120           HB2      LEU 120  -1.720 -17.637   4.807
  930    HB3  LEU 120           HB3      LEU 120  -1.442 -18.034   6.500
  931    HG   LEU 120           HG       LEU 120  -1.391 -20.378   6.093
  932   HD11  LEU 120          HD11      LEU 120  -2.078 -19.750   3.207
  933   HD12  LEU 120          HD12      LEU 120  -1.440 -21.298   3.740
  934   HD13  LEU 120          HD13      LEU 120  -3.010 -20.773   4.335
  935   HD21  LEU 120          HD21      LEU 120   0.644 -19.046   5.690
  936   HD22  LEU 120          HD22      LEU 120   0.606 -20.484   4.657
  937   HD23  LEU 120          HD23      LEU 120   0.216 -18.895   3.971
  938    H    ARG 121           H        ARG 121  -3.691 -15.905   5.080
  939    HA   ARG 121           HA       ARG 121  -3.672 -14.873   7.809
  940    HB2  ARG 121           HB2      ARG 121  -2.520 -13.881   5.655
  941    HB3  ARG 121           HB3      ARG 121  -4.095 -13.108   5.388
  942    HG2  ARG 121           HG2      ARG 121  -3.915 -12.275   7.836
  943    HG3  ARG 121           HG3      ARG 121  -2.275 -12.919   7.817
  944    HD2  ARG 121           HD2      ARG 121  -1.755 -11.448   5.877
  945    HD3  ARG 121           HD3      ARG 121  -3.357 -10.710   6.027
  946    HE   ARG 121           HE       ARG 121  -1.055 -10.574   7.906
  947   HH11  ARG 121          HH12      ARG 121  -4.449  -9.580   7.426
  948   HH12  ARG 121          HH11      ARG 121  -4.228  -8.032   8.212
  949   HH21  ARG 121          HH21      ARG 121  -0.815  -8.422   8.935
  950   HH22  ARG 121          HH22      ARG 121  -2.271  -7.550   9.268
  951    H    TYR 122           H        TYR 122  -6.088 -14.898   5.157
  952    HA   TYR 122           HA       TYR 122  -8.066 -13.627   6.957
  953    HB2  TYR 122           HB2      TYR 122  -8.108 -12.928   4.646
  954    HB3  TYR 122           HB3      TYR 122  -8.206 -14.584   4.086
  955    HD1  TYR 122           HD2      TYR 122 -10.373 -13.396   6.920
  956    HD2  TYR 122           HD1      TYR 122 -10.095 -14.179   2.685
  957    HE1  TYR 122           HE2      TYR 122 -12.820 -13.306   6.755
  958    HE2  TYR 122           HE1      TYR 122 -12.556 -14.086   2.508
  959    HH   TYR 122           HH       TYR 122 -14.677 -13.478   5.352
  960    H    GLY 123           H        GLY 123  -7.574 -16.783   5.312
  961    HA2  GLY 123           HA2      GLY 123  -7.916 -18.685   6.990
  962    HA3  GLY 123           HA3      GLY 123  -9.545 -18.025   7.194
  963    H    VAL 124           H        VAL 124  -9.569 -17.219   4.247
  964    HA   VAL 124           HA       VAL 124  -9.528 -19.757   2.795
  965    HB   VAL 124           HB       VAL 124 -12.014 -17.984   2.788
  966   HG11  VAL 124          HG11      VAL 124 -13.051 -19.925   1.628
  967   HG12  VAL 124          HG12      VAL 124 -11.680 -19.294   0.724
  968   HG13  VAL 124          HG13      VAL 124 -11.498 -20.785   1.677
  969   HG21  VAL 124          HG21      VAL 124 -12.016 -19.040   4.992
  970   HG22  VAL 124          HG22      VAL 124 -13.225 -19.806   3.970
  971   HG23  VAL 124          HG23      VAL 124 -11.678 -20.630   4.262
  972    H    ALA 125           H        ALA 125  -9.158 -19.271   0.515
  973    HA   ALA 125           HA       ALA 125  -7.955 -16.919  -0.311
  974    HB1  ALA 125           HB1      ALA 125  -7.932 -19.015  -1.579
  975    HB2  ALA 125           HB2      ALA 125  -9.668 -18.838  -1.941
  976    HB3  ALA 125           HB3      ALA 125  -8.505 -17.669  -2.588
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1  21.136   1.782   7.088
    2    H2   MET   1           H2       MET   1  21.480   1.038   5.662
    3    H3   MET   1           H3       MET   1  19.975   0.941   6.304
    4    HA   MET   1           HA       MET   1  21.118  -1.106   6.623
    5    HB2  MET   1           HB2      MET   1  23.087  -1.308   7.969
    6    HB3  MET   1           HB3      MET   1  23.419  -0.220   6.636
    7    HG2  MET   1           HG2      MET   1  22.861   0.638   9.510
    8    HG3  MET   1           HG3      MET   1  24.448   0.442   8.790
    9    HE1  MET   1           HE1      MET   1  25.145   2.806   9.683
   10    HE2  MET   1           HE2      MET   1  24.226   4.295   9.366
   11    HE3  MET   1           HE3      MET   1  23.524   3.019  10.386
   12    H    ARG   2           H        ARG   2  20.662  -2.428   8.453
   13    HA   ARG   2           HA       ARG   2  19.111  -3.055   9.955
   14    HB2  ARG   2           HB2      ARG   2  19.678  -2.500  12.238
   15    HB3  ARG   2           HB3      ARG   2  21.087  -2.898  11.269
   16    HG2  ARG   2           HG2      ARG   2  21.760  -0.566  11.134
   17    HG3  ARG   2           HG3      ARG   2  20.289  -0.030  11.950
   18    HD2  ARG   2           HD2      ARG   2  22.438  -1.824  13.159
   19    HD3  ARG   2           HD3      ARG   2  22.308  -0.091  13.433
   20    HE   ARG   2           HE       ARG   2  20.718  -2.221  14.618
   21   HH11  ARG   2          HH21      ARG   2  20.795   1.272  13.973
   22   HH12  ARG   2          HH22      ARG   2  19.641   1.666  15.191
   23   HH21  ARG   2          HH11      ARG   2  19.175  -1.698  16.233
   24   HH22  ARG   2          HH12      ARG   2  18.707  -0.063  16.507
   25    H    ALA   3           H        ALA   3  17.725  -1.479   8.341
   26    HA   ALA   3           HA       ALA   3  16.367   0.708   9.536
   27    HB1  ALA   3           HB1      ALA   3  16.332   0.267   7.108
   28    HB2  ALA   3           HB2      ALA   3  15.432  -1.247   7.382
   29    HB3  ALA   3           HB3      ALA   3  14.680   0.314   7.751
   30    HA   PRO   4           HA       PRO   4  13.625  -1.508  12.326
   31    HB2  PRO   4           HB2      PRO   4  11.601   0.300  12.684
   32    HB3  PRO   4           HB3      PRO   4  13.256   0.568  13.303
   33    HG2  PRO   4           HG2      PRO   4  12.037   1.625  10.732
   34    HG3  PRO   4           HG3      PRO   4  12.935   2.534  11.987
   35    HD2  PRO   4           HD2      PRO   4  14.140   1.597   9.717
   36    HD3  PRO   4           HD3      PRO   4  15.003   1.652  11.284
   37    H    ILE   5           H        ILE   5  11.189  -2.066  12.488
   38    HA   ILE   5           HA       ILE   5   9.873  -2.373   9.842
   39    HB   ILE   5           HB       ILE   5   8.872  -4.495  10.738
   40   HG12  ILE   5          HG12      ILE   5  11.317  -4.573  12.571
   41   HG13  ILE   5          HG13      ILE   5   9.687  -4.238  13.144
   42   HG21  ILE   5          HG21      ILE   5  11.856  -4.513  10.123
   43   HG22  ILE   5          HG22      ILE   5  10.700  -5.828   9.824
   44   HG23  ILE   5          HG23      ILE   5  10.563  -4.324   8.922
   45   HD11  ILE   5          HD11      ILE   5  10.152  -6.552  13.543
   46   HD12  ILE   5          HD12      ILE   5   8.942  -6.462  12.249
   47   HD13  ILE   5          HD13      ILE   5  10.644  -6.823  11.866
   48    HA   PRO   6           HA       PRO   6   7.640   0.166  12.953
   49    HB2  PRO   6           HB2      PRO   6   6.818   2.226  11.354
   50    HB3  PRO   6           HB3      PRO   6   8.491   2.091  11.990
   51    HG2  PRO   6           HG2      PRO   6   7.466   1.236   9.263
   52    HG3  PRO   6           HG3      PRO   6   8.904   2.240   9.642
   53    HD2  PRO   6           HD2      PRO   6   9.116  -0.429   9.188
   54    HD3  PRO   6           HD3      PRO   6  10.112   0.382  10.432
   55    H    GLU   7           H        GLU   7   6.578  -1.196   9.908
   56    HA   GLU   7           HA       GLU   7   3.804  -1.372  10.914
   57    HB2  GLU   7           HB2      GLU   7   4.611  -0.632   8.082
   58    HB3  GLU   7           HB3      GLU   7   2.979  -1.063   8.599
   59    HG2  GLU   7           HG2      GLU   7   3.004   0.849  10.207
   60    HG3  GLU   7           HG3      GLU   7   4.596   1.320   9.602
   61    HA   PRO   8           HA       PRO   8   4.755  -5.309   8.229
   62    HB2  PRO   8           HB2      PRO   8   7.717  -5.469   8.768
   63    HB3  PRO   8           HB3      PRO   8   6.801  -6.032   7.342
   64    HG2  PRO   8           HG2      PRO   8   8.269  -3.739   7.252
   65    HG3  PRO   8           HG3      PRO   8   6.662  -3.820   6.463
   66    HD2  PRO   8           HD2      PRO   8   7.372  -2.640   9.152
   67    HD3  PRO   8           HD3      PRO   8   6.301  -1.980   7.884
   68    H    LYS   9           H        LYS   9   4.307  -7.145   9.452
   69    HA   LYS   9           HA       LYS   9   5.775  -7.661  11.942
   70    HB2  LYS   9           HB2      LYS   9   2.731  -7.427  11.793
   71    HB3  LYS   9           HB3      LYS   9   3.605  -8.227  13.101
   72    HG2  LYS   9           HG2      LYS   9   4.785  -6.089  13.618
   73    HG3  LYS   9           HG3      LYS   9   3.817  -5.278  12.370
   74    HD2  LYS   9           HD2      LYS   9   1.739  -5.882  13.577
   75    HD3  LYS   9           HD3      LYS   9   2.709  -6.677  14.840
   76    HE2  LYS   9           HE2      LYS   9   3.854  -4.519  15.310
   77    HE3  LYS   9           HE3      LYS   9   2.888  -3.731  14.055
   78    HZ1  LYS   9           HZ1      LYS   9   1.798  -4.957  16.523
   79    HZ2  LYS   9           HZ2      LYS   9   1.960  -3.362  16.249
   80    HZ3  LYS   9           HZ3      LYS   9   0.904  -4.228  15.363
   81    HA   PRO  10           HA       PRO  10   5.432 -11.825  10.238
   82    HB2  PRO  10           HB2      PRO  10   5.042 -12.539  13.152
   83    HB3  PRO  10           HB3      PRO  10   6.045 -13.367  11.914
   84    HG2  PRO  10           HG2      PRO  10   7.229 -11.708  13.688
   85    HG3  PRO  10           HG3      PRO  10   7.657 -11.564  11.954
   86    HD2  PRO  10           HD2      PRO  10   5.719  -9.858  13.527
   87    HD3  PRO  10           HD3      PRO  10   7.003  -9.367  12.375
   88    H    GLY  11           H        GLY  11   3.710 -13.117   9.561
   89    HA2  GLY  11           HA2      GLY  11   1.559 -13.980   9.541
   90    HA3  GLY  11           HA3      GLY  11   1.034 -12.820  10.770
   91    H    ASP  12           H        ASP  12   2.712 -10.768   8.753
   92    HA   ASP  12           HA       ASP  12   0.223 -10.046   7.382
   93    HB2  ASP  12           HB2      ASP  12   2.075  -8.481   8.475
   94    HB3  ASP  12           HB3      ASP  12   2.759  -8.550   6.842
   95    H    LEU  13           H        LEU  13   0.249  -9.507   5.058
   96    HA   LEU  13           HA       LEU  13   1.289 -11.793   3.484
   97    HB2  LEU  13           HB2      LEU  13  -0.379  -9.361   2.662
   98    HB3  LEU  13           HB3      LEU  13   0.135 -10.680   1.617
   99    HG   LEU  13           HG       LEU  13  -1.943 -10.811   3.821
  100   HD11  LEU  13          HD11      LEU  13  -3.429 -11.411   2.045
  101   HD12  LEU  13          HD12      LEU  13  -2.594  -9.915   1.592
  102   HD13  LEU  13          HD13      LEU  13  -2.095 -11.458   0.866
  103   HD21  LEU  13          HD21      LEU  13  -0.533 -13.029   2.301
  104   HD22  LEU  13          HD22      LEU  13  -0.741 -12.883   4.054
  105   HD23  LEU  13          HD23      LEU  13  -2.138 -13.253   3.026
  106    H    ILE  14           H        ILE  14   2.920 -11.615   2.014
  107    HA   ILE  14           HA       ILE  14   4.207  -8.956   1.588
  108    HB   ILE  14           HB       ILE  14   5.420 -11.751   1.591
  109   HG12  ILE  14          HG12      ILE  14   5.035 -11.032   3.875
  110   HG13  ILE  14          HG13      ILE  14   6.748 -11.104   3.509
  111   HG21  ILE  14          HG21      ILE  14   7.622 -10.551   1.299
  112   HG22  ILE  14          HG22      ILE  14   6.560 -10.489  -0.106
  113   HG23  ILE  14          HG23      ILE  14   6.704  -9.069   0.942
  114   HD11  ILE  14          HD11      ILE  14   5.082  -8.554   3.650
  115   HD12  ILE  14          HD12      ILE  14   6.222  -9.135   4.873
  116   HD13  ILE  14          HD13      ILE  14   6.823  -8.624   3.287
  117    H    GLU  15           H        GLU  15   4.553  -8.428  -0.520
  118    HA   GLU  15           HA       GLU  15   4.004 -10.464  -2.593
  119    HB2  GLU  15           HB2      GLU  15   3.105  -8.859  -4.081
  120    HB3  GLU  15           HB3      GLU  15   2.150  -8.800  -2.597
  121    HG2  GLU  15           HG2      GLU  15   3.299  -6.724  -1.908
  122    HG3  GLU  15           HG3      GLU  15   4.407  -6.860  -3.272
  123    H    ILE  16           H        ILE  16   5.423 -10.240  -4.344
  124    HA   ILE  16           HA       ILE  16   8.012  -8.876  -3.769
  125    HB   ILE  16           HB       ILE  16   7.553 -11.548  -5.138
  126   HG12  ILE  16          HG12      ILE  16   6.925 -11.819  -2.750
  127   HG13  ILE  16          HG13      ILE  16   8.281 -12.784  -3.286
  128   HG21  ILE  16          HG21      ILE  16  10.074 -10.127  -4.220
  129   HG22  ILE  16          HG22      ILE  16  10.023 -11.801  -4.816
  130   HG23  ILE  16          HG23      ILE  16   9.574 -10.464  -5.882
  131   HD11  ILE  16          HD11      ILE  16   8.475 -10.237  -1.647
  132   HD12  ILE  16          HD12      ILE  16   8.630 -11.887  -1.030
  133   HD13  ILE  16          HD13      ILE  16   9.853 -11.250  -2.139
  134    H    PHE  17           H        PHE  17   8.141  -7.281  -5.300
  135    HA   PHE  17           HA       PHE  17   6.574  -7.445  -7.787
  136    HB2  PHE  17           HB2      PHE  17   7.911  -5.322  -6.324
  137    HB3  PHE  17           HB3      PHE  17   8.463  -5.344  -7.995
  138    HD1  PHE  17           HD1      PHE  17   6.917  -5.019  -9.878
  139    HD2  PHE  17           HD2      PHE  17   5.553  -4.807  -5.784
  140    HE1  PHE  17           HE1      PHE  17   4.828  -3.909 -10.631
  141    HE2  PHE  17           HE2      PHE  17   3.470  -3.690  -6.550
  142    HZ   PHE  17           HZ       PHE  17   3.103  -3.238  -8.966
  143    H    ARG  18           H        ARG  18   7.221  -8.950  -9.195
  144    HA   ARG  18           HA       ARG  18  10.032  -9.787  -9.369
  145    HB2  ARG  18           HB2      ARG  18   7.380 -10.741 -10.521
  146    HB3  ARG  18           HB3      ARG  18   8.894 -11.460 -11.007
  147    HG2  ARG  18           HG2      ARG  18   8.368 -11.234  -8.035
  148    HG3  ARG  18           HG3      ARG  18   7.430 -12.416  -8.944
  149    HD2  ARG  18           HD2      ARG  18   9.272 -13.653  -9.571
  150    HD3  ARG  18           HD3      ARG  18  10.389 -12.304  -9.405
  151    HE   ARG  18           HE       ARG  18  10.505 -12.538  -7.102
  152   HH11  ARG  18          HH21      ARG  18   8.718 -15.206  -8.614
  153   HH12  ARG  18          HH22      ARG  18   8.825 -16.258  -7.253
  154   HH21  ARG  18          HH11      ARG  18  10.746 -14.008  -5.275
  155   HH22  ARG  18          HH12      ARG  18  10.027 -15.570  -5.359
  156    HA   PRO  19           HA       PRO  19  11.418  -7.480 -12.659
  157    HB2  PRO  19           HB2      PRO  19  11.491  -9.867 -14.520
  158    HB3  PRO  19           HB3      PRO  19  12.739  -8.603 -14.271
  159    HG2  PRO  19           HG2      PRO  19  12.976 -10.978 -13.010
  160    HG3  PRO  19           HG3      PRO  19  13.268  -9.463 -12.094
  161    HD2  PRO  19           HD2      PRO  19  10.808 -11.209 -12.117
  162    HD3  PRO  19           HD3      PRO  19  11.615 -10.407 -10.736
  163    H    PHE  20           H        PHE  20   8.701  -9.461 -13.821
  164    HA   PHE  20           HA       PHE  20   7.602  -7.072 -15.157
  165    HB2  PHE  20           HB2      PHE  20   7.116  -8.267 -17.232
  166    HB3  PHE  20           HB3      PHE  20   8.835  -8.182 -16.937
  167    HD1  PHE  20           HD2      PHE  20  10.154 -10.206 -16.413
  168    HD2  PHE  20           HD1      PHE  20   5.920 -10.438 -17.210
  169    HE1  PHE  20           HE2      PHE  20  10.337 -12.665 -16.680
  170    HE2  PHE  20           HE1      PHE  20   6.109 -12.895 -17.481
  171    HZ   PHE  20           HZ       PHE  20   8.315 -14.016 -17.210
  172    H    TYR  21           H        TYR  21   6.991  -8.869 -12.711
  173    HA   TYR  21           HA       TYR  21   4.153  -9.195 -13.074
  174    HB2  TYR  21           HB2      TYR  21   4.021 -11.592 -12.780
  175    HB3  TYR  21           HB3      TYR  21   4.875 -11.213 -14.244
  176    HD1  TYR  21           HD1      TYR  21   7.388 -11.555 -14.386
  177    HD2  TYR  21           HD2      TYR  21   5.061 -12.903 -11.032
  178    HE1  TYR  21           HE1      TYR  21   9.152 -13.193 -13.831
  179    HE2  TYR  21           HE2      TYR  21   6.780 -14.566 -10.473
  180    HH   TYR  21           HH       TYR  21   9.798 -14.939 -12.410
  181    H    ARG  22           H        ARG  22   3.941 -11.110 -10.784
  182    HA   ARG  22           HA       ARG  22   5.626 -10.056  -8.729
  183    HB2  ARG  22           HB2      ARG  22   3.688  -9.444  -7.184
  184    HB3  ARG  22           HB3      ARG  22   4.178  -8.281  -8.393
  185    HG2  ARG  22           HG2      ARG  22   1.765  -8.369  -8.092
  186    HG3  ARG  22           HG3      ARG  22   2.247  -8.696  -9.752
  187    HD2  ARG  22           HD2      ARG  22   1.724 -11.018  -9.559
  188    HD3  ARG  22           HD3      ARG  22   1.573 -10.925  -7.796
  189    HE   ARG  22           HE       ARG  22  -0.206  -9.200  -9.420
  190   HH11  ARG  22          HH21      ARG  22  -0.141 -12.415  -7.770
  191   HH12  ARG  22          HH22      ARG  22  -1.798 -12.214  -7.256
  192   HH21  ARG  22          HH11      ARG  22  -2.461  -9.208  -8.767
  193   HH22  ARG  22          HH12      ARG  22  -3.024 -10.560  -7.806
  194    H    HIS  23           H        HIS  23   5.347 -11.220  -6.706
  195    HA   HIS  23           HA       HIS  23   3.949 -13.818  -6.985
  196    HB2  HIS  23           HB2      HIS  23   6.311 -14.146  -7.631
  197    HB3  HIS  23           HB3      HIS  23   6.856 -13.379  -6.145
  198    HD2  HIS  23           HD2      HIS  23   7.398 -14.997  -4.178
  199    HE1  HIS  23           HE1      HIS  23   5.357 -18.468  -5.546
  200    HE2  HIS  23           HE2      HIS  23   6.903 -17.541  -3.753
  201    H    TRP  24           H        TRP  24   3.968 -14.867  -4.593
  202    HA   TRP  24           HA       TRP  24   3.467 -12.689  -2.618
  203    HB2  TRP  24           HB2      TRP  24   1.486 -14.693  -3.717
  204    HB3  TRP  24           HB3      TRP  24   1.304 -13.980  -2.127
  205    HD1  TRP  24           HD1      TRP  24   1.314 -12.942  -5.819
  206    HE1  TRP  24           HE1      TRP  24   0.036 -10.726  -6.054
  207    HE3  TRP  24           HE3      TRP  24   0.624 -11.903  -0.895
  208    HZ2  TRP  24           HZ2      TRP  24  -1.225  -8.786  -4.316
  209    HZ3  TRP  24           HZ3      TRP  24  -0.630  -9.847  -0.201
  210    HH2  TRP  24           HH2      TRP  24  -1.583  -8.333  -1.885
  211    H    ALA  25           H        ALA  25   3.523 -13.306  -0.498
  212    HA   ALA  25           HA       ALA  25   4.158 -16.041   0.328
  213    HB1  ALA  25           HB1      ALA  25   6.160 -13.748   0.676
  214    HB2  ALA  25           HB2      ALA  25   6.337 -15.438   1.194
  215    HB3  ALA  25           HB3      ALA  25   6.333 -15.050  -0.521
  216    H    ILE  26           H        ILE  26   4.524 -15.918   2.864
  217    HA   ILE  26           HA       ILE  26   3.135 -13.565   4.045
  218    HB   ILE  26           HB       ILE  26   1.707 -15.617   3.662
  219   HG12  ILE  26          HG12      ILE  26   1.955 -14.750   6.576
  220   HG13  ILE  26          HG13      ILE  26   1.213 -13.785   5.284
  221   HG21  ILE  26          HG21      ILE  26   3.287 -16.864   5.932
  222   HG22  ILE  26          HG22      ILE  26   1.874 -17.536   5.111
  223   HG23  ILE  26          HG23      ILE  26   3.361 -17.336   4.216
  224   HD11  ILE  26          HD11      ILE  26   0.277 -16.495   6.273
  225   HD12  ILE  26          HD12      ILE  26  -0.590 -14.942   6.332
  226   HD13  ILE  26          HD13      ILE  26  -0.293 -15.749   4.768
  227    H    TYR  27           H        TYR  27   4.108 -12.747   5.822
  228    HA   TYR  27           HA       TYR  27   6.856 -13.407   6.326
  229    HB2  TYR  27           HB2      TYR  27   5.736 -11.159   6.318
  230    HB3  TYR  27           HB3      TYR  27   4.868 -11.607   7.770
  231    HD1  TYR  27           HD2      TYR  27   8.258 -12.827   8.143
  232    HD2  TYR  27           HD1      TYR  27   5.880  -9.228   8.136
  233    HE1  TYR  27           HE2      TYR  27   9.913 -11.755   9.550
  234    HE2  TYR  27           HE1      TYR  27   7.613  -8.099   9.522
  235    HH   TYR  27           HH       TYR  27  10.597  -9.808  10.598
  236    H    VAL  28           H        VAL  28   7.681 -14.795   7.850
  237    HA   VAL  28           HA       VAL  28   6.154 -15.340  10.301
  238    HB   VAL  28           HB       VAL  28   6.567 -17.714  10.279
  239   HG11  VAL  28          HG11      VAL  28   4.430 -16.925   9.266
  240   HG12  VAL  28          HG12      VAL  28   5.179 -17.028   7.659
  241   HG13  VAL  28          HG13      VAL  28   4.975 -18.491   8.642
  242   HG21  VAL  28          HG21      VAL  28   8.618 -17.794   8.894
  243   HG22  VAL  28          HG22      VAL  28   7.414 -18.968   8.395
  244   HG23  VAL  28          HG23      VAL  28   7.645 -17.476   7.440
  245    H    GLY  29           H        GLY  29   7.667 -16.294  12.016
  246    HA2  GLY  29           HA2      GLY  29   9.624 -16.173  13.214
  247    HA3  GLY  29           HA3      GLY  29  10.479 -16.379  11.678
  248    H    ASP  30           H        ASP  30  12.101 -14.860  12.604
  249    HA   ASP  30           HA       ASP  30  11.328 -12.088  13.042
  250    HB2  ASP  30           HB2      ASP  30  13.248 -13.092  14.204
  251    HB3  ASP  30           HB3      ASP  30  14.044 -13.415  12.662
  252    H    GLY  31           H        GLY  31  12.462 -13.961  10.269
  253    HA2  GLY  31           HA2      GLY  31  11.980 -11.750   8.412
  254    HA3  GLY  31           HA3      GLY  31  13.684 -12.161   8.647
  255    H    TYR  32           H        TYR  32  11.064 -14.605   8.733
  256    HA   TYR  32           HA       TYR  32  12.139 -15.802   6.216
  257    HB2  TYR  32           HB2      TYR  32  10.728 -17.007   8.617
  258    HB3  TYR  32           HB3      TYR  32  10.874 -17.842   7.082
  259    HD1  TYR  32           HD1      TYR  32  12.779 -16.508   9.970
  260    HD2  TYR  32           HD2      TYR  32  12.932 -18.863   6.360
  261    HE1  TYR  32           HE1      TYR  32  15.003 -17.390  10.642
  262    HE2  TYR  32           HE2      TYR  32  15.141 -19.737   7.007
  263    HH   TYR  32           HH       TYR  32  16.821 -19.757   8.637
  264    H    VAL  33           H        VAL  33  10.412 -16.921   4.955
  265    HA   VAL  33           HA       VAL  33   7.696 -15.924   5.456
  266    HB   VAL  33           HB       VAL  33   7.323 -15.653   3.016
  267   HG11  VAL  33          HG11      VAL  33   8.285 -13.393   2.764
  268   HG12  VAL  33          HG12      VAL  33   7.486 -13.655   4.313
  269   HG13  VAL  33          HG13      VAL  33   9.259 -13.682   4.223
  270   HG21  VAL  33          HG21      VAL  33   9.253 -16.850   2.104
  271   HG22  VAL  33          HG22      VAL  33   9.218 -15.188   1.502
  272   HG23  VAL  33          HG23      VAL  33  10.361 -15.650   2.783
  273    H    VAL  34           H        VAL  34   6.074 -17.271   4.624
  274    HA   VAL  34           HA       VAL  34   6.920 -19.987   3.723
  275    HB   VAL  34           HB       VAL  34   4.472 -18.972   5.211
  276   HG11  VAL  34          HG11      VAL  34   3.548 -20.364   3.461
  277   HG12  VAL  34          HG12      VAL  34   4.749 -21.641   3.780
  278   HG13  VAL  34          HG13      VAL  34   3.498 -21.250   4.982
  279   HG21  VAL  34          HG21      VAL  34   5.053 -20.746   6.798
  280   HG22  VAL  34          HG22      VAL  34   6.431 -21.212   5.774
  281   HG23  VAL  34          HG23      VAL  34   6.398 -19.622   6.550
  282    H    HIS  35           H        HIS  35   6.241 -20.541   1.634
  283    HA   HIS  35           HA       HIS  35   4.209 -18.979   0.280
  284    HB2  HIS  35           HB2      HIS  35   5.494 -17.968  -1.416
  285    HB3  HIS  35           HB3      HIS  35   6.238 -17.493   0.095
  286    HD2  HIS  35           HD2      HIS  35   8.179 -20.162   0.433
  287    HE1  HIS  35           HE1      HIS  35   9.910 -18.694  -3.165
  288    HE2  HIS  35           HE2      HIS  35  10.293 -20.179  -1.161
  289    H    LEU  36           H        LEU  36   4.076 -19.707  -2.108
  290    HA   LEU  36           HA       LEU  36   4.498 -22.634  -2.268
  291    HB2  LEU  36           HB2      LEU  36   2.971 -20.588  -3.916
  292    HB3  LEU  36           HB3      LEU  36   3.486 -22.093  -4.648
  293    HG   LEU  36           HG       LEU  36   1.200 -22.233  -3.977
  294   HD11  LEU  36          HD11      LEU  36   2.866 -24.025  -2.159
  295   HD12  LEU  36          HD12      LEU  36   1.227 -24.323  -2.739
  296   HD13  LEU  36          HD13      LEU  36   2.579 -24.308  -3.884
  297   HD21  LEU  36          HD21      LEU  36   0.467 -22.233  -1.682
  298   HD22  LEU  36          HD22      LEU  36   2.102 -21.892  -1.090
  299   HD23  LEU  36          HD23      LEU  36   1.233 -20.677  -2.061
  300    H    ALA  37           H        ALA  37   6.050 -23.500  -3.564
  301    HA   ALA  37           HA       ALA  37   7.720 -21.746  -5.268
  302    HB1  ALA  37           HB1      ALA  37   8.809 -21.809  -3.064
  303    HB2  ALA  37           HB2      ALA  37   8.665 -23.578  -3.029
  304    HB3  ALA  37           HB3      ALA  37   9.745 -22.795  -4.205
  305    HA   PRO  38           HA       PRO  38   7.806 -25.304  -8.030
  306    HB2  PRO  38           HB2      PRO  38  10.806 -24.945  -7.938
  307    HB3  PRO  38           HB3      PRO  38   9.755 -25.239  -9.363
  308    HG2  PRO  38           HG2      PRO  38  10.637 -22.740  -8.833
  309    HG3  PRO  38           HG3      PRO  38   8.917 -22.992  -9.282
  310    HD2  PRO  38           HD2      PRO  38  10.104 -22.614  -6.524
  311    HD3  PRO  38           HD3      PRO  38   8.633 -21.882  -7.236
  312    HA   PRO  39           HA       PRO  39   8.508 -28.530  -5.137
  313    HB2  PRO  39           HB2      PRO  39   8.603 -30.805  -6.733
  314    HB3  PRO  39           HB3      PRO  39   7.113 -29.916  -6.305
  315    HG2  PRO  39           HG2      PRO  39   8.748 -29.693  -8.839
  316    HG3  PRO  39           HG3      PRO  39   6.968 -29.789  -8.662
  317    HD2  PRO  39           HD2      PRO  39   8.244 -27.415  -9.034
  318    HD3  PRO  39           HD3      PRO  39   6.820 -27.542  -7.960
  319    H    SER  40           H        SER  40  10.621 -28.852  -8.026
  320    HA   SER  40           HA       SER  40  12.949 -29.471  -6.271
  321    HB2  SER  40           HB2      SER  40  12.191 -30.926  -8.837
  322    HB3  SER  40           HB3      SER  40  13.501 -31.331  -7.717
  323    HG   SER  40           HG       SER  40  11.663 -32.653  -7.412
  324    H    GLU  41           H        GLU  41  12.177 -26.960  -7.638
  325    HA   GLU  41           HA       GLU  41  12.828 -25.400  -9.122
  326    HB2  GLU  41           HB2      GLU  41  14.680 -25.665  -7.384
  327    HB3  GLU  41           HB3      GLU  41  15.647 -26.400  -8.661
  328    HG2  GLU  41           HG2      GLU  41  15.409 -24.313 -10.010
  329    HG3  GLU  41           HG3      GLU  41  14.337 -23.639  -8.791
  330    H    VAL  42           H        VAL  42  11.814 -27.532 -10.380
  331    HA   VAL  42           HA       VAL  42  13.095 -28.928 -12.344
  332    HB   VAL  42           HB       VAL  42  10.783 -28.808 -13.515
  333   HG11  VAL  42          HG11      VAL  42   9.773 -30.275 -11.802
  334   HG12  VAL  42          HG12      VAL  42  11.490 -30.644 -12.003
  335   HG13  VAL  42          HG13      VAL  42  10.944 -29.711 -10.593
  336   HG21  VAL  42          HG21      VAL  42   9.928 -27.391 -10.955
  337   HG22  VAL  42          HG22      VAL  42  10.040 -26.633 -12.562
  338   HG23  VAL  42          HG23      VAL  42   8.908 -27.959 -12.280
  339    H    ALA  43           H        ALA  43  12.638 -25.524 -12.496
  340    HA   ALA  43           HA       ALA  43  13.358 -25.505 -15.368
  341    HB1  ALA  43           HB1      ALA  43  11.107 -23.920 -14.072
  342    HB2  ALA  43           HB2      ALA  43  11.565 -23.913 -15.795
  343    HB3  ALA  43           HB3      ALA  43  10.900 -25.392 -15.049
  344    H    GLY  44           H        GLY  44  14.889 -25.102 -12.861
  345    HA2  GLY  44           HA2      GLY  44  16.118 -22.511 -13.588
  346    HA3  GLY  44           HA3      GLY  44  15.521 -22.691 -11.931
  347    H    ALA  45           H        ALA  45  16.276 -25.634 -11.787
  348    HA   ALA  45           HA       ALA  45  18.924 -25.358 -10.842
  349    HB1  ALA  45           HB1      ALA  45  17.348 -27.078 -10.051
  350    HB2  ALA  45           HB2      ALA  45  17.378 -27.867 -11.644
  351    HB3  ALA  45           HB3      ALA  45  18.841 -27.825 -10.638
  352    H    GLY  46           H        GLY  46  17.753 -26.045 -14.066
  353    HA2  GLY  46           HA2      GLY  46  19.798 -25.674 -15.702
  354    HA3  GLY  46           HA3      GLY  46  20.274 -27.246 -15.019
  355    H    ALA  47           H        ALA  47  17.665 -28.298 -14.596
  356    HA   ALA  47           HA       ALA  47  16.808 -29.263 -17.163
  357    HB1  ALA  47           HB1      ALA  47  15.441 -29.236 -14.426
  358    HB2  ALA  47           HB2      ALA  47  14.906 -30.177 -15.826
  359    HB3  ALA  47           HB3      ALA  47  16.472 -30.537 -15.073
  360    H    ALA  48           H        ALA  48  14.543 -28.938 -17.967
  361    HA   ALA  48           HA       ALA  48  13.033 -26.640 -17.134
  362    HB1  ALA  48           HB1      ALA  48  12.948 -25.595 -19.408
  363    HB2  ALA  48           HB2      ALA  48  14.575 -25.494 -18.710
  364    HB3  ALA  48           HB3      ALA  48  14.214 -26.702 -19.962
  365    H    SER  49           H        SER  49  10.935 -26.643 -18.272
  366    HA   SER  49           HA       SER  49   9.773 -29.152 -18.668
  367    HB2  SER  49           HB2      SER  49   8.820 -26.429 -19.638
  368    HB3  SER  49           HB3      SER  49   7.816 -27.844 -19.276
  369    HG   SER  49           HG       SER  49   7.898 -26.296 -17.550
  370    H    VAL  50           H        VAL  50  12.011 -27.968 -20.775
  371    HA   VAL  50           HA       VAL  50  10.831 -28.529 -23.325
  372    HB   VAL  50           HB       VAL  50  13.111 -28.617 -24.148
  373   HG11  VAL  50          HG11      VAL  50  13.824 -26.368 -23.594
  374   HG12  VAL  50          HG12      VAL  50  12.060 -26.410 -23.715
  375   HG13  VAL  50          HG13      VAL  50  12.839 -26.354 -22.120
  376   HG21  VAL  50          HG21      VAL  50  14.005 -28.574 -21.229
  377   HG22  VAL  50          HG22      VAL  50  14.300 -29.841 -22.430
  378   HG23  VAL  50          HG23      VAL  50  15.061 -28.263 -22.623
  379    H    MET  51           H        MET  51  11.762 -30.517 -20.645
  380    HA   MET  51           HA       MET  51  11.198 -32.975 -22.142
  381    HB2  MET  51           HB2      MET  51  13.187 -34.111 -21.216
  382    HB3  MET  51           HB3      MET  51  13.581 -32.828 -22.339
  383    HG2  MET  51           HG2      MET  51  15.162 -32.720 -20.618
  384    HG3  MET  51           HG3      MET  51  14.123 -31.320 -20.408
  385    HE1  MET  51           HE1      MET  51  15.536 -31.159 -18.098
  386    HE2  MET  51           HE2      MET  51  15.489 -32.406 -16.828
  387    HE3  MET  51           HE3      MET  51  16.315 -32.733 -18.367
  388    H    SER  52           H        SER  52  11.621 -34.755 -20.066
  389    HA   SER  52           HA       SER  52   9.210 -34.790 -18.888
  390    HB2  SER  52           HB2      SER  52  11.692 -36.081 -17.725
  391    HB3  SER  52           HB3      SER  52  10.031 -36.705 -17.716
  392    HG   SER  52           HG       SER  52  11.315 -37.692 -19.340
  393    H    ALA  53           H        ALA  53  11.692 -32.712 -17.644
  394    HA   ALA  53           HA       ALA  53  10.848 -32.633 -14.885
  395    HB1  ALA  53           HB1      ALA  53  12.999 -31.702 -15.655
  396    HB2  ALA  53           HB2      ALA  53  12.131 -30.488 -16.628
  397    HB3  ALA  53           HB3      ALA  53  12.010 -30.467 -14.858
  398    H    LEU  54           H        LEU  54   9.346 -31.627 -17.843
  399    HA   LEU  54           HA       LEU  54   7.610 -29.555 -17.103
  400    HB2  LEU  54           HB2      LEU  54   7.695 -30.382 -19.373
  401    HB3  LEU  54           HB3      LEU  54   7.254 -32.008 -18.862
  402    HG   LEU  54           HG       LEU  54   4.982 -31.257 -18.265
  403   HD11  LEU  54          HD11      LEU  54   4.144 -29.050 -18.860
  404   HD12  LEU  54          HD12      LEU  54   5.452 -28.862 -17.694
  405   HD13  LEU  54          HD13      LEU  54   5.743 -28.540 -19.419
  406   HD21  LEU  54          HD21      LEU  54   4.182 -30.865 -20.553
  407   HD22  LEU  54          HD22      LEU  54   5.831 -30.452 -21.076
  408   HD23  LEU  54          HD23      LEU  54   5.451 -32.097 -20.525
  409    H    THR  55           H        THR  55   6.289 -29.409 -15.395
  410    HA   THR  55           HA       THR  55   4.693 -31.652 -14.411
  411    HB   THR  55           HB       THR  55   5.525 -30.874 -12.045
  412    HG1  THR  55           HG1      THR  55   7.839 -30.292 -13.585
  413   HG21  THR  55          HG21      THR  55   7.417 -32.591 -13.699
  414   HG22  THR  55          HG22      THR  55   7.247 -32.570 -11.933
  415   HG23  THR  55          HG23      THR  55   5.911 -33.152 -12.940
  416    H    ASP  56           H        ASP  56   3.033 -30.754 -12.880
  417    HA   ASP  56           HA       ASP  56   2.532 -27.877 -13.315
  418    HB2  ASP  56           HB2      ASP  56   0.373 -28.220 -14.070
  419    HB3  ASP  56           HB3      ASP  56   1.311 -29.431 -14.937
  420    H    LYS  57           H        LYS  57   3.514 -29.396 -11.058
  421    HA   LYS  57           HA       LYS  57   1.423 -29.050  -8.947
  422    HB2  LYS  57           HB2      LYS  57   4.140 -30.460  -9.033
  423    HB3  LYS  57           HB3      LYS  57   3.247 -30.202  -7.537
  424    HG2  LYS  57           HG2      LYS  57   1.364 -31.500  -8.335
  425    HG3  LYS  57           HG3      LYS  57   2.174 -31.796  -9.895
  426    HD2  LYS  57           HD2      LYS  57   4.003 -32.951  -8.748
  427    HD3  LYS  57           HD3      LYS  57   3.295 -32.561  -7.163
  428    HE2  LYS  57           HE2      LYS  57   1.216 -33.841  -7.876
  429    HE3  LYS  57           HE3      LYS  57   2.118 -34.396  -9.295
  430    HZ1  LYS  57           HZ1      LYS  57   2.230 -35.996  -7.489
  431    HZ2  LYS  57           HZ2      LYS  57   3.727 -35.399  -7.745
  432    HZ3  LYS  57           HZ3      LYS  57   2.845 -34.885  -6.453
  433    H    ALA  58           H        ALA  58   2.336 -28.263  -6.881
  434    HA   ALA  58           HA       ALA  58   4.745 -26.574  -6.991
  435    HB1  ALA  58           HB1      ALA  58   2.838 -24.991  -7.497
  436    HB2  ALA  58           HB2      ALA  58   2.136 -25.396  -5.935
  437    HB3  ALA  58           HB3      ALA  58   3.726 -24.618  -6.005
  438    H    ILE  59           H        ILE  59   5.295 -25.905  -4.598
  439    HA   ILE  59           HA       ILE  59   4.180 -27.799  -2.613
  440    HB   ILE  59           HB       ILE  59   7.067 -27.586  -3.492
  441   HG12  ILE  59          HG12      ILE  59   5.184 -29.828  -2.799
  442   HG13  ILE  59          HG13      ILE  59   5.716 -29.393  -4.428
  443   HG21  ILE  59          HG21      ILE  59   6.220 -28.753  -0.794
  444   HG22  ILE  59          HG22      ILE  59   7.867 -28.691  -1.453
  445   HG23  ILE  59          HG23      ILE  59   7.067 -27.215  -0.976
  446   HD11  ILE  59          HD11      ILE  59   7.258 -30.785  -2.219
  447   HD12  ILE  59          HD12      ILE  59   6.869 -31.382  -3.837
  448   HD13  ILE  59          HD13      ILE  59   8.075 -30.091  -3.639
  449    H    VAL  60           H        VAL  60   4.307 -27.075  -0.544
  450    HA   VAL  60           HA       VAL  60   4.516 -24.105  -0.289
  451    HB   VAL  60           HB       VAL  60   3.609 -26.153   1.774
  452   HG11  VAL  60          HG11      VAL  60   2.620 -24.202   2.910
  453   HG12  VAL  60          HG12      VAL  60   4.352 -23.942   2.691
  454   HG13  VAL  60          HG13      VAL  60   3.200 -23.123   1.621
  455   HG21  VAL  60          HG21      VAL  60   1.858 -24.441  -0.046
  456   HG22  VAL  60          HG22      VAL  60   2.034 -26.210  -0.142
  457   HG23  VAL  60          HG23      VAL  60   1.299 -25.472   1.281
  458    H    LYS  61           H        LYS  61   6.418 -23.231   0.454
  459    HA   LYS  61           HA       LYS  61   8.284 -24.951   2.029
  460    HB2  LYS  61           HB2      LYS  61   8.938 -23.200  -0.387
  461    HB3  LYS  61           HB3      LYS  61  10.158 -23.733   0.783
  462    HG2  LYS  61           HG2      LYS  61   9.460 -26.092   0.413
  463    HG3  LYS  61           HG3      LYS  61   8.382 -25.518  -0.885
  464    HD2  LYS  61           HD2      LYS  61  10.384 -24.621  -2.097
  465    HD3  LYS  61           HD3      LYS  61  11.422 -25.334  -0.850
  466    HE2  LYS  61           HE2      LYS  61  10.664 -27.572  -1.372
  467    HE3  LYS  61           HE3      LYS  61   9.361 -26.965  -2.401
  468    HZ1  LYS  61           HZ1      LYS  61  12.225 -26.619  -3.056
  469    HZ2  LYS  61           HZ2      LYS  61  11.270 -27.814  -3.653
  470    HZ3  LYS  61           HZ3      LYS  61  10.924 -26.273  -4.023
  471    H    LYS  62           H        LYS  62   9.939 -23.627   3.105
  472    HA   LYS  62           HA       LYS  62   9.007 -20.911   3.851
  473    HB2  LYS  62           HB2      LYS  62   8.430 -22.377   5.740
  474    HB3  LYS  62           HB3      LYS  62  10.057 -23.063   5.747
  475    HG2  LYS  62           HG2      LYS  62  10.990 -20.823   6.332
  476    HG3  LYS  62           HG3      LYS  62   9.348 -20.154   6.363
  477    HD2  LYS  62           HD2      LYS  62   8.750 -21.563   8.252
  478    HD3  LYS  62           HD3      LYS  62  10.270 -22.476   8.114
  479    HE2  LYS  62           HE2      LYS  62  11.567 -20.419   8.607
  480    HE3  LYS  62           HE3      LYS  62  10.063 -19.502   8.764
  481    HZ1  LYS  62           HZ1      LYS  62  10.810 -21.788  10.496
  482    HZ2  LYS  62           HZ2      LYS  62  10.946 -20.217  10.913
  483    HZ3  LYS  62           HZ3      LYS  62   9.462 -20.855  10.654
  484    H    GLU  63           H        GLU  63  10.683 -19.434   3.705
  485    HA   GLU  63           HA       GLU  63  13.487 -20.302   3.532
  486    HB2  GLU  63           HB2      GLU  63  11.989 -18.998   1.204
  487    HB3  GLU  63           HB3      GLU  63  13.749 -19.119   1.325
  488    HG2  GLU  63           HG2      GLU  63  13.538 -21.619   1.418
  489    HG3  GLU  63           HG3      GLU  63  11.798 -21.454   1.144
  490    H    LEU  64           H        LEU  64  14.891 -18.268   3.448
  491    HA   LEU  64           HA       LEU  64  13.926 -16.217   5.221
  492    HB2  LEU  64           HB2      LEU  64  16.331 -16.465   3.362
  493    HB3  LEU  64           HB3      LEU  64  15.953 -14.930   4.118
  494    HG   LEU  64           HG       LEU  64  17.674 -15.855   5.356
  495   HD11  LEU  64          HD11      LEU  64  16.795 -16.007   7.600
  496   HD12  LEU  64          HD12      LEU  64  15.896 -14.778   6.694
  497   HD13  LEU  64          HD13      LEU  64  15.171 -16.368   7.000
  498   HD21  LEU  64          HD21      LEU  64  17.619 -18.145   4.668
  499   HD22  LEU  64          HD22      LEU  64  17.573 -18.093   6.438
  500   HD23  LEU  64          HD23      LEU  64  16.093 -18.429   5.511
  501    H    LEU  65           H        LEU  65  13.078 -14.182   4.786
  502    HA   LEU  65           HA       LEU  65  11.573 -13.808   2.415
  503    HB2  LEU  65           HB2      LEU  65  11.188 -12.637   4.580
  504    HB3  LEU  65           HB3      LEU  65  12.623 -11.657   4.321
  505    HG   LEU  65           HG       LEU  65  10.517 -11.732   2.136
  506   HD11  LEU  65          HD11      LEU  65   9.211 -11.353   4.230
  507   HD12  LEU  65          HD12      LEU  65  10.296 -10.028   4.673
  508   HD13  LEU  65          HD13      LEU  65   9.260  -9.895   3.236
  509   HD21  LEU  65          HD21      LEU  65  12.591 -10.342   1.766
  510   HD22  LEU  65          HD22      LEU  65  11.147  -9.360   1.843
  511   HD23  LEU  65          HD23      LEU  65  12.235  -9.441   3.244
  512    H    TYR  66           H        TYR  66  14.827 -12.653   3.308
  513    HA   TYR  66           HA       TYR  66  15.235 -10.914   1.192
  514    HB2  TYR  66           HB2      TYR  66  17.431 -12.593   2.432
  515    HB3  TYR  66           HB3      TYR  66  17.531 -10.941   1.836
  516    HD1  TYR  66           HD2      TYR  66  15.796  -9.238   3.067
  517    HD2  TYR  66           HD1      TYR  66  17.289 -12.922   4.756
  518    HE1  TYR  66           HE2      TYR  66  15.162  -8.453   5.324
  519    HE2  TYR  66           HE1      TYR  66  16.644 -12.150   7.017
  520    HH   TYR  66           HH       TYR  66  15.097  -8.958   7.602
  521    H    ASP  67           H        ASP  67  15.452 -14.459   1.149
  522    HA   ASP  67           HA       ASP  67  16.883 -14.529  -1.421
  523    HB2  ASP  67           HB2      ASP  67  17.219 -16.313   0.245
  524    HB3  ASP  67           HB3      ASP  67  15.501 -16.724   0.170
  525    H    VAL  68           H        VAL  68  13.534 -14.964  -0.184
  526    HA   VAL  68           HA       VAL  68  12.374 -15.633  -2.722
  527    HB   VAL  68           HB       VAL  68  11.122 -14.444  -0.186
  528   HG11  VAL  68          HG11      VAL  68   8.999 -15.393  -1.062
  529   HG12  VAL  68          HG12      VAL  68   9.629 -14.127  -2.116
  530   HG13  VAL  68          HG13      VAL  68   9.812 -15.832  -2.578
  531   HG21  VAL  68          HG21      VAL  68  10.414 -16.901   0.090
  532   HG22  VAL  68          HG22      VAL  68  11.526 -17.305  -1.218
  533   HG23  VAL  68          HG23      VAL  68  12.141 -16.614   0.294
  534    H    ALA  69           H        ALA  69  12.996 -12.556  -1.053
  535    HA   ALA  69           HA       ALA  69  11.959 -10.910  -3.212
  536    HB1  ALA  69           HB1      ALA  69  13.636 -10.195  -0.767
  537    HB2  ALA  69           HB2      ALA  69  12.775  -9.061  -1.829
  538    HB3  ALA  69           HB3      ALA  69  11.856 -10.200  -0.833
  539    H    GLY  70           H        GLY  70  14.077 -12.906  -3.950
  540    HA2  GLY  70           HA2      GLY  70  16.566 -11.733  -4.508
  541    HA3  GLY  70           HA3      GLY  70  15.750 -12.968  -5.484
  542    H    SER  71           H        SER  71  13.407 -11.109  -6.005
  543    HA   SER  71           HA       SER  71  14.223  -9.690  -8.309
  544    HB2  SER  71           HB2      SER  71  11.744  -9.150  -6.643
  545    HB3  SER  71           HB3      SER  71  11.948  -9.042  -8.402
  546    HG   SER  71           HG       SER  71  12.351 -11.383  -8.299
  547    H    ASP  72           H        ASP  72  14.901  -8.863  -5.118
  548    HA   ASP  72           HA       ASP  72  15.558  -7.110  -4.005
  549    HB2  ASP  72           HB2      ASP  72  17.068  -7.009  -6.001
  550    HB3  ASP  72           HB3      ASP  72  15.976  -5.784  -6.670
  551    H    LYS  73           H        LYS  73  12.829  -7.237  -5.026
  552    HA   LYS  73           HA       LYS  73  11.797  -4.568  -4.180
  553    HB2  LYS  73           HB2      LYS  73  11.660  -6.049  -6.791
  554    HB3  LYS  73           HB3      LYS  73  10.220  -5.134  -6.282
  555    HG2  LYS  73           HG2      LYS  73  11.601  -3.110  -6.005
  556    HG3  LYS  73           HG3      LYS  73  13.007  -3.978  -6.641
  557    HD2  LYS  73           HD2      LYS  73  10.424  -3.330  -8.112
  558    HD3  LYS  73           HD3      LYS  73  12.011  -2.641  -8.423
  559    HE2  LYS  73           HE2      LYS  73  11.145  -5.532  -8.920
  560    HE3  LYS  73           HE3      LYS  73  11.393  -4.278 -10.135
  561    HZ1  LYS  73           HZ1      LYS  73  13.478  -5.593  -8.495
  562    HZ2  LYS  73           HZ2      LYS  73  13.309  -5.618 -10.108
  563    HZ3  LYS  73           HZ3      LYS  73  13.770  -4.233  -9.388
  564    H    TYR  74           H        TYR  74  10.209  -4.846  -2.774
  565    HA   TYR  74           HA       TYR  74   8.121  -6.785  -3.051
  566    HB2  TYR  74           HB2      TYR  74   8.477  -8.095  -1.082
  567    HB3  TYR  74           HB3      TYR  74   9.905  -8.253  -2.065
  568    HD1  TYR  74           HD1      TYR  74  12.015  -6.887  -1.352
  569    HD2  TYR  74           HD2      TYR  74   8.520  -7.284   1.149
  570    HE1  TYR  74           HE1      TYR  74  13.352  -6.217   0.618
  571    HE2  TYR  74           HE2      TYR  74   9.841  -6.596   3.119
  572    HH   TYR  74           HH       TYR  74  11.934  -5.943   3.913
  573    H    GLN  75           H        GLN  75   6.518  -6.527  -1.218
  574    HA   GLN  75           HA       GLN  75   6.990  -4.473   0.717
  575    HB2  GLN  75           HB2      GLN  75   5.132  -2.972   0.131
  576    HB3  GLN  75           HB3      GLN  75   6.406  -2.956  -1.077
  577    HG2  GLN  75           HG2      GLN  75   5.017  -4.534  -2.482
  578    HG3  GLN  75           HG3      GLN  75   3.701  -4.337  -1.321
  579   HE21  GLN  75          HE22      GLN  75   3.477  -3.674  -4.083
  580   HE22  GLN  75          HE21      GLN  75   3.326  -1.924  -4.235
  581    H    VAL  76           H        VAL  76   5.134  -4.265   2.249
  582    HA   VAL  76           HA       VAL  76   3.703  -6.790   2.655
  583    HB   VAL  76           HB       VAL  76   3.522  -4.065   4.026
  584   HG11  VAL  76          HG11      VAL  76   2.259  -5.265   5.814
  585   HG12  VAL  76          HG12      VAL  76   1.371  -5.244   4.298
  586   HG13  VAL  76          HG13      VAL  76   2.214  -6.716   4.797
  587   HG21  VAL  76          HG21      VAL  76   5.679  -5.248   4.451
  588   HG22  VAL  76          HG22      VAL  76   4.671  -5.134   5.898
  589   HG23  VAL  76          HG23      VAL  76   4.769  -6.667   5.014
  590    H    ASN  77           H        ASN  77   1.567  -7.084   1.968
  591    HA   ASN  77           HA       ASN  77   0.018  -4.759   1.069
  592    HB2  ASN  77           HB2      ASN  77   1.175  -5.382  -1.022
  593    HB3  ASN  77           HB3      ASN  77   0.517  -7.018  -0.896
  594   HD21  ASN  77          HD22      ASN  77  -0.313  -6.257  -3.132
  595   HD22  ASN  77          HD21      ASN  77  -1.918  -5.528  -3.138
  596    H    ASN  78           H        ASN  78  -0.684  -5.713   3.293
  597    HA   ASN  78           HA       ASN  78  -2.352  -7.906   3.466
  598    HB2  ASN  78           HB2      ASN  78  -1.637  -5.999   5.201
  599    HB3  ASN  78           HB3      ASN  78  -3.147  -5.245   4.692
  600   HD21  ASN  78          HD22      ASN  78  -1.597  -7.847   6.216
  601   HD22  ASN  78          HD21      ASN  78  -3.015  -8.678   6.917
  602    H    LYS  79           H        LYS  79  -4.301  -8.392   2.623
  603    HA   LYS  79           HA       LYS  79  -5.656  -6.334   0.938
  604    HB2  LYS  79           HB2      LYS  79  -5.761  -9.362   0.877
  605    HB3  LYS  79           HB3      LYS  79  -6.750  -8.297  -0.131
  606    HG2  LYS  79           HG2      LYS  79  -4.495  -7.163  -0.822
  607    HG3  LYS  79           HG3      LYS  79  -3.723  -8.593  -0.147
  608    HD2  LYS  79           HD2      LYS  79  -3.921  -8.718  -2.559
  609    HD3  LYS  79           HD3      LYS  79  -4.864 -10.017  -1.804
  610    HE2  LYS  79           HE2      LYS  79  -6.932  -8.955  -2.290
  611    HE3  LYS  79           HE3      LYS  79  -6.173  -7.381  -2.562
  612    HZ1  LYS  79           HZ1      LYS  79  -6.878  -8.574  -4.610
  613    HZ2  LYS  79           HZ2      LYS  79  -5.310  -8.132  -4.617
  614    HZ3  LYS  79           HZ3      LYS  79  -5.702  -9.696  -4.357
  615    H    HIS  80           H        HIS  80  -6.019  -7.336   4.042
  616    HA   HIS  80           HA       HIS  80  -8.959  -6.796   3.960
  617    HB2  HIS  80           HB2      HIS  80  -7.617  -8.698   5.895
  618    HB3  HIS  80           HB3      HIS  80  -9.329  -8.360   5.700
  619    HD2  HIS  80           HD2      HIS  80  -6.450 -10.367   4.152
  620    HE1  HIS  80           HE1      HIS  80  -9.840 -11.302   1.757
  621    HE2  HIS  80           HE2      HIS  80  -7.368 -11.794   2.169
  622    H    ASP  81           H        ASP  81  -6.499  -5.055   4.573
  623    HA   ASP  81           HA       ASP  81  -6.769  -4.528   7.395
  624    HB2  ASP  81           HB2      ASP  81  -4.738  -4.079   5.951
  625    HB3  ASP  81           HB3      ASP  81  -5.663  -2.812   5.136
  626    H    ASP  82           H        ASP  82  -9.143  -4.446   5.626
  627    HA   ASP  82           HA       ASP  82 -10.363  -1.970   6.797
  628    HB2  ASP  82           HB2      ASP  82 -10.117  -1.664   4.353
  629    HB3  ASP  82           HB3      ASP  82 -11.006  -3.163   4.075
  630    H    LYS  83           H        LYS  83 -10.269  -5.340   6.701
  631    HA   LYS  83           HA       LYS  83 -13.139  -5.669   7.471
  632    HB2  LYS  83           HB2      LYS  83 -11.525  -7.720   5.936
  633    HB3  LYS  83           HB3      LYS  83 -13.262  -7.683   6.215
  634    HG2  LYS  83           HG2      LYS  83 -11.694  -5.876   4.349
  635    HG3  LYS  83           HG3      LYS  83 -12.707  -7.250   3.909
  636    HD2  LYS  83           HD2      LYS  83 -14.705  -6.062   4.895
  637    HD3  LYS  83           HD3      LYS  83 -13.662  -4.652   5.183
  638    HE2  LYS  83           HE2      LYS  83 -13.000  -4.911   2.685
  639    HE3  LYS  83           HE3      LYS  83 -14.433  -5.941   2.557
  640    HZ1  LYS  83           HZ1      LYS  83 -14.948  -3.642   1.995
  641    HZ2  LYS  83           HZ2      LYS  83 -15.733  -4.010   3.379
  642    HZ3  LYS  83           HZ3      LYS  83 -14.355  -3.100   3.424
  643    H    TYR  84           H        TYR  84  -9.779  -6.631   7.867
  644    HA   TYR  84           HA       TYR  84  -8.599  -7.582   9.361
  645    HB2  TYR  84           HB2      TYR  84 -10.840  -7.177  11.335
  646    HB3  TYR  84           HB3      TYR  84  -9.105  -7.285  11.663
  647    HD1  TYR  84           HD2      TYR  84  -7.679  -5.677   9.991
  648    HD2  TYR  84           HD1      TYR  84 -11.757  -4.997  11.206
  649    HE1  TYR  84           HE2      TYR  84  -7.484  -3.290   9.312
  650    HE2  TYR  84           HE1      TYR  84 -11.607  -2.645  10.459
  651    HH   TYR  84           HH       TYR  84  -8.629  -1.280   8.995
  652    H    SER  85           H        SER  85  -7.857  -9.347  10.058
  653    HA   SER  85           HA       SER  85  -8.970 -11.691   9.061
  654    HB2  SER  85           HB2      SER  85  -6.769 -11.308  11.120
  655    HB3  SER  85           HB3      SER  85  -7.093 -12.820  10.252
  656    HG   SER  85           HG       SER  85  -6.235 -12.078   8.557
  657    HA   PRO  86           HA       PRO  86 -11.438 -13.167  12.592
  658    HB2  PRO  86           HB2      PRO  86 -11.952 -15.708  11.704
  659    HB3  PRO  86           HB3      PRO  86 -12.814 -14.261  11.094
  660    HG2  PRO  86           HG2      PRO  86 -10.485 -15.728   9.838
  661    HG3  PRO  86           HG3      PRO  86 -11.974 -15.127   9.049
  662    HD2  PRO  86           HD2      PRO  86  -9.603 -13.760   8.997
  663    HD3  PRO  86           HD3      PRO  86 -11.180 -12.919   9.022
  664    H    LEU  87           H        LEU  87  -8.469 -14.311  11.357
  665    HA   LEU  87           HA       LEU  87  -7.912 -16.174  13.591
  666    HB2  LEU  87           HB2      LEU  87  -6.546 -15.573  10.935
  667    HB3  LEU  87           HB3      LEU  87  -5.945 -16.738  12.124
  668    HG   LEU  87           HG       LEU  87  -8.630 -16.895  10.681
  669   HD11  LEU  87          HD11      LEU  87  -7.585 -18.758   9.425
  670   HD12  LEU  87          HD12      LEU  87  -6.737 -17.227   9.158
  671   HD13  LEU  87          HD13      LEU  87  -6.037 -18.445  10.242
  672   HD21  LEU  87          HD21      LEU  87  -8.677 -19.246  11.545
  673   HD22  LEU  87          HD22      LEU  87  -7.234 -18.899  12.524
  674   HD23  LEU  87          HD23      LEU  87  -8.770 -18.056  12.839
  675    HA   PRO  88           HA       PRO  88  -5.382 -12.773  15.333
  676    HB2  PRO  88           HB2      PRO  88  -4.268 -15.123  16.853
  677    HB3  PRO  88           HB3      PRO  88  -4.734 -13.512  17.470
  678    HG2  PRO  88           HG2      PRO  88  -6.345 -15.668  17.857
  679    HG3  PRO  88           HG3      PRO  88  -7.047 -14.078  17.414
  680    HD2  PRO  88           HD2      PRO  88  -6.527 -16.460  15.625
  681    HD3  PRO  88           HD3      PRO  88  -7.938 -15.364  15.681
  682    H    CYS  89           H        CYS  89  -3.080 -12.252  15.193
  683    HA   CYS  89           HA       CYS  89  -1.775 -13.205  12.903
  684    HB2  CYS  89           HB2      CYS  89   0.240 -12.014  13.869
  685    HB3  CYS  89           HB3      CYS  89  -1.228 -11.043  13.714
  686    HG   CYS  89           HG       CYS  89   0.028 -10.369  15.902
  687    H    SER  90           H        SER  90  -1.400 -14.309  16.290
  688    HA   SER  90           HA       SER  90   0.813 -16.025  15.956
  689    HB2  SER  90           HB2      SER  90  -0.444 -17.282  17.872
  690    HB3  SER  90           HB3      SER  90   0.114 -15.619  18.157
  691    HG   SER  90           HG       SER  90  -2.043 -15.897  18.828
  692    H    LYS  91           H        LYS  91  -2.678 -16.703  15.643
  693    HA   LYS  91           HA       LYS  91  -2.308 -19.422  14.905
  694    HB2  LYS  91           HB2      LYS  91  -4.734 -17.728  14.250
  695    HB3  LYS  91           HB3      LYS  91  -4.641 -19.484  14.369
  696    HG2  LYS  91           HG2      LYS  91  -4.467 -17.449  16.615
  697    HG3  LYS  91           HG3      LYS  91  -5.722 -18.641  16.350
  698    HD2  LYS  91           HD2      LYS  91  -2.854 -19.153  17.245
  699    HD3  LYS  91           HD3      LYS  91  -4.291 -19.264  18.237
  700    HE2  LYS  91           HE2      LYS  91  -3.698 -21.063  15.840
  701    HE3  LYS  91           HE3      LYS  91  -3.338 -21.463  17.520
  702    HZ1  LYS  91           HZ1      LYS  91  -5.711 -21.341  18.007
  703    HZ2  LYS  91           HZ2      LYS  91  -6.065 -20.998  16.447
  704    HZ3  LYS  91           HZ3      LYS  91  -5.423 -22.440  16.845
  705    H    ILE  92           H        ILE  92  -2.544 -16.465  12.900
  706    HA   ILE  92           HA       ILE  92  -2.653 -17.765  10.370
  707    HB   ILE  92           HB       ILE  92  -1.409 -15.114  11.209
  708   HG12  ILE  92          HG12      ILE  92  -4.055 -15.698   9.801
  709   HG13  ILE  92          HG13      ILE  92  -3.911 -15.429  11.524
  710   HG21  ILE  92          HG21      ILE  92  -1.948 -16.145   8.393
  711   HG22  ILE  92          HG22      ILE  92  -1.446 -14.489   8.806
  712   HG23  ILE  92          HG23      ILE  92  -0.355 -15.822   9.105
  713   HD11  ILE  92          HD11      ILE  92  -4.636 -13.389  10.500
  714   HD12  ILE  92          HD12      ILE  92  -2.978 -13.153  11.087
  715   HD13  ILE  92          HD13      ILE  92  -3.292 -13.405   9.362
  716    H    ILE  93           H        ILE  93   0.226 -16.748  12.341
  717    HA   ILE  93           HA       ILE  93   2.170 -17.781  10.540
  718    HB   ILE  93           HB       ILE  93   2.234 -17.305  13.554
  719   HG12  ILE  93          HG12      ILE  93   3.367 -15.532  11.349
  720   HG13  ILE  93          HG13      ILE  93   1.737 -15.339  11.972
  721   HG21  ILE  93          HG21      ILE  93   4.549 -17.720  11.624
  722   HG22  ILE  93          HG22      ILE  93   4.709 -17.206  13.320
  723   HG23  ILE  93          HG23      ILE  93   4.071 -18.800  12.948
  724   HD11  ILE  93          HD11      ILE  93   2.695 -15.092  14.303
  725   HD12  ILE  93          HD12      ILE  93   4.305 -14.991  13.545
  726   HD13  ILE  93          HD13      ILE  93   3.058 -13.787  13.171
  727    H    GLN  94           H        GLN  94   0.567 -19.184  13.401
  728    HA   GLN  94           HA       GLN  94   1.934 -21.645  13.528
  729    HB2  GLN  94           HB2      GLN  94  -0.893 -20.805  14.258
  730    HB3  GLN  94           HB3      GLN  94  -0.389 -22.469  14.454
  731    HG2  GLN  94           HG2      GLN  94   0.959 -20.081  15.780
  732    HG3  GLN  94           HG3      GLN  94  -0.231 -21.140  16.533
  733   HE21  GLN  94          HE22      GLN  94   0.491 -23.694  16.034
  734   HE22  GLN  94          HE21      GLN  94   2.132 -24.018  16.527
  735    H    ARG  95           H        ARG  95  -1.052 -20.809  11.691
  736    HA   ARG  95           HA       ARG  95  -1.281 -23.421  10.509
  737    HB2  ARG  95           HB2      ARG  95  -2.355 -20.686   9.691
  738    HB3  ARG  95           HB3      ARG  95  -2.699 -22.144   8.767
  739    HG2  ARG  95           HG2      ARG  95  -3.352 -21.872  11.733
  740    HG3  ARG  95           HG3      ARG  95  -4.485 -21.448  10.455
  741    HD2  ARG  95           HD2      ARG  95  -3.234 -24.208  10.759
  742    HD3  ARG  95           HD3      ARG  95  -4.789 -23.750  11.449
  743    HE   ARG  95           HE       ARG  95  -5.251 -23.080   8.925
  744   HH11  ARG  95          HH21      ARG  95  -3.671 -26.080  10.108
  745   HH12  ARG  95          HH22      ARG  95  -4.472 -27.074   8.944
  746   HH21  ARG  95          HH11      ARG  95  -6.174 -24.422   7.324
  747   HH22  ARG  95          HH12      ARG  95  -5.844 -26.109   7.290
  748    H    ALA  96           H        ALA  96   0.262 -20.372   9.315
  749    HA   ALA  96           HA       ALA  96   0.961 -21.298   6.794
  750    HB1  ALA  96           HB1      ALA  96   2.711 -19.535   8.586
  751    HB2  ALA  96           HB2      ALA  96   2.691 -19.572   6.817
  752    HB3  ALA  96           HB3      ALA  96   1.293 -18.941   7.713
  753    H    GLU  97           H        GLU  97   2.878 -21.583   9.793
  754    HA   GLU  97           HA       GLU  97   4.967 -23.058   8.482
  755    HB2  GLU  97           HB2      GLU  97   4.367 -22.643  11.439
  756    HB3  GLU  97           HB3      GLU  97   5.855 -23.348  10.784
  757    HG2  GLU  97           HG2      GLU  97   6.177 -21.220   9.439
  758    HG3  GLU  97           HG3      GLU  97   4.854 -20.500  10.352
  759    H    GLU  98           H        GLU  98   1.887 -24.166   9.843
  760    HA   GLU  98           HA       GLU  98   2.780 -26.836  10.436
  761    HB2  GLU  98           HB2      GLU  98   1.016 -25.994  11.736
  762    HB3  GLU  98           HB3      GLU  98   0.210 -25.237  10.359
  763    HG2  GLU  98           HG2      GLU  98  -0.528 -27.287   9.494
  764    HG3  GLU  98           HG3      GLU  98   0.400 -28.219  10.692
  765    H    LEU  99           H        LEU  99   1.663 -24.965   7.693
  766    HA   LEU  99           HA       LEU  99   0.884 -27.356   6.165
  767    HB2  LEU  99           HB2      LEU  99   0.565 -24.366   5.715
  768    HB3  LEU  99           HB3      LEU  99  -0.064 -25.586   4.614
  769    HG   LEU  99           HG       LEU  99  -0.832 -25.440   7.571
  770   HD11  LEU  99          HD11      LEU  99  -2.971 -24.453   6.776
  771   HD12  LEU  99          HD12      LEU  99  -1.572 -23.419   6.509
  772   HD13  LEU  99          HD13      LEU  99  -2.282 -24.311   5.140
  773   HD21  LEU  99          HD21      LEU  99  -2.730 -26.858   6.928
  774   HD22  LEU  99          HD22      LEU  99  -2.178 -26.897   5.246
  775   HD23  LEU  99          HD23      LEU  99  -1.223 -27.675   6.540
  776    H    VAL 100           H        VAL 100   3.760 -25.703   6.535
  777    HA   VAL 100           HA       VAL 100   4.826 -25.822   3.852
  778    HB   VAL 100           HB       VAL 100   6.043 -25.871   6.655
  779   HG11  VAL 100          HG11      VAL 100   7.730 -26.887   5.228
  780   HG12  VAL 100          HG12      VAL 100   7.522 -25.613   4.006
  781   HG13  VAL 100          HG13      VAL 100   8.218 -25.235   5.597
  782   HG21  VAL 100          HG21      VAL 100   6.588 -23.564   6.291
  783   HG22  VAL 100          HG22      VAL 100   6.071 -23.630   4.587
  784   HG23  VAL 100          HG23      VAL 100   4.886 -23.743   5.894
  785    H    GLY 101           H        GLY 101   6.104 -27.425   2.902
  786    HA2  GLY 101           HA2      GLY 101   7.140 -29.452   2.667
  787    HA3  GLY 101           HA3      GLY 101   6.687 -29.898   4.320
  788    H    GLN 102           H        GLN 102   4.204 -28.827   2.013
  789    HA   GLN 102           HA       GLN 102   3.472 -31.615   1.392
  790    HB2  GLN 102           HB2      GLN 102   1.234 -31.257   1.820
  791    HB3  GLN 102           HB3      GLN 102   2.000 -30.380   3.150
  792    HG2  GLN 102           HG2      GLN 102   1.708 -28.249   1.822
  793    HG3  GLN 102           HG3      GLN 102   0.810 -29.166   0.610
  794   HE21  GLN 102          HE22      GLN 102   0.649 -27.607   3.674
  795   HE22  GLN 102          HE21      GLN 102  -1.025 -28.017   4.056
  796    H    GLU 103           H        GLU 103   2.312 -31.745  -0.627
  797    HA   GLU 103           HA       GLU 103   3.136 -29.690  -2.592
  798    HB2  GLU 103           HB2      GLU 103   3.057 -31.608  -4.195
  799    HB3  GLU 103           HB3      GLU 103   4.252 -31.823  -2.906
  800    HG2  GLU 103           HG2      GLU 103   2.786 -33.301  -1.668
  801    HG3  GLU 103           HG3      GLU 103   1.515 -33.122  -2.887
  802    H    VAL 104           H        VAL 104   1.720 -29.156  -4.254
  803    HA   VAL 104           HA       VAL 104  -1.124 -29.903  -3.938
  804    HB   VAL 104           HB       VAL 104  -1.578 -27.517  -4.515
  805   HG11  VAL 104          HG11      VAL 104  -0.210 -27.888  -1.818
  806   HG12  VAL 104          HG12      VAL 104  -1.416 -26.654  -2.228
  807   HG13  VAL 104          HG13      VAL 104  -1.878 -28.363  -2.202
  808   HG21  VAL 104          HG21      VAL 104   0.653 -26.863  -5.313
  809   HG22  VAL 104          HG22      VAL 104   0.033 -25.770  -4.076
  810   HG23  VAL 104          HG23      VAL 104   1.279 -26.948  -3.645
  811    H    LEU 105           H        LEU 105  -2.281 -29.751  -5.944
  812    HA   LEU 105           HA       LEU 105  -0.458 -30.455  -8.156
  813    HB2  LEU 105           HB2      LEU 105  -3.251 -31.217  -7.302
  814    HB3  LEU 105           HB3      LEU 105  -2.847 -31.356  -9.000
  815    HG   LEU 105           HG       LEU 105  -0.978 -32.852  -8.544
  816   HD11  LEU 105          HD11      LEU 105  -0.740 -33.914  -6.282
  817   HD12  LEU 105          HD12      LEU 105  -0.243 -32.225  -6.312
  818   HD13  LEU 105          HD13      LEU 105  -1.819 -32.671  -5.619
  819   HD21  LEU 105          HD21      LEU 105  -2.314 -34.812  -7.890
  820   HD22  LEU 105          HD22      LEU 105  -3.579 -33.750  -7.231
  821   HD23  LEU 105          HD23      LEU 105  -3.233 -33.758  -8.974
  822    H    TYR 106           H        TYR 106  -1.661 -27.665  -7.330
  823    HA   TYR 106           HA       TYR 106  -2.361 -26.836 -10.089
  824    HB2  TYR 106           HB2      TYR 106  -2.960 -24.679  -9.138
  825    HB3  TYR 106           HB3      TYR 106  -3.930 -25.981  -8.493
  826    HD1  TYR 106           HD1      TYR 106  -0.957 -23.817  -7.685
  827    HD2  TYR 106           HD2      TYR 106  -4.193 -26.225  -6.149
  828    HE1  TYR 106           HE1      TYR 106  -0.480 -22.999  -5.396
  829    HE2  TYR 106           HE2      TYR 106  -3.735 -25.397  -3.864
  830    HH   TYR 106           HH       TYR 106  -2.408 -24.011  -2.539
  831    H    LYS 107           H        LYS 107  -0.962 -25.432 -11.188
  832    HA   LYS 107           HA       LYS 107   1.762 -25.568 -10.551
  833    HB2  LYS 107           HB2      LYS 107   0.240 -25.246 -12.789
  834    HB3  LYS 107           HB3      LYS 107   0.568 -23.536 -12.461
  835    HG2  LYS 107           HG2      LYS 107   3.032 -24.124 -12.412
  836    HG3  LYS 107           HG3      LYS 107   2.566 -25.801 -12.709
  837    HD2  LYS 107           HD2      LYS 107   3.371 -24.726 -14.783
  838    HD3  LYS 107           HD3      LYS 107   1.688 -25.212 -14.917
  839    HE2  LYS 107           HE2      LYS 107   1.982 -23.058 -15.958
  840    HE3  LYS 107           HE3      LYS 107   0.947 -22.873 -14.546
  841    HZ1  LYS 107           HZ1      LYS 107   2.686 -21.147 -14.818
  842    HZ2  LYS 107           HZ2      LYS 107   2.766 -21.854 -13.363
  843    HZ3  LYS 107           HZ3      LYS 107   3.850 -22.247 -14.545
  844    H    LEU 108           H        LEU 108   3.228 -23.685 -10.443
  845    HA   LEU 108           HA       LEU 108   2.482 -21.596  -8.586
  846    HB2  LEU 108           HB2      LEU 108   4.802 -21.839 -10.586
  847    HB3  LEU 108           HB3      LEU 108   4.570 -20.469  -9.525
  848    HG   LEU 108           HG       LEU 108   6.252 -21.760  -8.557
  849   HD11  LEU 108          HD11      LEU 108   4.602 -20.829  -6.972
  850   HD12  LEU 108          HD12      LEU 108   3.723 -22.381  -6.985
  851   HD13  LEU 108          HD13      LEU 108   5.376 -22.295  -6.370
  852   HD21  LEU 108          HD21      LEU 108   5.966 -24.137  -7.879
  853   HD22  LEU 108          HD22      LEU 108   4.470 -24.215  -8.788
  854   HD23  LEU 108          HD23      LEU 108   5.992 -23.893  -9.634
  855    H    THR 109           H        THR 109   1.286 -19.848  -9.035
  856    HA   THR 109           HA       THR 109   1.691 -18.406 -11.509
  857    HB   THR 109           HB       THR 109  -0.671 -17.979 -11.908
  858    HG1  THR 109           HG1      THR 109  -2.252 -19.216 -10.844
  859   HG21  THR 109          HG21      THR 109  -0.326 -21.004 -11.856
  860   HG22  THR 109          HG22      THR 109  -1.439 -20.062 -12.868
  861   HG23  THR 109          HG23      THR 109   0.307 -19.926 -13.126
  862    H    SER 110           H        SER 110   1.231 -16.119 -11.070
  863    HA   SER 110           HA       SER 110   1.751 -15.209  -8.488
  864    HB2  SER 110           HB2      SER 110   0.209 -13.826 -10.734
  865    HB3  SER 110           HB3      SER 110   1.082 -13.034  -9.410
  866    HG   SER 110           HG       SER 110   2.943 -13.556 -10.233
  867    H    GLU 111           H        GLU 111  -1.373 -16.043  -9.997
  868    HA   GLU 111           HA       GLU 111  -2.975 -14.832  -7.891
  869    HB2  GLU 111           HB2      GLU 111  -3.648 -16.751 -10.164
  870    HB3  GLU 111           HB3      GLU 111  -4.835 -16.037  -9.061
  871    HG2  GLU 111           HG2      GLU 111  -4.135 -13.759  -9.784
  872    HG3  GLU 111           HG3      GLU 111  -2.997 -14.473 -10.928
  873    H    ASN 112           H        ASN 112  -1.795 -18.196  -8.629
  874    HA   ASN 112           HA       ASN 112  -3.451 -19.379  -6.582
  875    HB2  ASN 112           HB2      ASN 112  -0.931 -20.317  -8.017
  876    HB3  ASN 112           HB3      ASN 112  -1.667 -21.246  -6.723
  877   HD21  ASN 112          HD22      ASN 112  -1.380 -22.102  -9.513
  878   HD22  ASN 112          HD21      ASN 112  -3.009 -22.369 -10.101
  879    H    CYS 113           H        CYS 113  -0.165 -17.958  -6.572
  880    HA   CYS 113           HA       CYS 113   0.446 -18.771  -3.877
  881    HB2  CYS 113           HB2      CYS 113   1.460 -16.341  -5.436
  882    HB3  CYS 113           HB3      CYS 113   2.171 -17.024  -3.965
  883    HG   CYS 113           HG       CYS 113   1.816 -18.304  -6.998
  884    H    GLU 114           H        GLU 114  -0.963 -15.754  -5.280
  885    HA   GLU 114           HA       GLU 114  -1.344 -14.287  -2.919
  886    HB2  GLU 114           HB2      GLU 114  -1.573 -13.452  -5.242
  887    HB3  GLU 114           HB3      GLU 114  -3.045 -14.401  -5.444
  888    HG2  GLU 114           HG2      GLU 114  -4.083 -13.087  -3.564
  889    HG3  GLU 114           HG3      GLU 114  -2.637 -12.075  -3.528
  890    H    HIS 115           H        HIS 115  -3.473 -16.672  -4.519
  891    HA   HIS 115           HA       HIS 115  -5.719 -16.520  -2.835
  892    HB2  HIS 115           HB2      HIS 115  -5.612 -17.620  -5.036
  893    HB3  HIS 115           HB3      HIS 115  -4.536 -18.854  -4.403
  894    HD2  HIS 115           HD2      HIS 115  -7.833 -18.709  -5.525
  895    HE1  HIS 115           HE1      HIS 115  -8.230 -21.292  -2.160
  896    HE2  HIS 115           HE2      HIS 115  -9.355 -20.466  -4.290
  897    H    PHE 116           H        PHE 116  -2.959 -18.863  -2.699
  898    HA   PHE 116           HA       PHE 116  -3.831 -20.138  -0.371
  899    HB2  PHE 116           HB2      PHE 116  -2.151 -21.182  -1.717
  900    HB3  PHE 116           HB3      PHE 116  -1.111 -19.767  -1.660
  901    HD1  PHE 116           HD1      PHE 116  -2.206 -22.774   0.225
  902    HD2  PHE 116           HD2      PHE 116   0.317 -19.279   0.253
  903    HE1  PHE 116           HE1      PHE 116  -0.934 -23.694   2.152
  904    HE2  PHE 116           HE2      PHE 116   1.518 -20.142   2.227
  905    HZ   PHE 116           HZ       PHE 116   0.935 -22.393   3.149
  906    H    VAL 117           H        VAL 117  -1.496 -17.388  -0.594
  907    HA   VAL 117           HA       VAL 117  -1.085 -17.415   2.235
  908    HB   VAL 117           HB       VAL 117  -0.076 -15.242   2.053
  909   HG11  VAL 117          HG11      VAL 117   1.712 -15.792   0.482
  910   HG12  VAL 117          HG12      VAL 117   1.242 -17.209   1.433
  911   HG13  VAL 117          HG13      VAL 117   0.728 -17.044  -0.265
  912   HG21  VAL 117          HG21      VAL 117  -0.907 -15.167  -0.869
  913   HG22  VAL 117          HG22      VAL 117  -1.593 -14.144   0.402
  914   HG23  VAL 117          HG23      VAL 117   0.116 -13.998  -0.020
  915    H    ASN 118           H        ASN 118  -3.716 -16.029   0.324
  916    HA   ASN 118           HA       ASN 118  -4.731 -14.468   2.566
  917    HB2  ASN 118           HB2      ASN 118  -5.817 -15.138  -0.174
  918    HB3  ASN 118           HB3      ASN 118  -6.863 -14.502   1.103
  919   HD21  ASN 118          HD22      ASN 118  -3.908 -13.712  -0.778
  920   HD22  ASN 118          HD21      ASN 118  -3.934 -12.004  -0.349
  921    H    GLU 119           H        GLU 119  -5.152 -17.807   1.407
  922    HA   GLU 119           HA       GLU 119  -7.331 -18.440   3.164
  923    HB2  GLU 119           HB2      GLU 119  -5.076 -20.303   2.311
  924    HB3  GLU 119           HB3      GLU 119  -6.583 -20.763   3.082
  925    HG2  GLU 119           HG2      GLU 119  -7.842 -19.864   1.117
  926    HG3  GLU 119           HG3      GLU 119  -6.305 -19.576   0.304
  927    H    LEU 120           H        LEU 120  -3.785 -18.253   3.699
  928    HA   LEU 120           HA       LEU 120  -3.980 -19.190   6.418
  929    HB2  LEU 120           HB2      LEU 120  -1.831 -17.454   5.158
  930    HB3  LEU 120           HB3      LEU 120  -1.693 -18.348   6.676
  931    HG   LEU 120           HG       LEU 120  -2.071 -19.575   3.916
  932   HD11  LEU 120          HD11      LEU 120   0.348 -20.326   4.395
  933   HD12  LEU 120          HD12      LEU 120   0.100 -18.612   4.011
  934   HD13  LEU 120          HD13      LEU 120   0.343 -19.133   5.690
  935   HD21  LEU 120          HD21      LEU 120  -1.470 -21.700   5.024
  936   HD22  LEU 120          HD22      LEU 120  -1.511 -20.886   6.611
  937   HD23  LEU 120          HD23      LEU 120  -2.991 -21.057   5.638
  938    H    ARG 121           H        ARG 121  -3.622 -15.935   4.955
  939    HA   ARG 121           HA       ARG 121  -3.577 -14.514   7.388
  940    HB2  ARG 121           HB2      ARG 121  -2.751 -13.692   5.214
  941    HB3  ARG 121           HB3      ARG 121  -4.395 -13.663   4.576
  942    HG2  ARG 121           HG2      ARG 121  -3.766 -11.417   5.044
  943    HG3  ARG 121           HG3      ARG 121  -4.984 -11.875   6.202
  944    HD2  ARG 121           HD2      ARG 121  -2.538 -12.529   7.475
  945    HD3  ARG 121           HD3      ARG 121  -2.185 -11.037   6.607
  946    HE   ARG 121           HE       ARG 121  -4.698 -10.784   7.945
  947   HH11  ARG 121          HH21      ARG 121  -1.298 -11.124   8.906
  948   HH12  ARG 121          HH22      ARG 121  -1.493 -10.181  10.351
  949   HH21  ARG 121          HH11      ARG 121  -5.011  -9.875   9.913
  950   HH22  ARG 121          HH12      ARG 121  -3.695  -9.450  10.964
  951    H    TYR 122           H        TYR 122  -6.352 -15.693   5.556
  952    HA   TYR 122           HA       TYR 122  -8.129 -14.300   7.516
  953    HB2  TYR 122           HB2      TYR 122  -7.656 -13.190   5.182
  954    HB3  TYR 122           HB3      TYR 122  -8.688 -14.446   4.534
  955    HD1  TYR 122           HD1      TYR 122  -8.499 -11.484   6.771
  956    HD2  TYR 122           HD2      TYR 122 -11.115 -14.273   4.775
  957    HE1  TYR 122           HE1      TYR 122 -10.439 -10.013   7.261
  958    HE2  TYR 122           HE2      TYR 122 -13.056 -12.822   5.271
  959    HH   TYR 122           HH       TYR 122 -13.787 -10.840   6.257
  960    H    GLY 123           H        GLY 123  -7.354 -17.349   6.455
  961    HA2  GLY 123           HA2      GLY 123  -8.448 -19.255   7.217
  962    HA3  GLY 123           HA3      GLY 123  -9.982 -18.380   7.322
  963    H    VAL 124           H        VAL 124  -9.750 -17.209   4.584
  964    HA   VAL 124           HA       VAL 124  -9.442 -19.395   2.712
  965    HB   VAL 124           HB       VAL 124 -11.702 -19.810   3.613
  966   HG11  VAL 124          HG11      VAL 124 -13.579 -18.318   3.216
  967   HG12  VAL 124          HG12      VAL 124 -12.382 -17.521   4.243
  968   HG13  VAL 124          HG13      VAL 124 -12.506 -17.086   2.525
  969   HG21  VAL 124          HG21      VAL 124 -11.170 -20.403   1.285
  970   HG22  VAL 124          HG22      VAL 124 -12.881 -20.020   1.524
  971   HG23  VAL 124          HG23      VAL 124 -11.817 -18.836   0.743
  972    H    ALA 125           H        ALA 125  -9.107 -18.537   0.590
  973    HA   ALA 125           HA       ALA 125  -8.268 -15.884   0.265
  974    HB1  ALA 125           HB1      ALA 125  -7.651 -17.715  -1.258
  975    HB2  ALA 125           HB2      ALA 125  -9.333 -17.815  -1.833
  976    HB3  ALA 125           HB3      ALA 125  -8.372 -16.357  -2.142
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1  22.233  -4.030   2.099
    2    H2   MET   1           H2       MET   1  22.987  -4.400   3.506
    3    H3   MET   1           H3       MET   1  22.390  -5.592   2.559
    4    HA   MET   1           HA       MET   1  21.003  -5.278   4.456
    5    HB2  MET   1           HB2      MET   1  21.493  -2.910   4.862
    6    HB3  MET   1           HB3      MET   1  20.608  -2.441   3.413
    7    HG2  MET   1           HG2      MET   1  19.272  -2.125   5.456
    8    HG3  MET   1           HG3      MET   1  18.518  -3.263   4.356
    9    HE1  MET   1           HE1      MET   1  20.382  -4.272   8.478
   10    HE2  MET   1           HE2      MET   1  21.395  -3.656   7.157
   11    HE3  MET   1           HE3      MET   1  20.102  -2.639   7.836
   12    H    ARG   2           H        ARG   2  19.700  -3.388   1.670
   13    HA   ARG   2           HA       ARG   2  18.098  -3.700   0.207
   14    HB2  ARG   2           HB2      ARG   2  19.495  -5.540  -0.591
   15    HB3  ARG   2           HB3      ARG   2  18.635  -6.680   0.457
   16    HG2  ARG   2           HG2      ARG   2  16.539  -6.277  -0.738
   17    HG3  ARG   2           HG3      ARG   2  17.309  -5.020  -1.725
   18    HD2  ARG   2           HD2      ARG   2  18.784  -6.720  -2.750
   19    HD3  ARG   2           HD3      ARG   2  18.116  -7.960  -1.682
   20    HE   ARG   2           HE       ARG   2  16.186  -8.074  -2.922
   21   HH11  ARG   2          HH21      ARG   2  18.074  -5.305  -4.137
   22   HH12  ARG   2          HH22      ARG   2  16.978  -4.968  -5.425
   23   HH21  ARG   2          HH11      ARG   2  14.768  -7.622  -4.568
   24   HH22  ARG   2          HH12      ARG   2  15.007  -6.289  -5.662
   25    H    ALA   3           H        ALA   3  17.553  -5.792   3.056
   26    HA   ALA   3           HA       ALA   3  14.639  -5.174   2.859
   27    HB1  ALA   3           HB1      ALA   3  15.031  -7.427   2.032
   28    HB2  ALA   3           HB2      ALA   3  15.981  -7.823   3.481
   29    HB3  ALA   3           HB3      ALA   3  14.237  -7.495   3.617
   30    HA   PRO   4           HA       PRO   4  16.452  -3.989   6.980
   31    HB2  PRO   4           HB2      PRO   4  15.304  -1.494   7.195
   32    HB3  PRO   4           HB3      PRO   4  16.859  -1.818   6.366
   33    HG2  PRO   4           HG2      PRO   4  14.111  -1.465   5.165
   34    HG3  PRO   4           HG3      PRO   4  15.666  -0.793   4.596
   35    HD2  PRO   4           HD2      PRO   4  14.532  -3.040   3.509
   36    HD3  PRO   4           HD3      PRO   4  16.302  -2.820   3.627
   37    H    ILE   5           H        ILE   5  13.286  -4.357   5.740
   38    HA   ILE   5           HA       ILE   5  11.239  -4.734   6.568
   39    HB   ILE   5           HB       ILE   5  12.470  -5.481   9.228
   40   HG12  ILE   5          HG12      ILE   5  13.705  -6.776   7.609
   41   HG13  ILE   5          HG13      ILE   5  12.592  -7.796   8.487
   42   HG21  ILE   5          HG21      ILE   5   9.916  -6.405   7.846
   43   HG22  ILE   5          HG22      ILE   5  10.512  -6.928   9.431
   44   HG23  ILE   5          HG23      ILE   5  10.006  -5.264   9.198
   45   HD11  ILE   5          HD11      ILE   5  12.693  -8.407   6.116
   46   HD12  ILE   5          HD12      ILE   5  11.063  -7.869   6.535
   47   HD13  ILE   5          HD13      ILE   5  12.160  -6.789   5.641
   48    HA   PRO   6           HA       PRO   6  11.538  -0.528   8.491
   49    HB2  PRO   6           HB2      PRO   6  10.202   0.956   6.635
   50    HB3  PRO   6           HB3      PRO   6  11.904   0.445   6.418
   51    HG2  PRO   6           HG2      PRO   6   9.409  -0.867   5.293
   52    HG3  PRO   6           HG3      PRO   6  10.919  -0.439   4.430
   53    HD2  PRO   6           HD2      PRO   6  10.435  -2.957   5.396
   54    HD3  PRO   6           HD3      PRO   6  12.075  -2.258   5.355
   55    H    GLU   7           H        GLU   7   8.807  -2.405   7.341
   56    HA   GLU   7           HA       GLU   7   6.986  -1.176   9.310
   57    HB2  GLU   7           HB2      GLU   7   6.393  -1.509   6.344
   58    HB3  GLU   7           HB3      GLU   7   5.195  -1.117   7.577
   59    HG2  GLU   7           HG2      GLU   7   6.485   0.958   8.132
   60    HG3  GLU   7           HG3      GLU   7   7.581   0.603   6.792
   61    HA   PRO   8           HA       PRO   8   5.194  -5.442   7.885
   62    HB2  PRO   8           HB2      PRO   8   7.693  -7.058   7.575
   63    HB3  PRO   8           HB3      PRO   8   6.166  -7.143   6.657
   64    HG2  PRO   8           HG2      PRO   8   8.452  -5.983   5.644
   65    HG3  PRO   8           HG3      PRO   8   6.824  -5.378   5.242
   66    HD2  PRO   8           HD2      PRO   8   8.807  -4.249   7.179
   67    HD3  PRO   8           HD3      PRO   8   7.633  -3.406   6.128
   68    H    LYS   9           H        LYS   9   4.711  -7.136   9.370
   69    HA   LYS   9           HA       LYS   9   6.679  -7.819  11.460
   70    HB2  LYS   9           HB2      LYS   9   4.850  -7.812  13.175
   71    HB3  LYS   9           HB3      LYS   9   5.448  -6.237  12.688
   72    HG2  LYS   9           HG2      LYS   9   2.981  -7.271  11.288
   73    HG3  LYS   9           HG3      LYS   9   2.836  -6.794  12.979
   74    HD2  LYS   9           HD2      LYS   9   3.729  -4.576  12.526
   75    HD3  LYS   9           HD3      LYS   9   3.990  -4.965  10.828
   76    HE2  LYS   9           HE2      LYS   9   1.257  -4.966  12.187
   77    HE3  LYS   9           HE3      LYS   9   1.953  -3.591  11.322
   78    HZ1  LYS   9           HZ1      LYS   9   0.604  -4.710   9.779
   79    HZ2  LYS   9           HZ2      LYS   9   2.141  -5.166   9.364
   80    HZ3  LYS   9           HZ3      LYS   9   1.209  -6.200  10.121
   81    HA   PRO  10           HA       PRO  10   5.512 -11.926  10.398
   82    HB2  PRO  10           HB2      PRO  10   5.282 -12.411  13.379
   83    HB3  PRO  10           HB3      PRO  10   6.040 -13.448  12.126
   84    HG2  PRO  10           HG2      PRO  10   7.596 -11.851  13.662
   85    HG3  PRO  10           HG3      PRO  10   7.885 -11.918  11.895
   86    HD2  PRO  10           HD2      PRO  10   6.396  -9.807  13.469
   87    HD3  PRO  10           HD3      PRO  10   7.577  -9.618  12.136
   88    H    GLY  11           H        GLY  11   3.634 -12.950   9.853
   89    HA2  GLY  11           HA2      GLY  11   1.326 -13.528  10.072
   90    HA3  GLY  11           HA3      GLY  11   1.060 -12.110  11.101
   91    H    ASP  12           H        ASP  12   3.008 -10.656   8.950
   92    HA   ASP  12           HA       ASP  12   0.789  -9.622   7.411
   93    HB2  ASP  12           HB2      ASP  12   3.770  -9.043   7.497
   94    HB3  ASP  12           HB3      ASP  12   2.719  -8.334   6.293
   95    H    LEU  13           H        LEU  13   0.395  -9.746   5.264
   96    HA   LEU  13           HA       LEU  13   1.562 -11.934   3.665
   97    HB2  LEU  13           HB2      LEU  13  -0.276  -9.617   2.877
   98    HB3  LEU  13           HB3      LEU  13   0.287 -10.910   1.826
   99    HG   LEU  13           HG       LEU  13  -1.774 -11.102   4.016
  100   HD11  LEU  13          HD11      LEU  13  -2.443 -10.353   1.763
  101   HD12  LEU  13          HD12      LEU  13  -1.798 -11.854   1.078
  102   HD13  LEU  13          HD13      LEU  13  -3.166 -11.906   2.222
  103   HD21  LEU  13          HD21      LEU  13  -1.794 -13.595   3.359
  104   HD22  LEU  13          HD22      LEU  13  -0.199 -13.298   2.641
  105   HD23  LEU  13          HD23      LEU  13  -0.447 -13.075   4.386
  106    H    ILE  14           H        ILE  14   3.096 -11.628   2.088
  107    HA   ILE  14           HA       ILE  14   4.192  -8.891   1.655
  108    HB   ILE  14           HB       ILE  14   5.687 -11.547   1.727
  109   HG12  ILE  14          HG12      ILE  14   5.108 -10.983   4.019
  110   HG13  ILE  14          HG13      ILE  14   6.831 -10.847   3.732
  111   HG21  ILE  14          HG21      ILE  14   7.726 -10.074   1.601
  112   HG22  ILE  14          HG22      ILE  14   6.708 -10.041   0.155
  113   HG23  ILE  14          HG23      ILE  14   6.634  -8.696   1.302
  114   HD11  ILE  14          HD11      ILE  14   6.657  -8.374   3.657
  115   HD12  ILE  14          HD12      ILE  14   4.900  -8.492   3.910
  116   HD13  ILE  14          HD13      ILE  14   6.015  -9.037   5.168
  117    H    GLU  15           H        GLU  15   4.190  -8.357  -0.497
  118    HA   GLU  15           HA       GLU  15   3.787 -10.564  -2.448
  119    HB2  GLU  15           HB2      GLU  15   2.838  -9.197  -3.992
  120    HB3  GLU  15           HB3      GLU  15   1.991  -8.804  -2.503
  121    HG2  GLU  15           HG2      GLU  15   3.258  -6.708  -2.291
  122    HG3  GLU  15           HG3      GLU  15   4.246  -7.122  -3.698
  123    H    ILE  16           H        ILE  16   5.205 -10.597  -4.121
  124    HA   ILE  16           HA       ILE  16   7.901  -9.424  -3.651
  125    HB   ILE  16           HB       ILE  16   6.910 -12.166  -4.524
  126   HG12  ILE  16          HG12      ILE  16   6.604 -11.913  -2.113
  127   HG13  ILE  16          HG13      ILE  16   7.743 -13.168  -2.550
  128   HG21  ILE  16          HG21      ILE  16   8.943 -11.702  -5.720
  129   HG22  ILE  16          HG22      ILE  16   9.772 -11.184  -4.242
  130   HG23  ILE  16          HG23      ILE  16   9.302 -12.886  -4.466
  131   HD11  ILE  16          HD11      ILE  16   8.460 -10.398  -1.555
  132   HD12  ILE  16          HD12      ILE  16   8.542 -11.907  -0.624
  133   HD13  ILE  16          HD13      ILE  16   9.635 -11.651  -1.999
  134    H    PHE  17           H        PHE  17   8.118  -7.968  -5.379
  135    HA   PHE  17           HA       PHE  17   6.559  -8.352  -7.843
  136    HB2  PHE  17           HB2      PHE  17   8.197  -6.215  -6.686
  137    HB3  PHE  17           HB3      PHE  17   8.588  -6.495  -8.376
  138    HD1  PHE  17           HD2      PHE  17   6.739  -6.503 -10.120
  139    HD2  PHE  17           HD1      PHE  17   6.122  -5.098  -6.080
  140    HE1  PHE  17           HE2      PHE  17   4.689  -5.312 -10.844
  141    HE2  PHE  17           HE1      PHE  17   4.073  -3.904  -6.822
  142    HZ   PHE  17           HZ       PHE  17   3.354  -4.008  -9.197
  143    H    ARG  18           H        ARG  18   7.324  -9.162  -9.777
  144    HA   ARG  18           HA       ARG  18  10.021 -10.423  -9.791
  145    HB2  ARG  18           HB2      ARG  18   7.278 -11.456 -10.666
  146    HB3  ARG  18           HB3      ARG  18   8.771 -12.237 -11.126
  147    HG2  ARG  18           HG2      ARG  18   8.847 -11.833  -8.260
  148    HG3  ARG  18           HG3      ARG  18   7.275 -12.502  -8.662
  149    HD2  ARG  18           HD2      ARG  18   8.165 -14.478  -9.485
  150    HD3  ARG  18           HD3      ARG  18   9.726 -13.752  -9.898
  151    HE   ARG  18           HE       ARG  18  10.207 -13.593  -7.461
  152   HH11  ARG  18          HH21      ARG  18   8.051 -16.196  -8.583
  153   HH12  ARG  18          HH22      ARG  18   8.384 -17.201  -7.222
  154   HH21  ARG  18          HH11      ARG  18  10.728 -14.903  -5.822
  155   HH22  ARG  18          HH12      ARG  18  10.006 -16.470  -5.614
  156    HA   PRO  19           HA       PRO  19  11.139  -8.449 -13.331
  157    HB2  PRO  19           HB2      PRO  19  10.854 -10.911 -15.072
  158    HB3  PRO  19           HB3      PRO  19  12.191  -9.713 -15.037
  159    HG2  PRO  19           HG2      PRO  19  12.458 -12.029 -13.678
  160    HG3  PRO  19           HG3      PRO  19  12.924 -10.488 -12.886
  161    HD2  PRO  19           HD2      PRO  19  10.404 -12.103 -12.536
  162    HD3  PRO  19           HD3      PRO  19  11.390 -11.275 -11.298
  163    H    PHE  20           H        PHE  20   8.135 -10.201 -14.040
  164    HA   PHE  20           HA       PHE  20   7.168  -7.816 -15.484
  165    HB2  PHE  20           HB2      PHE  20   8.200  -9.518 -17.112
  166    HB3  PHE  20           HB3      PHE  20   6.892 -10.604 -16.677
  167    HD1  PHE  20           HD1      PHE  20   7.485  -7.065 -17.864
  168    HD2  PHE  20           HD2      PHE  20   4.971 -10.568 -18.079
  169    HE1  PHE  20           HE1      PHE  20   6.118  -5.981 -19.630
  170    HE2  PHE  20           HE2      PHE  20   3.614  -9.481 -19.848
  171    HZ   PHE  20           HZ       PHE  20   4.180  -7.185 -20.625
  172    H    TYR  21           H        TYR  21   6.622  -9.383 -12.821
  173    HA   TYR  21           HA       TYR  21   3.740  -9.428 -12.875
  174    HB2  TYR  21           HB2      TYR  21   3.417 -11.809 -12.517
  175    HB3  TYR  21           HB3      TYR  21   4.128 -11.525 -14.075
  176    HD1  TYR  21           HD2      TYR  21   6.599 -12.041 -14.462
  177    HD2  TYR  21           HD1      TYR  21   4.526 -13.181 -10.871
  178    HE1  TYR  21           HE2      TYR  21   8.295 -13.795 -14.051
  179    HE2  TYR  21           HE1      TYR  21   6.150 -14.987 -10.482
  180    HH   TYR  21           HH       TYR  21   8.948 -15.571 -12.675
  181    H    ARG  22           H        ARG  22   3.415 -11.171 -10.583
  182    HA   ARG  22           HA       ARG  22   5.413 -10.376  -8.638
  183    HB2  ARG  22           HB2      ARG  22   3.830  -9.382  -7.030
  184    HB3  ARG  22           HB3      ARG  22   4.025  -8.428  -8.489
  185    HG2  ARG  22           HG2      ARG  22   1.791  -8.236  -8.241
  186    HG3  ARG  22           HG3      ARG  22   1.782  -9.683  -9.247
  187    HD2  ARG  22           HD2      ARG  22   1.578 -11.096  -7.215
  188    HD3  ARG  22           HD3      ARG  22   1.691  -9.662  -6.190
  189    HE   ARG  22           HE       ARG  22  -0.644 -10.588  -7.686
  190   HH11  ARG  22          HH21      ARG  22   0.794  -7.599  -6.255
  191   HH12  ARG  22          HH22      ARG  22  -0.749  -6.858  -6.085
  192   HH21  ARG  22          HH11      ARG  22  -2.603  -9.766  -6.775
  193   HH22  ARG  22          HH12      ARG  22  -2.721  -8.056  -6.535
  194    H    HIS  23           H        HIS  23   5.115 -11.484  -6.608
  195    HA   HIS  23           HA       HIS  23   3.687 -14.076  -6.790
  196    HB2  HIS  23           HB2      HIS  23   6.015 -14.403  -7.485
  197    HB3  HIS  23           HB3      HIS  23   6.619 -13.454  -6.134
  198    HD2  HIS  23           HD2      HIS  23   7.750 -14.975  -4.412
  199    HE1  HIS  23           HE1      HIS  23   5.136 -18.325  -4.537
  200    HE2  HIS  23           HE2      HIS  23   7.214 -17.352  -3.442
  201    H    TRP  24           H        TRP  24   3.881 -15.078  -4.365
  202    HA   TRP  24           HA       TRP  24   3.478 -12.876  -2.411
  203    HB2  TRP  24           HB2      TRP  24   1.433 -14.985  -3.154
  204    HB3  TRP  24           HB3      TRP  24   1.423 -14.120  -1.636
  205    HD1  TRP  24           HD1      TRP  24   0.910 -13.491  -5.381
  206    HE1  TRP  24           HE1      TRP  24  -0.332 -11.285  -5.684
  207    HE3  TRP  24           HE3      TRP  24   0.956 -11.899  -0.558
  208    HZ2  TRP  24           HZ2      TRP  24  -1.344  -9.130  -4.004
  209    HZ3  TRP  24           HZ3      TRP  24  -0.149  -9.734   0.075
  210    HH2  TRP  24           HH2      TRP  24  -1.317  -8.384  -1.627
  211    H    ALA  25           H        ALA  25   3.782 -13.371  -0.340
  212    HA   ALA  25           HA       ALA  25   4.524 -16.057   0.566
  213    HB1  ALA  25           HB1      ALA  25   6.632 -14.995  -0.337
  214    HB2  ALA  25           HB2      ALA  25   6.367 -13.610   0.744
  215    HB3  ALA  25           HB3      ALA  25   6.681 -15.223   1.414
  216    H    ILE  26           H        ILE  26   4.873 -15.869   3.046
  217    HA   ILE  26           HA       ILE  26   3.447 -13.554   4.250
  218    HB   ILE  26           HB       ILE  26   1.952 -15.414   3.853
  219   HG12  ILE  26          HG12      ILE  26   2.401 -15.074   6.823
  220   HG13  ILE  26          HG13      ILE  26   1.614 -13.897   5.749
  221   HG21  ILE  26          HG21      ILE  26   3.378 -17.332   3.879
  222   HG22  ILE  26          HG22      ILE  26   3.675 -17.114   5.637
  223   HG23  ILE  26          HG23      ILE  26   2.089 -17.563   5.016
  224   HD11  ILE  26          HD11      ILE  26   0.075 -15.856   5.025
  225   HD12  ILE  26          HD12      ILE  26   0.646 -16.663   6.491
  226   HD13  ILE  26          HD13      ILE  26  -0.202 -15.098   6.602
  227    H    TYR  27           H        TYR  27   4.358 -12.827   6.090
  228    HA   TYR  27           HA       TYR  27   7.094 -13.703   6.622
  229    HB2  TYR  27           HB2      TYR  27   6.224 -11.339   6.257
  230    HB3  TYR  27           HB3      TYR  27   5.361 -11.476   7.775
  231    HD1  TYR  27           HD1      TYR  27   8.909 -12.705   7.298
  232    HD2  TYR  27           HD2      TYR  27   6.354  -9.485   8.574
  233    HE1  TYR  27           HE1      TYR  27  10.813 -11.670   8.456
  234    HE2  TYR  27           HE2      TYR  27   8.274  -8.442   9.776
  235    HH   TYR  27           HH       TYR  27  11.500  -9.985   9.959
  236    H    VAL  28           H        VAL  28   7.650 -15.043   8.316
  237    HA   VAL  28           HA       VAL  28   5.530 -15.665  10.343
  238    HB   VAL  28           HB       VAL  28   6.191 -18.044  10.115
  239   HG11  VAL  28          HG11      VAL  28   5.209 -16.848   7.504
  240   HG12  VAL  28          HG12      VAL  28   4.971 -18.506   8.083
  241   HG13  VAL  28          HG13      VAL  28   4.208 -17.152   8.936
  242   HG21  VAL  28          HG21      VAL  28   7.659 -17.282   7.573
  243   HG22  VAL  28          HG22      VAL  28   8.484 -17.613   9.110
  244   HG23  VAL  28          HG23      VAL  28   7.523 -18.875   8.342
  245    H    GLY  29           H        GLY  29   8.665 -14.497  10.118
  246    HA2  GLY  29           HA2      GLY  29   9.213 -14.997  12.906
  247    HA3  GLY  29           HA3      GLY  29  10.279 -15.919  11.822
  248    H    ASP  30           H        ASP  30  11.785 -14.253  13.090
  249    HA   ASP  30           HA       ASP  30  11.624 -11.515  12.613
  250    HB2  ASP  30           HB2      ASP  30  13.030 -12.523  14.344
  251    HB3  ASP  30           HB3      ASP  30  14.079 -13.239  13.117
  252    H    GLY  31           H        GLY  31  12.984 -13.974  10.479
  253    HA2  GLY  31           HA2      GLY  31  13.291 -11.924   8.353
  254    HA3  GLY  31           HA3      GLY  31  14.700 -12.893   8.795
  255    H    TYR  32           H        TYR  32  11.653 -14.637   8.992
  256    HA   TYR  32           HA       TYR  32  12.348 -15.987   6.412
  257    HB2  TYR  32           HB2      TYR  32  11.392 -17.140   9.048
  258    HB3  TYR  32           HB3      TYR  32  11.317 -18.016   7.527
  259    HD1  TYR  32           HD2      TYR  32  13.642 -16.466   9.971
  260    HD2  TYR  32           HD1      TYR  32  13.263 -18.976   6.481
  261    HE1  TYR  32           HE2      TYR  32  16.006 -17.178  10.237
  262    HE2  TYR  32           HE1      TYR  32  15.625 -19.689   6.730
  263    HH   TYR  32           HH       TYR  32  17.735 -18.493   9.387
  264    H    VAL  33           H        VAL  33  10.730 -16.887   5.207
  265    HA   VAL  33           HA       VAL  33   7.964 -15.996   5.755
  266    HB   VAL  33           HB       VAL  33   7.752 -15.627   3.269
  267   HG11  VAL  33          HG11      VAL  33   9.499 -13.763   4.882
  268   HG12  VAL  33          HG12      VAL  33   8.848 -13.358   3.273
  269   HG13  VAL  33          HG13      VAL  33   7.747 -13.689   4.601
  270   HG21  VAL  33          HG21      VAL  33   9.744 -15.096   1.943
  271   HG22  VAL  33          HG22      VAL  33  10.796 -15.573   3.292
  272   HG23  VAL  33          HG23      VAL  33   9.785 -16.779   2.483
  273    H    VAL  34           H        VAL  34   6.357 -17.279   4.756
  274    HA   VAL  34           HA       VAL  34   7.188 -19.962   3.754
  275    HB   VAL  34           HB       VAL  34   4.753 -18.956   5.254
  276   HG11  VAL  34          HG11      VAL  34   4.881 -21.512   3.628
  277   HG12  VAL  34          HG12      VAL  34   3.661 -21.155   4.873
  278   HG13  VAL  34          HG13      VAL  34   3.742 -20.149   3.428
  279   HG21  VAL  34          HG21      VAL  34   6.564 -21.342   5.661
  280   HG22  VAL  34          HG22      VAL  34   6.652 -19.803   6.534
  281   HG23  VAL  34          HG23      VAL  34   5.227 -20.841   6.724
  282    H    HIS  35           H        HIS  35   6.439 -20.470   1.654
  283    HA   HIS  35           HA       HIS  35   4.485 -18.823   0.321
  284    HB2  HIS  35           HB2      HIS  35   5.809 -17.838  -1.377
  285    HB3  HIS  35           HB3      HIS  35   6.492 -17.348   0.156
  286    HD2  HIS  35           HD2      HIS  35   8.335 -20.231   0.366
  287    HE1  HIS  35           HE1      HIS  35  10.377 -18.301  -2.829
  288    HE2  HIS  35           HE2      HIS  35  10.568 -20.073  -1.058
  289    H    LEU  36           H        LEU  36   4.461 -19.506  -2.157
  290    HA   LEU  36           HA       LEU  36   4.711 -22.449  -2.270
  291    HB2  LEU  36           HB2      LEU  36   3.529 -20.364  -4.140
  292    HB3  LEU  36           HB3      LEU  36   3.911 -21.980  -4.697
  293    HG   LEU  36           HG       LEU  36   1.563 -21.830  -4.246
  294   HD11  LEU  36          HD11      LEU  36   1.235 -23.739  -2.804
  295   HD12  LEU  36          HD12      LEU  36   2.694 -24.010  -3.769
  296   HD13  LEU  36          HD13      LEU  36   2.827 -23.541  -2.062
  297   HD21  LEU  36          HD21      LEU  36   2.205 -21.248  -1.338
  298   HD22  LEU  36          HD22      LEU  36   1.653 -20.040  -2.529
  299   HD23  LEU  36          HD23      LEU  36   0.624 -21.424  -2.121
  300    H    ALA  37           H        ALA  37   6.232 -23.468  -3.496
  301    HA   ALA  37           HA       ALA  37   8.109 -21.963  -5.229
  302    HB1  ALA  37           HB1      ALA  37   9.215 -22.189  -2.991
  303    HB2  ALA  37           HB2      ALA  37   8.865 -23.934  -3.019
  304    HB3  ALA  37           HB3      ALA  37  10.004 -23.244  -4.181
  305    HA   PRO  38           HA       PRO  38   7.186 -25.653  -7.595
  306    HB2  PRO  38           HB2      PRO  38   9.430 -26.138  -9.097
  307    HB3  PRO  38           HB3      PRO  38   8.286 -24.798  -9.407
  308    HG2  PRO  38           HG2      PRO  38  10.921 -24.708  -7.929
  309    HG3  PRO  38           HG3      PRO  38  10.304 -23.563  -9.157
  310    HD2  PRO  38           HD2      PRO  38  10.144 -23.089  -6.458
  311    HD3  PRO  38           HD3      PRO  38   8.888 -22.517  -7.595
  312    HA   PRO  39           HA       PRO  39   8.819 -29.045  -5.144
  313    HB2  PRO  39           HB2      PRO  39   8.447 -31.229  -6.798
  314    HB3  PRO  39           HB3      PRO  39   7.132 -30.445  -5.889
  315    HG2  PRO  39           HG2      PRO  39   7.937 -30.026  -8.759
  316    HG3  PRO  39           HG3      PRO  39   6.286 -30.239  -8.098
  317    HD2  PRO  39           HD2      PRO  39   7.288 -27.775  -8.704
  318    HD3  PRO  39           HD3      PRO  39   6.242 -28.023  -7.272
  319    H    SER  40           H        SER  40   9.904 -28.465  -8.472
  320    HA   SER  40           HA       SER  40  11.888 -30.196  -8.913
  321    HB2  SER  40           HB2      SER  40  12.164 -27.278  -9.669
  322    HB3  SER  40           HB3      SER  40  12.521 -28.716 -10.641
  323    HG   SER  40           HG       SER  40  10.577 -27.751 -11.316
  324    H    GLU  41           H        GLU  41  12.105 -27.585  -6.569
  325    HA   GLU  41           HA       GLU  41  15.017 -27.631  -6.518
  326    HB2  GLU  41           HB2      GLU  41  12.986 -26.246  -4.706
  327    HB3  GLU  41           HB3      GLU  41  14.730 -25.937  -4.688
  328    HG2  GLU  41           HG2      GLU  41  14.615 -25.126  -7.026
  329    HG3  GLU  41           HG3      GLU  41  12.864 -25.346  -7.014
  330    H    VAL  42           H        VAL  42  12.982 -29.783  -5.537
  331    HA   VAL  42           HA       VAL  42  14.499 -30.602  -3.103
  332    HB   VAL  42           HB       VAL  42  11.468 -30.646  -3.210
  333   HG11  VAL  42          HG11      VAL  42  11.652 -30.915  -0.765
  334   HG12  VAL  42          HG12      VAL  42  12.525 -32.198  -1.604
  335   HG13  VAL  42          HG13      VAL  42  13.425 -30.849  -0.880
  336   HG21  VAL  42          HG21      VAL  42  11.990 -28.269  -3.242
  337   HG22  VAL  42          HG22      VAL  42  11.486 -28.707  -1.612
  338   HG23  VAL  42          HG23      VAL  42  13.210 -28.476  -1.958
  339    H    ALA  43           H        ALA  43  11.869 -31.613  -5.357
  340    HA   ALA  43           HA       ALA  43  12.976 -34.328  -5.514
  341    HB1  ALA  43           HB1      ALA  43  10.277 -33.751  -4.198
  342    HB2  ALA  43           HB2      ALA  43  10.943 -35.362  -4.537
  343    HB3  ALA  43           HB3      ALA  43  11.735 -34.318  -3.351
  344    H    GLY  44           H        GLY  44  11.383 -35.776  -6.762
  345    HA2  GLY  44           HA2      GLY  44   9.224 -34.719  -8.244
  346    HA3  GLY  44           HA3      GLY  44  10.649 -34.847  -9.298
  347    H    ALA  45           H        ALA  45   8.535 -36.447  -9.928
  348    HA   ALA  45           HA       ALA  45   8.486 -39.002  -8.644
  349    HB1  ALA  45           HB1      ALA  45   7.688 -38.218 -11.485
  350    HB2  ALA  45           HB2      ALA  45   7.216 -39.704 -10.637
  351    HB3  ALA  45           HB3      ALA  45   6.642 -38.135 -10.045
  352    H    GLY  46           H        GLY  46  10.684 -37.613 -10.992
  353    HA2  GLY  46           HA2      GLY  46  12.666 -39.574 -10.835
  354    HA3  GLY  46           HA3      GLY  46  11.690 -39.917 -12.282
  355    H    ALA  47           H        ALA  47  13.998 -39.290 -13.157
  356    HA   ALA  47           HA       ALA  47  14.650 -36.490 -13.429
  357    HB1  ALA  47           HB1      ALA  47  16.313 -38.245 -13.874
  358    HB2  ALA  47           HB2      ALA  47  15.317 -38.886 -15.203
  359    HB3  ALA  47           HB3      ALA  47  16.035 -37.266 -15.329
  360    H    ALA  48           H        ALA  48  13.236 -35.073 -14.306
  361    HA   ALA  48           HA       ALA  48  11.005 -35.808 -15.938
  362    HB1  ALA  48           HB1      ALA  48  12.303 -33.073 -15.524
  363    HB2  ALA  48           HB2      ALA  48  10.672 -33.389 -16.145
  364    HB3  ALA  48           HB3      ALA  48  11.064 -33.801 -14.469
  365    H    SER  49           H        SER  49  10.607 -35.264 -18.186
  366    HA   SER  49           HA       SER  49  12.733 -35.749 -20.037
  367    HB2  SER  49           HB2      SER  49  10.864 -34.886 -21.635
  368    HB3  SER  49           HB3      SER  49  10.581 -36.375 -20.718
  369    HG   SER  49           HG       SER  49   8.793 -34.961 -20.609
  370    H    VAL  50           H        VAL  50  10.961 -32.840 -18.992
  371    HA   VAL  50           HA       VAL  50  13.312 -31.140 -19.372
  372    HB   VAL  50           HB       VAL  50  11.839 -29.338 -20.353
  373   HG11  VAL  50          HG11      VAL  50  13.462 -30.600 -21.748
  374   HG12  VAL  50          HG12      VAL  50  12.166 -31.730 -22.204
  375   HG13  VAL  50          HG13      VAL  50  12.060 -30.020 -22.660
  376   HG21  VAL  50          HG21      VAL  50   9.602 -30.337 -19.876
  377   HG22  VAL  50          HG22      VAL  50   9.807 -29.903 -21.576
  378   HG23  VAL  50          HG23      VAL  50   9.921 -31.601 -21.078
  379    H    MET  51           H        MET  51  13.170 -29.315 -17.869
  380    HA   MET  51           HA       MET  51  11.974 -29.984 -15.428
  381    HB2  MET  51           HB2      MET  51  12.633 -27.801 -14.631
  382    HB3  MET  51           HB3      MET  51  13.907 -28.484 -15.641
  383    HG2  MET  51           HG2      MET  51  13.126 -27.058 -17.543
  384    HG3  MET  51           HG3      MET  51  11.892 -26.358 -16.488
  385    HE1  MET  51           HE1      MET  51  14.361 -23.380 -16.995
  386    HE2  MET  51           HE2      MET  51  13.916 -24.622 -18.185
  387    HE3  MET  51           HE3      MET  51  12.678 -23.937 -17.107
  388    H    SER  52           H        SER  52  10.516 -28.203 -18.123
  389    HA   SER  52           HA       SER  52   8.406 -26.938 -16.867
  390    HB2  SER  52           HB2      SER  52   8.176 -28.420 -19.500
  391    HB3  SER  52           HB3      SER  52   7.414 -26.892 -19.023
  392    HG   SER  52           HG       SER  52   9.206 -26.537 -20.392
  393    H    ALA  53           H        ALA  53   8.806 -30.446 -17.438
  394    HA   ALA  53           HA       ALA  53   6.015 -31.099 -17.002
  395    HB1  ALA  53           HB1      ALA  53   6.837 -33.413 -16.991
  396    HB2  ALA  53           HB2      ALA  53   7.554 -32.516 -18.342
  397    HB3  ALA  53           HB3      ALA  53   8.513 -32.844 -16.880
  398    H    LEU  54           H        LEU  54   8.401 -30.013 -14.861
  399    HA   LEU  54           HA       LEU  54   7.115 -31.342 -12.519
  400    HB2  LEU  54           HB2      LEU  54   9.350 -32.261 -13.114
  401    HB3  LEU  54           HB3      LEU  54  10.040 -30.644 -12.968
  402    HG   LEU  54           HG       LEU  54   9.533 -30.622 -10.546
  403   HD11  LEU  54          HD11      LEU  54   8.476 -33.452 -10.976
  404   HD12  LEU  54          HD12      LEU  54   8.793 -32.682  -9.401
  405   HD13  LEU  54          HD13      LEU  54   7.529 -32.042 -10.444
  406   HD21  LEU  54          HD21      LEU  54  10.999 -33.128 -11.466
  407   HD22  LEU  54          HD22      LEU  54  11.684 -31.490 -11.359
  408   HD23  LEU  54          HD23      LEU  54  11.171 -32.327  -9.888
  409    H    THR  55           H        THR  55   8.000 -28.332 -14.037
  410    HA   THR  55           HA       THR  55   7.915 -26.895 -11.466
  411    HB   THR  55           HB       THR  55   8.968 -25.972 -14.158
  412    HG1  THR  55           HG1      THR  55  10.172 -27.712 -13.651
  413   HG21  THR  55          HG21      THR  55   9.755 -25.042 -11.358
  414   HG22  THR  55          HG22      THR  55  10.422 -24.440 -12.887
  415   HG23  THR  55          HG23      THR  55   8.731 -24.124 -12.486
  416    H    ASP  56           H        ASP  56   5.933 -27.903 -13.558
  417    HA   ASP  56           HA       ASP  56   4.229 -25.552 -13.771
  418    HB2  ASP  56           HB2      ASP  56   2.815 -26.772 -15.248
  419    HB3  ASP  56           HB3      ASP  56   4.463 -27.088 -15.764
  420    H    LYS  57           H        LYS  57   5.008 -26.980 -11.358
  421    HA   LYS  57           HA       LYS  57   2.432 -27.590 -10.001
  422    HB2  LYS  57           HB2      LYS  57   5.052 -29.151  -9.966
  423    HB3  LYS  57           HB3      LYS  57   3.790 -29.379  -8.752
  424    HG2  LYS  57           HG2      LYS  57   2.255 -30.235 -10.253
  425    HG3  LYS  57           HG3      LYS  57   3.119 -29.638 -11.682
  426    HD2  LYS  57           HD2      LYS  57   5.040 -31.169 -11.125
  427    HD3  LYS  57           HD3      LYS  57   4.040 -31.870  -9.840
  428    HE2  LYS  57           HE2      LYS  57   3.691 -33.362 -11.620
  429    HE3  LYS  57           HE3      LYS  57   2.278 -32.305 -11.695
  430    HZ1  LYS  57           HZ1      LYS  57   3.093 -32.496 -13.883
  431    HZ2  LYS  57           HZ2      LYS  57   3.640 -31.010 -13.429
  432    HZ3  LYS  57           HZ3      LYS  57   4.654 -32.268 -13.472
  433    H    ALA  58           H        ALA  58   2.928 -27.590  -7.542
  434    HA   ALA  58           HA       ALA  58   5.256 -25.977  -6.759
  435    HB1  ALA  58           HB1      ALA  58   2.466 -24.845  -6.271
  436    HB2  ALA  58           HB2      ALA  58   4.018 -24.150  -5.754
  437    HB3  ALA  58           HB3      ALA  58   3.607 -24.237  -7.472
  438    H    ILE  59           H        ILE  59   5.305 -25.597  -4.379
  439    HA   ILE  59           HA       ILE  59   3.765 -27.469  -2.739
  440    HB   ILE  59           HB       ILE  59   5.705 -28.512  -1.808
  441   HG12  ILE  59          HG12      ILE  59   7.549 -26.988  -3.673
  442   HG13  ILE  59          HG13      ILE  59   7.292 -26.584  -1.966
  443   HG21  ILE  59          HG21      ILE  59   4.808 -29.518  -3.927
  444   HG22  ILE  59          HG22      ILE  59   6.125 -28.714  -4.795
  445   HG23  ILE  59          HG23      ILE  59   6.460 -29.954  -3.566
  446   HD11  ILE  59          HD11      ILE  59   7.974 -28.879  -1.324
  447   HD12  ILE  59          HD12      ILE  59   8.410 -29.196  -3.011
  448   HD13  ILE  59          HD13      ILE  59   9.264 -27.927  -2.109
  449    H    VAL  60           H        VAL  60   4.041 -26.866  -0.419
  450    HA   VAL  60           HA       VAL  60   4.455 -23.937  -0.174
  451    HB   VAL  60           HB       VAL  60   3.539 -25.963   1.893
  452   HG11  VAL  60          HG11      VAL  60   4.423 -23.820   2.839
  453   HG12  VAL  60          HG12      VAL  60   3.292 -22.915   1.816
  454   HG13  VAL  60          HG13      VAL  60   2.685 -23.982   3.103
  455   HG21  VAL  60          HG21      VAL  60   1.826 -24.124   0.155
  456   HG22  VAL  60          HG22      VAL  60   1.880 -25.900   0.053
  457   HG23  VAL  60          HG23      VAL  60   1.245 -25.126   1.501
  458    H    LYS  61           H        LYS  61   6.322 -23.122   0.673
  459    HA   LYS  61           HA       LYS  61   8.345 -24.965   1.859
  460    HB2  LYS  61           HB2      LYS  61   8.499 -24.489  -0.691
  461    HB3  LYS  61           HB3      LYS  61   8.893 -22.828  -0.248
  462    HG2  LYS  61           HG2      LYS  61  10.889 -23.739   1.036
  463    HG3  LYS  61           HG3      LYS  61  10.455 -25.358   0.454
  464    HD2  LYS  61           HD2      LYS  61  10.661 -24.492  -1.907
  465    HD3  LYS  61           HD3      LYS  61  11.212 -22.938  -1.245
  466    HE2  LYS  61           HE2      LYS  61  12.996 -24.492  -0.034
  467    HE3  LYS  61           HE3      LYS  61  12.510 -25.654  -1.289
  468    HZ1  LYS  61           HZ1      LYS  61  13.725 -22.984  -1.703
  469    HZ2  LYS  61           HZ2      LYS  61  14.390 -24.429  -2.053
  470    HZ3  LYS  61           HZ3      LYS  61  13.124 -23.883  -2.947
  471    H    LYS  62           H        LYS  62  10.012 -23.697   3.094
  472    HA   LYS  62           HA       LYS  62   9.132 -20.979   3.910
  473    HB2  LYS  62           HB2      LYS  62   8.472 -22.596   5.651
  474    HB3  LYS  62           HB3      LYS  62  10.110 -23.249   5.704
  475    HG2  LYS  62           HG2      LYS  62  10.982 -21.125   6.561
  476    HG3  LYS  62           HG3      LYS  62   9.385 -20.367   6.406
  477    HD2  LYS  62           HD2      LYS  62   8.435 -21.847   8.068
  478    HD3  LYS  62           HD3      LYS  62   9.913 -22.807   8.168
  479    HE2  LYS  62           HE2      LYS  62   9.794 -19.836   8.862
  480    HE3  LYS  62           HE3      LYS  62   9.482 -21.111  10.040
  481    HZ1  LYS  62           HZ1      LYS  62  12.042 -20.792   8.576
  482    HZ2  LYS  62           HZ2      LYS  62  11.776 -20.402  10.137
  483    HZ3  LYS  62           HZ3      LYS  62  11.711 -21.957   9.675
  484    H    GLU  63           H        GLU  63  10.843 -19.504   3.919
  485    HA   GLU  63           HA       GLU  63  13.616 -20.402   3.608
  486    HB2  GLU  63           HB2      GLU  63  12.064 -19.023   1.358
  487    HB3  GLU  63           HB3      GLU  63  13.827 -19.147   1.434
  488    HG2  GLU  63           HG2      GLU  63  13.575 -21.667   1.523
  489    HG3  GLU  63           HG3      GLU  63  11.856 -21.442   1.166
  490    H    LEU  64           H        LEU  64  15.046 -18.456   3.458
  491    HA   LEU  64           HA       LEU  64  14.270 -16.433   5.352
  492    HB2  LEU  64           HB2      LEU  64  16.624 -17.388   4.890
  493    HB3  LEU  64           HB3      LEU  64  16.609 -16.467   3.388
  494    HG   LEU  64           HG       LEU  64  16.221 -14.369   4.879
  495   HD11  LEU  64          HD11      LEU  64  16.952 -14.526   7.198
  496   HD12  LEU  64          HD12      LEU  64  15.643 -15.692   6.973
  497   HD13  LEU  64          HD13      LEU  64  17.316 -16.257   7.021
  498   HD21  LEU  64          HD21      LEU  64  18.662 -14.233   5.404
  499   HD22  LEU  64          HD22      LEU  64  18.821 -15.961   5.038
  500   HD23  LEU  64          HD23      LEU  64  18.349 -14.821   3.760
  501    H    LEU  65           H        LEU  65  13.420 -14.416   4.959
  502    HA   LEU  65           HA       LEU  65  12.016 -13.844   2.594
  503    HB2  LEU  65           HB2      LEU  65  11.554 -12.866   4.808
  504    HB3  LEU  65           HB3      LEU  65  13.022 -11.910   4.738
  505    HG   LEU  65           HG       LEU  65  10.988 -11.626   2.499
  506   HD11  LEU  65          HD11      LEU  65  10.781 -10.253   5.232
  507   HD12  LEU  65          HD12      LEU  65   9.795  -9.875   3.801
  508   HD13  LEU  65          HD13      LEU  65   9.643 -11.443   4.589
  509   HD21  LEU  65          HD21      LEU  65  11.719  -9.248   2.548
  510   HD22  LEU  65          HD22      LEU  65  12.784  -9.585   3.924
  511   HD23  LEU  65          HD23      LEU  65  13.113 -10.288   2.333
  512    H    TYR  66           H        TYR  66  15.289 -12.816   3.577
  513    HA   TYR  66           HA       TYR  66  15.615 -10.826   1.650
  514    HB2  TYR  66           HB2      TYR  66  17.838 -12.582   2.714
  515    HB3  TYR  66           HB3      TYR  66  17.961 -10.920   2.159
  516    HD1  TYR  66           HD2      TYR  66  15.269 -10.108   3.845
  517    HD2  TYR  66           HD1      TYR  66  19.044 -11.995   4.750
  518    HE1  TYR  66           HE2      TYR  66  15.061  -9.378   6.182
  519    HE2  TYR  66           HE1      TYR  66  18.833 -11.280   7.109
  520    HH   TYR  66           HH       TYR  66  16.022  -9.386   8.311
  521    H    ASP  67           H        ASP  67  15.854 -14.339   1.225
  522    HA   ASP  67           HA       ASP  67  17.260 -14.167  -1.339
  523    HB2  ASP  67           HB2      ASP  67  17.434 -16.192   0.033
  524    HB3  ASP  67           HB3      ASP  67  15.684 -16.426  -0.044
  525    H    VAL  68           H        VAL  68  13.871 -14.615  -0.206
  526    HA   VAL  68           HA       VAL  68  12.735 -14.899  -2.804
  527    HB   VAL  68           HB       VAL  68  11.321 -13.864  -0.294
  528   HG11  VAL  68          HG11      VAL  68   9.361 -14.968  -1.279
  529   HG12  VAL  68          HG12      VAL  68  10.050 -13.858  -2.473
  530   HG13  VAL  68          HG13      VAL  68  10.338 -15.594  -2.625
  531   HG21  VAL  68          HG21      VAL  68  10.779 -16.322   0.107
  532   HG22  VAL  68          HG22      VAL  68  12.035 -16.737  -1.071
  533   HG23  VAL  68          HG23      VAL  68  12.454 -15.889   0.433
  534    H    ALA  69           H        ALA  69  13.307 -12.074  -0.711
  535    HA   ALA  69           HA       ALA  69  12.130 -10.069  -2.328
  536    HB1  ALA  69           HB1      ALA  69  14.462  -9.975  -0.358
  537    HB2  ALA  69           HB2      ALA  69  13.633  -8.554  -1.009
  538    HB3  ALA  69           HB3      ALA  69  12.739  -9.702   0.007
  539    H    GLY  70           H        GLY  70  14.913 -11.992  -3.080
  540    HA2  GLY  70           HA2      GLY  70  16.430 -10.027  -4.551
  541    HA3  GLY  70           HA3      GLY  70  16.542 -11.791  -4.654
  542    H    SER  71           H        SER  71  13.378 -11.510  -5.201
  543    HA   SER  71           HA       SER  71  13.480 -12.161  -7.885
  544    HB2  SER  71           HB2      SER  71  11.170 -10.934  -6.341
  545    HB3  SER  71           HB3      SER  71  11.055 -11.816  -7.872
  546    HG   SER  71           HG       SER  71  11.800 -12.792  -5.300
  547    H    ASP  72           H        ASP  72  12.415  -8.981  -6.610
  548    HA   ASP  72           HA       ASP  72  13.943  -7.505  -8.521
  549    HB2  ASP  72           HB2      ASP  72  11.999  -8.031  -9.998
  550    HB3  ASP  72           HB3      ASP  72  10.920  -7.383  -8.764
  551    H    LYS  73           H        LYS  73  11.084  -7.361  -6.424
  552    HA   LYS  73           HA       LYS  73  12.409  -5.957  -4.347
  553    HB2  LYS  73           HB2      LYS  73  11.264  -3.842  -4.349
  554    HB3  LYS  73           HB3      LYS  73  12.110  -4.025  -5.883
  555    HG2  LYS  73           HG2      LYS  73   9.961  -4.694  -6.971
  556    HG3  LYS  73           HG3      LYS  73   9.110  -4.385  -5.450
  557    HD2  LYS  73           HD2      LYS  73  10.684  -2.330  -7.058
  558    HD3  LYS  73           HD3      LYS  73   8.926  -2.529  -7.078
  559    HE2  LYS  73           HE2      LYS  73   8.838  -2.018  -4.639
  560    HE3  LYS  73           HE3      LYS  73  10.591  -1.778  -4.631
  561    HZ1  LYS  73           HZ1      LYS  73   9.421   0.317  -4.827
  562    HZ2  LYS  73           HZ2      LYS  73  10.283   0.061  -6.183
  563    HZ3  LYS  73           HZ3      LYS  73   8.663  -0.154  -6.188
  564    H    TYR  74           H        TYR  74  10.271  -5.155  -2.766
  565    HA   TYR  74           HA       TYR  74   8.043  -7.004  -3.104
  566    HB2  TYR  74           HB2      TYR  74   8.342  -8.215  -1.084
  567    HB3  TYR  74           HB3      TYR  74   9.808  -8.399  -2.007
  568    HD1  TYR  74           HD1      TYR  74  11.885  -6.994  -1.290
  569    HD2  TYR  74           HD2      TYR  74   8.302  -7.216   1.098
  570    HE1  TYR  74           HE1      TYR  74  13.129  -6.100   0.663
  571    HE2  TYR  74           HE2      TYR  74   9.528  -6.335   3.047
  572    HH   TYR  74           HH       TYR  74  11.532  -5.506   3.831
  573    H    GLN  75           H        GLN  75   6.414  -6.672  -1.319
  574    HA   GLN  75           HA       GLN  75   6.610  -4.167   0.213
  575    HB2  GLN  75           HB2      GLN  75   4.386  -4.693  -1.815
  576    HB3  GLN  75           HB3      GLN  75   4.400  -3.397  -0.621
  577    HG2  GLN  75           HG2      GLN  75   6.417  -2.421  -1.720
  578    HG3  GLN  75           HG3      GLN  75   6.331  -3.680  -2.962
  579   HE21  GLN  75          HE22      GLN  75   4.291  -3.799  -4.293
  580   HE22  GLN  75          HE21      GLN  75   3.420  -2.317  -4.595
  581    H    VAL  76           H        VAL  76   5.136  -4.213   2.024
  582    HA   VAL  76           HA       VAL  76   3.834  -6.806   2.579
  583    HB   VAL  76           HB       VAL  76   4.845  -5.981   4.481
  584   HG11  VAL  76          HG11      VAL  76   3.634  -3.221   4.056
  585   HG12  VAL  76          HG12      VAL  76   4.536  -3.746   5.493
  586   HG13  VAL  76          HG13      VAL  76   5.356  -3.656   3.937
  587   HG21  VAL  76          HG21      VAL  76   3.110  -5.666   6.083
  588   HG22  VAL  76          HG22      VAL  76   1.989  -5.032   4.860
  589   HG23  VAL  76          HG23      VAL  76   2.488  -6.733   4.818
  590    H    ASN  77           H        ASN  77   1.673  -7.123   2.217
  591    HA   ASN  77           HA       ASN  77  -0.074  -4.859   1.499
  592    HB2  ASN  77           HB2      ASN  77   1.113  -5.362  -0.624
  593    HB3  ASN  77           HB3      ASN  77   0.542  -7.027  -0.546
  594   HD21  ASN  77          HD21      ASN  77  -0.131  -5.740  -2.803
  595   HD22  ASN  77          HD22      ASN  77  -1.815  -5.237  -2.783
  596    H    ASN  78           H        ASN  78  -0.879  -5.718   3.559
  597    HA   ASN  78           HA       ASN  78  -2.122  -8.342   3.681
  598    HB2  ASN  78           HB2      ASN  78  -2.550  -5.834   5.362
  599    HB3  ASN  78           HB3      ASN  78  -3.311  -7.401   5.655
  600   HD21  ASN  78          HD22      ASN  78  -1.035  -5.642   7.037
  601   HD22  ASN  78          HD21      ASN  78   0.046  -6.936   7.539
  602    H    LYS  79           H        LYS  79  -3.583  -8.731   2.073
  603    HA   LYS  79           HA       LYS  79  -5.309  -6.824   0.866
  604    HB2  LYS  79           HB2      LYS  79  -5.675  -9.828   1.226
  605    HB3  LYS  79           HB3      LYS  79  -6.619  -8.838   0.131
  606    HG2  LYS  79           HG2      LYS  79  -3.608  -9.322  -0.060
  607    HG3  LYS  79           HG3      LYS  79  -4.831 -10.157  -0.994
  608    HD2  LYS  79           HD2      LYS  79  -4.157  -7.191  -1.142
  609    HD3  LYS  79           HD3      LYS  79  -3.727  -8.421  -2.318
  610    HE2  LYS  79           HE2      LYS  79  -6.558  -7.483  -1.673
  611    HE3  LYS  79           HE3      LYS  79  -5.603  -7.053  -3.092
  612    HZ1  LYS  79           HZ1      LYS  79  -6.641  -9.748  -2.457
  613    HZ2  LYS  79           HZ2      LYS  79  -7.078  -8.787  -3.699
  614    HZ3  LYS  79           HZ3      LYS  79  -5.586  -9.463  -3.676
  615    H    HIS  80           H        HIS  80  -6.983  -5.731   1.761
  616    HA   HIS  80           HA       HIS  80  -8.697  -5.128   3.030
  617    HB2  HIS  80           HB2      HIS  80  -9.597  -7.971   2.557
  618    HB3  HIS  80           HB3      HIS  80 -10.597  -6.559   2.923
  619    HD2  HIS  80           HD2      HIS  80 -10.139  -4.413   0.960
  620    HE1  HIS  80           HE1      HIS  80  -9.911  -7.227  -2.230
  621    HE2  HIS  80           HE2      HIS  80 -10.236  -4.773  -1.639
  622    H    ASP  81           H        ASP  81  -6.555  -5.747   4.652
  623    HA   ASP  81           HA       ASP  81  -7.265  -7.187   7.012
  624    HB2  ASP  81           HB2      ASP  81  -5.022  -6.243   6.427
  625    HB3  ASP  81           HB3      ASP  81  -5.632  -4.625   6.756
  626    H    ASP  82           H        ASP  82  -8.826  -4.578   5.659
  627    HA   ASP  82           HA       ASP  82  -9.771  -3.215   8.117
  628    HB2  ASP  82           HB2      ASP  82  -9.067  -1.807   6.277
  629    HB3  ASP  82           HB3      ASP  82 -10.023  -2.733   5.124
  630    H    LYS  83           H        LYS  83 -10.675  -5.754   5.911
  631    HA   LYS  83           HA       LYS  83 -13.547  -5.587   6.740
  632    HB2  LYS  83           HB2      LYS  83 -12.598  -6.418   3.976
  633    HB3  LYS  83           HB3      LYS  83 -14.238  -6.072   4.520
  634    HG2  LYS  83           HG2      LYS  83 -13.530  -3.688   4.917
  635    HG3  LYS  83           HG3      LYS  83 -11.967  -4.073   4.138
  636    HD2  LYS  83           HD2      LYS  83 -12.936  -4.383   2.026
  637    HD3  LYS  83           HD3      LYS  83 -14.551  -4.660   2.685
  638    HE2  LYS  83           HE2      LYS  83 -14.413  -2.473   1.590
  639    HE3  LYS  83           HE3      LYS  83 -14.828  -2.360   3.302
  640    HZ1  LYS  83           HZ1      LYS  83 -12.109  -1.867   2.234
  641    HZ2  LYS  83           HZ2      LYS  83 -13.190  -0.705   2.595
  642    HZ3  LYS  83           HZ3      LYS  83 -12.604  -1.636   3.796
  643    H    TYR  84           H        TYR  84 -10.728  -7.545   6.409
  644    HA   TYR  84           HA       TYR  84 -12.194 -10.029   7.114
  645    HB2  TYR  84           HB2      TYR  84 -10.285  -9.600   4.775
  646    HB3  TYR  84           HB3      TYR  84 -10.685 -11.188   5.411
  647    HD1  TYR  84           HD2      TYR  84 -13.072 -11.998   5.474
  648    HD2  TYR  84           HD1      TYR  84 -11.788  -8.595   3.168
  649    HE1  TYR  84           HE2      TYR  84 -15.114 -12.181   4.076
  650    HE2  TYR  84           HE1      TYR  84 -13.818  -8.756   1.765
  651    HH   TYR  84           HH       TYR  84 -15.802  -9.916   1.365
  652    H    SER  85           H        SER  85  -9.845 -11.584   6.977
  653    HA   SER  85           HA       SER  85  -8.291 -12.388   8.373
  654    HB2  SER  85           HB2      SER  85  -7.394  -9.554   8.921
  655    HB3  SER  85           HB3      SER  85  -6.476 -11.059   9.099
  656    HG   SER  85           HG       SER  85  -7.527  -9.976   6.677
  657    HA   PRO  86           HA       PRO  86 -10.923 -11.641  12.152
  658    HB2  PRO  86           HB2      PRO  86 -11.187 -14.613  11.881
  659    HB3  PRO  86           HB3      PRO  86 -12.433 -13.412  12.334
  660    HG2  PRO  86           HG2      PRO  86 -12.401 -14.579   9.870
  661    HG3  PRO  86           HG3      PRO  86 -12.824 -12.846  10.070
  662    HD2  PRO  86           HD2      PRO  86 -10.173 -14.046   9.240
  663    HD3  PRO  86           HD3      PRO  86 -11.075 -12.673   8.536
  664    H    LEU  87           H        LEU  87  -8.247 -13.569  11.116
  665    HA   LEU  87           HA       LEU  87  -7.797 -14.899  13.643
  666    HB2  LEU  87           HB2      LEU  87  -6.203 -14.714  11.062
  667    HB3  LEU  87           HB3      LEU  87  -5.830 -15.820  12.393
  668    HG   LEU  87           HG       LEU  87  -8.392 -15.823  10.728
  669   HD11  LEU  87          HD11      LEU  87  -5.964 -17.690  10.726
  670   HD12  LEU  87          HD12      LEU  87  -7.456 -17.937   9.796
  671   HD13  LEU  87          HD13      LEU  87  -6.419 -16.544   9.448
  672   HD21  LEU  87          HD21      LEU  87  -7.423 -17.759  12.893
  673   HD22  LEU  87          HD22      LEU  87  -8.863 -16.715  12.966
  674   HD23  LEU  87          HD23      LEU  87  -8.805 -18.044  11.812
  675    HA   PRO  88           HA       PRO  88  -4.702 -11.863  15.042
  676    HB2  PRO  88           HB2      PRO  88  -3.613 -13.223  17.133
  677    HB3  PRO  88           HB3      PRO  88  -5.269 -12.545  17.208
  678    HG2  PRO  88           HG2      PRO  88  -4.447 -15.386  16.555
  679    HG3  PRO  88           HG3      PRO  88  -5.700 -14.843  17.715
  680    HD2  PRO  88           HD2      PRO  88  -6.292 -15.627  15.151
  681    HD3  PRO  88           HD3      PRO  88  -7.213 -14.340  15.985
  682    H    CYS  89           H        CYS  89  -2.324 -11.773  15.073
  683    HA   CYS  89           HA       CYS  89  -1.071 -12.970  12.918
  684    HB2  CYS  89           HB2      CYS  89   0.261 -11.954  15.461
  685    HB3  CYS  89           HB3      CYS  89   1.031 -12.173  13.881
  686    HG   CYS  89           HG       CYS  89   0.634  -9.629  14.270
  687    H    SER  90           H        SER  90  -1.020 -14.152  16.333
  688    HA   SER  90           HA       SER  90   0.838 -16.164  16.048
  689    HB2  SER  90           HB2      SER  90  -1.697 -16.413  17.702
  690    HB3  SER  90           HB3      SER  90  -0.096 -17.090  18.044
  691    HG   SER  90           HG       SER  90  -0.509 -15.195  19.263
  692    H    LYS  91           H        LYS  91  -2.693 -16.529  15.543
  693    HA   LYS  91           HA       LYS  91  -2.569 -19.232  14.656
  694    HB2  LYS  91           HB2      LYS  91  -4.669 -17.073  14.179
  695    HB3  LYS  91           HB3      LYS  91  -4.887 -18.766  13.757
  696    HG2  LYS  91           HG2      LYS  91  -4.452 -17.727  16.592
  697    HG3  LYS  91           HG3      LYS  91  -6.004 -18.148  15.864
  698    HD2  LYS  91           HD2      LYS  91  -5.167 -20.517  15.562
  699    HD3  LYS  91           HD3      LYS  91  -3.676 -20.048  16.390
  700    HE2  LYS  91           HE2      LYS  91  -5.038 -21.120  18.010
  701    HE3  LYS  91           HE3      LYS  91  -5.001 -19.400  18.404
  702    HZ1  LYS  91           HZ1      LYS  91  -7.216 -19.205  17.409
  703    HZ2  LYS  91           HZ2      LYS  91  -7.226 -20.796  17.019
  704    HZ3  LYS  91           HZ3      LYS  91  -7.226 -20.335  18.579
  705    H    ILE  92           H        ILE  92  -2.420 -16.132  12.842
  706    HA   ILE  92           HA       ILE  92  -2.609 -17.298  10.245
  707    HB   ILE  92           HB       ILE  92  -1.143 -14.812  11.224
  708   HG12  ILE  92          HG12      ILE  92  -3.750 -14.912   9.664
  709   HG13  ILE  92          HG13      ILE  92  -3.757 -15.031  11.411
  710   HG21  ILE  92          HG21      ILE  92  -1.794 -15.680   8.375
  711   HG22  ILE  92          HG22      ILE  92  -1.164 -14.084   8.836
  712   HG23  ILE  92          HG23      ILE  92  -0.173 -15.506   9.079
  713   HD11  ILE  92          HD11      ILE  92  -2.843 -12.865  11.720
  714   HD12  ILE  92          HD12      ILE  92  -2.410 -12.692  10.020
  715   HD13  ILE  92          HD13      ILE  92  -4.119 -12.707  10.512
  716    H    ILE  93           H        ILE  93   0.268 -16.615  12.318
  717    HA   ILE  93           HA       ILE  93   2.184 -17.727  10.527
  718    HB   ILE  93           HB       ILE  93   2.198 -17.311  13.551
  719   HG12  ILE  93          HG12      ILE  93   3.508 -15.611  11.382
  720   HG13  ILE  93          HG13      ILE  93   1.902 -15.288  11.992
  721   HG21  ILE  93          HG21      ILE  93   4.680 -17.409  13.391
  722   HG22  ILE  93          HG22      ILE  93   3.938 -18.942  12.956
  723   HG23  ILE  93          HG23      ILE  93   4.533 -17.863  11.681
  724   HD11  ILE  93          HD11      ILE  93   4.476 -15.163  13.592
  725   HD12  ILE  93          HD12      ILE  93   3.345 -13.855  13.203
  726   HD13  ILE  93          HD13      ILE  93   2.854 -15.123  14.330
  727    H    GLN  94           H        GLN  94   0.440 -19.096  13.343
  728    HA   GLN  94           HA       GLN  94   1.658 -21.604  13.306
  729    HB2  GLN  94           HB2      GLN  94   0.415 -22.097  15.040
  730    HB3  GLN  94           HB3      GLN  94  -0.110 -20.439  14.965
  731    HG2  GLN  94           HG2      GLN  94  -2.037 -21.694  15.328
  732    HG3  GLN  94           HG3      GLN  94  -2.114 -21.182  13.655
  733   HE21  GLN  94          HE22      GLN  94  -3.202 -22.826  12.563
  734   HE22  GLN  94          HE21      GLN  94  -2.674 -24.503  12.573
  735    H    ARG  95           H        ARG  95  -1.228 -20.542  11.471
  736    HA   ARG  95           HA       ARG  95  -1.730 -23.059  10.194
  737    HB2  ARG  95           HB2      ARG  95  -3.347 -21.185  10.339
  738    HB3  ARG  95           HB3      ARG  95  -2.287 -20.171   9.372
  739    HG2  ARG  95           HG2      ARG  95  -4.095 -20.896   8.028
  740    HG3  ARG  95           HG3      ARG  95  -2.627 -21.655   7.422
  741    HD2  ARG  95           HD2      ARG  95  -3.253 -23.799   8.321
  742    HD3  ARG  95           HD3      ARG  95  -4.575 -23.099   9.260
  743    HE   ARG  95           HE       ARG  95  -4.538 -23.702   6.386
  744   HH11  ARG  95          HH21      ARG  95  -6.329 -22.072   9.009
  745   HH12  ARG  95          HH22      ARG  95  -7.717 -21.778   8.006
  746   HH21  ARG  95          HH11      ARG  95  -6.400 -23.170   5.072
  747   HH22  ARG  95          HH12      ARG  95  -7.731 -22.343   5.837
  748    H    ALA  96           H        ALA  96   0.167 -20.154   9.165
  749    HA   ALA  96           HA       ALA  96   0.949 -21.095   6.666
  750    HB1  ALA  96           HB1      ALA  96   1.346 -18.773   7.574
  751    HB2  ALA  96           HB2      ALA  96   2.666 -19.427   8.558
  752    HB3  ALA  96           HB3      ALA  96   2.773 -19.489   6.792
  753    H    GLU  97           H        GLU  97   2.576 -21.642   9.810
  754    HA   GLU  97           HA       GLU  97   4.684 -23.147   8.529
  755    HB2  GLU  97           HB2      GLU  97   5.669 -23.439  10.636
  756    HB3  GLU  97           HB3      GLU  97   5.063 -21.787  10.562
  757    HG2  GLU  97           HG2      GLU  97   3.142 -22.410  11.956
  758    HG3  GLU  97           HG3      GLU  97   3.656 -24.096  11.989
  759    H    GLU  98           H        GLU  98   1.471 -24.084   9.637
  760    HA   GLU  98           HA       GLU  98   2.182 -26.824  10.213
  761    HB2  GLU  98           HB2      GLU  98  -0.374 -25.268   9.847
  762    HB3  GLU  98           HB3      GLU  98  -0.424 -27.013   9.587
  763    HG2  GLU  98           HG2      GLU  98   0.673 -27.323  11.836
  764    HG3  GLU  98           HG3      GLU  98   0.414 -25.609  12.145
  765    H    LEU  99           H        LEU  99   1.225 -24.930   7.392
  766    HA   LEU  99           HA       LEU  99   0.775 -27.334   5.796
  767    HB2  LEU  99           HB2      LEU  99   0.825 -24.445   4.896
  768    HB3  LEU  99           HB3      LEU  99   0.116 -25.816   4.036
  769    HG   LEU  99           HG       LEU  99  -0.821 -24.682   6.704
  770   HD11  LEU  99          HD11      LEU  99  -2.184 -24.680   3.977
  771   HD12  LEU  99          HD12      LEU  99  -2.733 -23.859   5.459
  772   HD13  LEU  99          HD13      LEU  99  -1.252 -23.332   4.650
  773   HD21  LEU  99          HD21      LEU  99  -2.080 -26.925   5.091
  774   HD22  LEU  99          HD22      LEU  99  -1.298 -27.085   6.687
  775   HD23  LEU  99          HD23      LEU  99  -2.781 -26.146   6.525
  776    H    VAL 100           H        VAL 100   3.673 -25.635   6.476
  777    HA   VAL 100           HA       VAL 100   4.998 -25.725   3.979
  778    HB   VAL 100           HB       VAL 100   6.138 -26.112   6.779
  779   HG11  VAL 100          HG11      VAL 100   8.275 -25.296   5.796
  780   HG12  VAL 100          HG12      VAL 100   7.790 -26.834   5.088
  781   HG13  VAL 100          HG13      VAL 100   7.545 -25.327   4.178
  782   HG21  VAL 100          HG21      VAL 100   5.923 -23.602   5.051
  783   HG22  VAL 100          HG22      VAL 100   4.923 -23.957   6.466
  784   HG23  VAL 100          HG23      VAL 100   6.652 -23.716   6.674
  785    H    GLY 101           H        GLY 101   5.888 -27.324   2.771
  786    HA2  GLY 101           HA2      GLY 101   6.832 -29.389   2.321
  787    HA3  GLY 101           HA3      GLY 101   6.249 -30.038   3.859
  788    H    GLN 102           H        GLN 102   3.526 -28.507   2.695
  789    HA   GLN 102           HA       GLN 102   2.404 -30.964   1.561
  790    HB2  GLN 102           HB2      GLN 102   1.309 -28.145   1.959
  791    HB3  GLN 102           HB3      GLN 102   0.424 -29.415   1.103
  792    HG2  GLN 102           HG2      GLN 102   0.553 -30.906   3.025
  793    HG3  GLN 102           HG3      GLN 102   1.467 -29.703   3.946
  794   HE21  GLN 102          HE22      GLN 102  -0.386 -30.147   5.507
  795   HE22  GLN 102          HE21      GLN 102  -1.830 -29.183   5.325
  796    H    GLU 103           H        GLU 103   1.442 -30.987  -0.576
  797    HA   GLU 103           HA       GLU 103   3.113 -29.522  -2.567
  798    HB2  GLU 103           HB2      GLU 103   2.277 -32.454  -2.666
  799    HB3  GLU 103           HB3      GLU 103   3.239 -31.592  -3.868
  800    HG2  GLU 103           HG2      GLU 103   5.025 -31.248  -2.118
  801    HG3  GLU 103           HG3      GLU 103   4.068 -32.206  -0.992
  802    H    VAL 104           H        VAL 104   2.054 -28.909  -4.477
  803    HA   VAL 104           HA       VAL 104  -0.821 -29.580  -4.746
  804    HB   VAL 104           HB       VAL 104  -1.108 -27.153  -5.306
  805   HG11  VAL 104          HG11      VAL 104  -2.000 -28.162  -3.222
  806   HG12  VAL 104          HG12      VAL 104  -0.490 -27.743  -2.383
  807   HG13  VAL 104          HG13      VAL 104  -1.551 -26.463  -2.998
  808   HG21  VAL 104          HG21      VAL 104   1.441 -26.713  -3.702
  809   HG22  VAL 104          HG22      VAL 104   1.214 -26.431  -5.448
  810   HG23  VAL 104          HG23      VAL 104   0.330 -25.463  -4.269
  811    H    LEU 105           H        LEU 105  -1.629 -29.480  -6.856
  812    HA   LEU 105           HA       LEU 105   0.531 -30.020  -8.747
  813    HB2  LEU 105           HB2      LEU 105  -1.802 -31.344  -8.189
  814    HB3  LEU 105           HB3      LEU 105  -2.326 -30.365  -9.555
  815    HG   LEU 105           HG       LEU 105  -0.284 -31.288 -10.835
  816   HD11  LEU 105          HD11      LEU 105   0.682 -33.414  -9.955
  817   HD12  LEU 105          HD12      LEU 105   1.060 -32.065  -8.879
  818   HD13  LEU 105          HD13      LEU 105  -0.224 -33.197  -8.443
  819   HD21  LEU 105          HD21      LEU 105  -2.370 -33.277  -9.837
  820   HD22  LEU 105          HD22      LEU 105  -2.569 -32.141 -11.188
  821   HD23  LEU 105          HD23      LEU 105  -1.381 -33.447 -11.307
  822    H    TYR 106           H        TYR 106  -1.311 -27.260  -8.101
  823    HA   TYR 106           HA       TYR 106  -1.455 -26.311 -10.846
  824    HB2  TYR 106           HB2      TYR 106  -2.144 -24.191  -9.846
  825    HB3  TYR 106           HB3      TYR 106  -3.135 -25.537  -9.352
  826    HD1  TYR 106           HD2      TYR 106  -0.192 -23.478  -8.143
  827    HD2  TYR 106           HD1      TYR 106  -3.689 -25.783  -7.087
  828    HE1  TYR 106           HE2      TYR 106   0.056 -22.777  -5.787
  829    HE2  TYR 106           HE1      TYR 106  -3.465 -25.055  -4.738
  830    HH   TYR 106           HH       TYR 106  -2.247 -23.774  -3.218
  831    H    LYS 107           H        LYS 107  -0.176 -24.462 -11.659
  832    HA   LYS 107           HA       LYS 107   2.603 -24.617 -10.989
  833    HB2  LYS 107           HB2      LYS 107   1.649 -24.637 -13.285
  834    HB3  LYS 107           HB3      LYS 107   0.796 -23.112 -12.954
  835    HG2  LYS 107           HG2      LYS 107   2.809 -21.963 -12.700
  836    HG3  LYS 107           HG3      LYS 107   3.789 -23.443 -12.857
  837    HD2  LYS 107           HD2      LYS 107   3.194 -23.579 -15.224
  838    HD3  LYS 107           HD3      LYS 107   2.012 -22.269 -15.066
  839    HE2  LYS 107           HE2      LYS 107   5.014 -21.966 -14.570
  840    HE3  LYS 107           HE3      LYS 107   4.219 -21.579 -16.098
  841    HZ1  LYS 107           HZ1      LYS 107   4.526 -19.619 -14.715
  842    HZ2  LYS 107           HZ2      LYS 107   2.942 -19.879 -14.974
  843    HZ3  LYS 107           HZ3      LYS 107   3.601 -20.228 -13.513
  844    H    LEU 108           H        LEU 108   3.838 -22.659 -10.544
  845    HA   LEU 108           HA       LEU 108   2.794 -20.780  -8.631
  846    HB2  LEU 108           HB2      LEU 108   5.218 -20.560 -10.496
  847    HB3  LEU 108           HB3      LEU 108   4.832 -19.457  -9.197
  848    HG   LEU 108           HG       LEU 108   6.598 -20.789  -8.454
  849   HD11  LEU 108          HD11      LEU 108   5.728 -21.858  -6.448
  850   HD12  LEU 108          HD12      LEU 108   4.883 -20.334  -6.754
  851   HD13  LEU 108          HD13      LEU 108   4.089 -21.881  -7.126
  852   HD21  LEU 108          HD21      LEU 108   6.659 -23.193  -8.361
  853   HD22  LEU 108          HD22      LEU 108   5.041 -23.337  -9.025
  854   HD23  LEU 108          HD23      LEU 108   6.361 -22.690 -10.026
  855    H    THR 109           H        THR 109   1.397 -19.139  -9.058
  856    HA   THR 109           HA       THR 109   1.858 -17.447 -11.380
  857    HB   THR 109           HB       THR 109  -0.534 -17.240 -11.893
  858    HG1  THR 109           HG1      THR 109  -1.977 -18.813 -11.075
  859   HG21  THR 109          HG21      THR 109   0.787 -18.898 -13.222
  860   HG22  THR 109          HG22      THR 109   0.232 -20.182 -12.120
  861   HG23  THR 109          HG23      THR 109  -0.936 -19.292 -13.117
  862    H    SER 110           H        SER 110   0.968 -15.265 -10.902
  863    HA   SER 110           HA       SER 110   1.202 -14.370  -8.278
  864    HB2  SER 110           HB2      SER 110  -0.616 -13.186 -10.425
  865    HB3  SER 110           HB3      SER 110   0.231 -12.328  -9.120
  866    HG   SER 110           HG       SER 110   2.177 -12.952 -10.053
  867    H    GLU 111           H        GLU 111  -1.733 -15.459 -10.060
  868    HA   GLU 111           HA       GLU 111  -3.601 -14.786  -8.043
  869    HB2  GLU 111           HB2      GLU 111  -4.021 -15.185 -10.503
  870    HB3  GLU 111           HB3      GLU 111  -3.737 -16.902 -10.239
  871    HG2  GLU 111           HG2      GLU 111  -6.086 -16.573 -10.293
  872    HG3  GLU 111           HG3      GLU 111  -5.667 -16.926  -8.625
  873    H    ASN 112           H        ASN 112  -1.888 -17.918  -8.779
  874    HA   ASN 112           HA       ASN 112  -3.434 -19.389  -6.860
  875    HB2  ASN 112           HB2      ASN 112  -0.771 -19.945  -8.223
  876    HB3  ASN 112           HB3      ASN 112  -1.463 -21.033  -7.030
  877   HD21  ASN 112          HD22      ASN 112  -0.980 -21.501  -9.955
  878   HD22  ASN 112          HD21      ASN 112  -2.549 -21.934 -10.604
  879    H    CYS 113           H        CYS 113  -0.231 -17.753  -6.623
  880    HA   CYS 113           HA       CYS 113   0.223 -18.666  -3.937
  881    HB2  CYS 113           HB2      CYS 113   1.335 -16.208  -5.360
  882    HB3  CYS 113           HB3      CYS 113   1.982 -16.958  -3.889
  883    HG   CYS 113           HG       CYS 113   3.466 -17.546  -6.011
  884    H    GLU 114           H        GLU 114  -1.304 -15.687  -5.302
  885    HA   GLU 114           HA       GLU 114  -1.703 -14.356  -2.845
  886    HB2  GLU 114           HB2      GLU 114  -1.913 -13.452  -5.179
  887    HB3  GLU 114           HB3      GLU 114  -3.486 -14.236  -5.315
  888    HG2  GLU 114           HG2      GLU 114  -4.348 -12.884  -3.474
  889    HG3  GLU 114           HG3      GLU 114  -2.748 -12.219  -3.152
  890    H    HIS 115           H        HIS 115  -3.691 -16.767  -4.588
  891    HA   HIS 115           HA       HIS 115  -5.948 -16.734  -2.881
  892    HB2  HIS 115           HB2      HIS 115  -5.972 -17.678  -5.128
  893    HB3  HIS 115           HB3      HIS 115  -4.791 -18.903  -4.679
  894    HD2  HIS 115           HD2      HIS 115  -5.633 -21.028  -3.284
  895    HE1  HIS 115           HE1      HIS 115  -9.806 -20.211  -3.558
  896    HE2  HIS 115           HE2      HIS 115  -8.064 -21.955  -2.921
  897    H    PHE 116           H        PHE 116  -3.119 -19.063  -2.918
  898    HA   PHE 116           HA       PHE 116  -3.971 -20.472  -0.624
  899    HB2  PHE 116           HB2      PHE 116  -2.219 -21.460  -1.907
  900    HB3  PHE 116           HB3      PHE 116  -1.299 -19.964  -1.971
  901    HD1  PHE 116           HD1      PHE 116  -2.079 -22.921   0.143
  902    HD2  PHE 116           HD2      PHE 116   0.189 -19.262  -0.163
  903    HE1  PHE 116           HE1      PHE 116  -0.700 -23.593   2.094
  904    HE2  PHE 116           HE2      PHE 116   1.494 -19.887   1.843
  905    HZ   PHE 116           HZ       PHE 116   1.083 -22.089   2.947
  906    H    VAL 117           H        VAL 117  -1.721 -17.672  -0.837
  907    HA   VAL 117           HA       VAL 117  -1.196 -17.788   1.918
  908    HB   VAL 117           HB       VAL 117   0.111 -16.652   0.022
  909   HG11  VAL 117          HG11      VAL 117  -1.555 -15.013  -0.735
  910   HG12  VAL 117          HG12      VAL 117  -1.614 -14.271   0.871
  911   HG13  VAL 117          HG13      VAL 117  -0.139 -14.178  -0.090
  912   HG21  VAL 117          HG21      VAL 117  -0.100 -15.543   2.785
  913   HG22  VAL 117          HG22      VAL 117   0.967 -16.821   2.170
  914   HG23  VAL 117          HG23      VAL 117   1.203 -15.152   1.632
  915    H    ASN 118           H        ASN 118  -3.890 -16.213   0.229
  916    HA   ASN 118           HA       ASN 118  -4.743 -14.769   2.601
  917    HB2  ASN 118           HB2      ASN 118  -5.962 -15.231  -0.119
  918    HB3  ASN 118           HB3      ASN 118  -6.966 -14.670   1.225
  919   HD21  ASN 118          HD22      ASN 118  -4.087 -13.829  -0.724
  920   HD22  ASN 118          HD21      ASN 118  -3.937 -12.189  -0.093
  921    H    GLU 119           H        GLU 119  -5.257 -18.084   1.424
  922    HA   GLU 119           HA       GLU 119  -7.335 -18.807   3.153
  923    HB2  GLU 119           HB2      GLU 119  -5.828 -20.128   1.320
  924    HB3  GLU 119           HB3      GLU 119  -4.940 -20.609   2.780
  925    HG2  GLU 119           HG2      GLU 119  -7.280 -21.215   3.715
  926    HG3  GLU 119           HG3      GLU 119  -7.810 -21.073   2.035
  927    H    LEU 120           H        LEU 120  -3.860 -18.309   3.764
  928    HA   LEU 120           HA       LEU 120  -3.951 -19.276   6.467
  929    HB2  LEU 120           HB2      LEU 120  -1.903 -17.302   5.430
  930    HB3  LEU 120           HB3      LEU 120  -1.705 -18.548   6.657
  931    HG   LEU 120           HG       LEU 120  -2.044 -18.963   3.658
  932   HD11  LEU 120          HD11      LEU 120   0.361 -19.766   3.892
  933   HD12  LEU 120          HD12      LEU 120   0.083 -18.032   4.091
  934   HD13  LEU 120          HD13      LEU 120   0.346 -19.072   5.510
  935   HD21  LEU 120          HD21      LEU 120  -1.586 -21.269   3.959
  936   HD22  LEU 120          HD22      LEU 120  -1.312 -21.079   5.708
  937   HD23  LEU 120          HD23      LEU 120  -2.946 -20.896   5.010
  938    H    ARG 121           H        ARG 121  -4.019 -16.061   4.919
  939    HA   ARG 121           HA       ARG 121  -3.898 -14.662   7.391
  940    HB2  ARG 121           HB2      ARG 121  -3.167 -13.885   5.094
  941    HB3  ARG 121           HB3      ARG 121  -4.857 -13.609   4.679
  942    HG2  ARG 121           HG2      ARG 121  -3.517 -11.570   5.336
  943    HG3  ARG 121           HG3      ARG 121  -5.011 -11.798   6.233
  944    HD2  ARG 121           HD2      ARG 121  -3.932 -12.392   8.204
  945    HD3  ARG 121           HD3      ARG 121  -2.491 -12.971   7.360
  946    HE   ARG 121           HE       ARG 121  -1.493 -11.076   7.772
  947   HH11  ARG 121          HH21      ARG 121  -4.964 -10.133   7.602
  948   HH12  ARG 121          HH22      ARG 121  -4.676  -8.619   8.402
  949   HH21  ARG 121          HH11      ARG 121  -1.197  -9.026   8.749
  950   HH22  ARG 121          HH12      ARG 121  -2.564  -8.014   9.066
  951    H    TYR 122           H        TYR 122  -6.644 -15.773   5.455
  952    HA   TYR 122           HA       TYR 122  -8.527 -14.358   7.287
  953    HB2  TYR 122           HB2      TYR 122  -9.000 -15.933   4.735
  954    HB3  TYR 122           HB3      TYR 122 -10.225 -15.062   5.636
  955    HD1  TYR 122           HD1      TYR 122  -7.726 -12.661   5.814
  956    HD2  TYR 122           HD2      TYR 122 -10.176 -14.701   2.894
  957    HE1  TYR 122           HE1      TYR 122  -7.540 -10.728   4.300
  958    HE2  TYR 122           HE2      TYR 122 -10.009 -12.755   1.387
  959    HH   TYR 122           HH       TYR 122  -9.171 -10.618   1.088
  960    H    GLY 123           H        GLY 123  -7.584 -17.684   6.307
  961    HA2  GLY 123           HA2      GLY 123  -7.989 -19.437   8.008
  962    HA3  GLY 123           HA3      GLY 123  -9.645 -18.815   8.153
  963    H    VAL 124           H        VAL 124 -10.024 -18.220   5.337
  964    HA   VAL 124           HA       VAL 124  -9.519 -20.627   3.776
  965    HB   VAL 124           HB       VAL 124 -12.365 -19.565   4.112
  966   HG11  VAL 124          HG11      VAL 124 -11.275 -22.013   2.642
  967   HG12  VAL 124          HG12      VAL 124 -12.987 -21.561   2.784
  968   HG13  VAL 124          HG13      VAL 124 -11.883 -20.525   1.882
  969   HG21  VAL 124          HG21      VAL 124 -12.937 -21.750   5.151
  970   HG22  VAL 124          HG22      VAL 124 -11.209 -22.157   5.223
  971   HG23  VAL 124          HG23      VAL 124 -11.861 -20.794   6.163
  972    H    ALA 125           H        ALA 125  -9.110 -19.887   1.625
  973    HA   ALA 125           HA       ALA 125  -8.681 -17.156   1.160
  974    HB1  ALA 125           HB1      ALA 125  -7.589 -19.012  -0.080
  975    HB2  ALA 125           HB2      ALA 125  -9.143 -19.394  -0.857
  976    HB3  ALA 125           HB3      ALA 125  -8.349 -17.839  -1.172
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1  16.974   3.815  -2.689
    2    H2   MET   1           H2       MET   1  15.432   3.856  -3.233
    3    H3   MET   1           H3       MET   1  15.760   3.222  -1.761
    4    HA   MET   1           HA       MET   1  16.649   2.154  -4.346
    5    HB2  MET   1           HB2      MET   1  18.281   1.695  -2.569
    6    HB3  MET   1           HB3      MET   1  17.034   0.934  -1.582
    7    HG2  MET   1           HG2      MET   1  18.396  -0.730  -2.734
    8    HG3  MET   1           HG3      MET   1  16.728  -0.821  -3.282
    9    HE1  MET   1           HE1      MET   1  19.085  -2.305  -4.740
   10    HE2  MET   1           HE2      MET   1  17.396  -2.343  -5.299
   11    HE3  MET   1           HE3      MET   1  18.703  -1.965  -6.442
   12    H    ARG   2           H        ARG   2  14.859   0.689  -1.523
   13    HA   ARG   2           HA       ARG   2  12.429   0.472  -3.103
   14    HB2  ARG   2           HB2      ARG   2  12.292  -1.956  -3.039
   15    HB3  ARG   2           HB3      ARG   2  13.691  -1.439  -3.968
   16    HG2  ARG   2           HG2      ARG   2  15.132  -1.923  -1.915
   17    HG3  ARG   2           HG3      ARG   2  13.683  -2.615  -1.157
   18    HD2  ARG   2           HD2      ARG   2  13.468  -4.165  -3.112
   19    HD3  ARG   2           HD3      ARG   2  14.988  -3.527  -3.765
   20    HE   ARG   2           HE       ARG   2  15.585  -4.314  -1.170
   21   HH11  ARG   2          HH21      ARG   2  14.562  -5.935  -4.191
   22   HH12  ARG   2          HH22      ARG   2  14.770  -7.526  -3.548
   23   HH21  ARG   2          HH11      ARG   2  16.226  -6.423  -0.494
   24   HH22  ARG   2          HH12      ARG   2  16.018  -7.774  -1.540
   25    H    ALA   3           H        ALA   3  10.766  -0.827  -1.680
   26    HA   ALA   3           HA       ALA   3  10.349   0.821   0.494
   27    HB1  ALA   3           HB1      ALA   3   8.557  -0.376  -0.689
   28    HB2  ALA   3           HB2      ALA   3   9.136  -1.923  -0.024
   29    HB3  ALA   3           HB3      ALA   3   8.470  -0.686   1.055
   30    HA   PRO   4           HA       PRO   4  12.663  -1.216   3.796
   31    HB2  PRO   4           HB2      PRO   4  11.758   0.169   5.965
   32    HB3  PRO   4           HB3      PRO   4  12.756   0.934   4.696
   33    HG2  PRO   4           HG2      PRO   4   9.732   0.998   4.968
   34    HG3  PRO   4           HG3      PRO   4  10.850   2.373   4.716
   35    HD2  PRO   4           HD2      PRO   4   9.525   1.136   2.654
   36    HD3  PRO   4           HD3      PRO   4  11.164   1.826   2.455
   37    H    ILE   5           H        ILE   5  12.084  -2.138   6.079
   38    HA   ILE   5           HA       ILE   5   9.375  -3.333   6.241
   39    HB   ILE   5           HB       ILE   5  10.552  -5.330   7.343
   40   HG12  ILE   5          HG12      ILE   5  12.868  -4.545   5.518
   41   HG13  ILE   5          HG13      ILE   5  12.890  -4.320   7.266
   42   HG21  ILE   5          HG21      ILE   5  10.552  -6.510   5.202
   43   HG22  ILE   5          HG22      ILE   5   9.218  -5.365   5.267
   44   HG23  ILE   5          HG23      ILE   5  10.665  -4.956   4.327
   45   HD11  ILE   5          HD11      ILE   5  12.545  -6.777   7.576
   46   HD12  ILE   5          HD12      ILE   5  12.679  -6.987   5.813
   47   HD13  ILE   5          HD13      ILE   5  14.052  -6.361   6.736
   48    HA   PRO   6           HA       PRO   6  10.809  -0.696   9.695
   49    HB2  PRO   6           HB2      PRO   6   8.573   0.832  10.105
   50    HB3  PRO   6           HB3      PRO   6   9.743   1.135   8.782
   51    HG2  PRO   6           HG2      PRO   6   7.106  -0.351   8.624
   52    HG3  PRO   6           HG3      PRO   6   7.742   0.910   7.524
   53    HD2  PRO   6           HD2      PRO   6   7.972  -1.767   6.978
   54    HD3  PRO   6           HD3      PRO   6   9.229  -0.588   6.506
   55    H    GLU   7           H        GLU   7   7.646  -2.315   9.552
   56    HA   GLU   7           HA       GLU   7   8.028  -3.576  12.141
   57    HB2  GLU   7           HB2      GLU   7   6.028  -2.560  13.198
   58    HB3  GLU   7           HB3      GLU   7   7.329  -1.419  12.952
   59    HG2  GLU   7           HG2      GLU   7   6.218  -0.360  11.092
   60    HG3  GLU   7           HG3      GLU   7   4.989  -1.616  11.012
   61    HA   PRO   8           HA       PRO   8   4.942  -5.627   9.116
   62    HB2  PRO   8           HB2      PRO   8   6.394  -7.848   8.388
   63    HB3  PRO   8           HB3      PRO   8   6.382  -6.320   7.457
   64    HG2  PRO   8           HG2      PRO   8   8.430  -7.243   9.487
   65    HG3  PRO   8           HG3      PRO   8   8.706  -6.540   7.863
   66    HD2  PRO   8           HD2      PRO   8   8.848  -5.035  10.137
   67    HD3  PRO   8           HD3      PRO   8   8.174  -4.371   8.615
   68    H    LYS   9           H        LYS   9   3.549  -6.979  10.161
   69    HA   LYS   9           HA       LYS   9   4.357  -8.011  12.808
   70    HB2  LYS   9           HB2      LYS   9   1.626  -7.978  11.429
   71    HB3  LYS   9           HB3      LYS   9   1.964  -8.577  13.046
   72    HG2  LYS   9           HG2      LYS   9   1.195  -6.488  13.567
   73    HG3  LYS   9           HG3      LYS   9   2.929  -6.183  13.504
   74    HD2  LYS   9           HD2      LYS   9   2.560  -5.348  11.088
   75    HD3  LYS   9           HD3      LYS   9   0.838  -5.573  11.359
   76    HE2  LYS   9           HE2      LYS   9   1.409  -3.251  11.659
   77    HE3  LYS   9           HE3      LYS   9   0.931  -3.913  13.226
   78    HZ1  LYS   9           HZ1      LYS   9   3.758  -3.708  12.372
   79    HZ2  LYS   9           HZ2      LYS   9   3.016  -2.480  13.154
   80    HZ3  LYS   9           HZ3      LYS   9   3.194  -3.938  13.898
   81    HA   PRO  10           HA       PRO  10   4.879 -12.221  11.206
   82    HB2  PRO  10           HB2      PRO  10   3.475 -12.941  13.782
   83    HB3  PRO  10           HB3      PRO  10   4.940 -13.673  13.052
   84    HG2  PRO  10           HG2      PRO  10   5.220 -11.946  15.097
   85    HG3  PRO  10           HG3      PRO  10   6.294 -11.797  13.661
   86    HD2  PRO  10           HD2      PRO  10   3.805 -10.192  14.299
   87    HD3  PRO  10           HD3      PRO  10   5.411  -9.633  13.731
   88    H    GLY  11           H        GLY  11   3.544 -13.255   9.746
   89    HA2  GLY  11           HA2      GLY  11   1.614 -14.196   8.921
   90    HA3  GLY  11           HA3      GLY  11   0.638 -13.382  10.154
   91    H    ASP  12           H        ASP  12   2.722 -11.036   8.785
   92    HA   ASP  12           HA       ASP  12   0.573  -9.832   7.259
   93    HB2  ASP  12           HB2      ASP  12   3.479  -9.142   7.719
   94    HB3  ASP  12           HB3      ASP  12   2.556  -8.350   6.456
   95    H    LEU  13           H        LEU  13   0.166  -9.776   5.156
   96    HA   LEU  13           HA       LEU  13   1.338 -11.791   3.396
   97    HB2  LEU  13           HB2      LEU  13  -0.386  -9.368   2.718
   98    HB3  LEU  13           HB3      LEU  13   0.080 -10.681   1.645
   99    HG   LEU  13           HG       LEU  13  -2.025 -10.708   3.811
  100   HD11  LEU  13          HD11      LEU  13  -3.407 -11.491   2.024
  101   HD12  LEU  13          HD12      LEU  13  -2.569 -10.024   1.496
  102   HD13  LEU  13          HD13      LEU  13  -2.015 -11.605   0.917
  103   HD21  LEU  13          HD21      LEU  13  -0.847 -12.733   4.314
  104   HD22  LEU  13          HD22      LEU  13  -2.182 -13.214   3.251
  105   HD23  LEU  13          HD23      LEU  13  -0.536 -13.060   2.601
  106    H    ILE  14           H        ILE  14   2.928 -11.479   1.902
  107    HA   ILE  14           HA       ILE  14   4.075  -8.754   1.533
  108    HB   ILE  14           HB       ILE  14   5.506 -11.440   1.426
  109   HG12  ILE  14          HG12      ILE  14   5.045 -10.969   3.760
  110   HG13  ILE  14          HG13      ILE  14   6.758 -10.838   3.410
  111   HG21  ILE  14          HG21      ILE  14   6.496  -9.885  -0.134
  112   HG22  ILE  14          HG22      ILE  14   6.525  -8.596   1.071
  113   HG23  ILE  14          HG23      ILE  14   7.577 -10.023   1.255
  114   HD11  ILE  14          HD11      ILE  14   4.849  -8.488   3.745
  115   HD12  ILE  14          HD12      ILE  14   6.023  -9.061   4.938
  116   HD13  ILE  14          HD13      ILE  14   6.593  -8.358   3.417
  117    H    GLU  15           H        GLU  15   4.152  -8.146  -0.582
  118    HA   GLU  15           HA       GLU  15   3.555 -10.194  -2.668
  119    HB2  GLU  15           HB2      GLU  15   2.693  -8.520  -4.074
  120    HB3  GLU  15           HB3      GLU  15   1.886  -8.339  -2.513
  121    HG2  GLU  15           HG2      GLU  15   3.480  -6.444  -1.980
  122    HG3  GLU  15           HG3      GLU  15   4.188  -6.659  -3.581
  123    H    ILE  16           H        ILE  16   4.983 -10.206  -4.375
  124    HA   ILE  16           HA       ILE  16   7.708  -9.091  -3.916
  125    HB   ILE  16           HB       ILE  16   6.838 -11.840  -4.877
  126   HG12  ILE  16          HG12      ILE  16   6.376 -11.689  -2.460
  127   HG13  ILE  16          HG13      ILE  16   7.530 -12.918  -2.923
  128   HG21  ILE  16          HG21      ILE  16   9.252 -12.454  -4.680
  129   HG22  ILE  16          HG22      ILE  16   8.929 -11.223  -5.903
  130   HG23  ILE  16          HG23      ILE  16   9.622 -10.747  -4.346
  131   HD11  ILE  16          HD11      ILE  16   8.219 -11.785  -0.871
  132   HD12  ILE  16          HD12      ILE  16   9.405 -11.486  -2.155
  133   HD13  ILE  16          HD13      ILE  16   8.231 -10.230  -1.723
  134    H    PHE  17           H        PHE  17   8.171  -7.839  -5.688
  135    HA   PHE  17           HA       PHE  17   6.689  -8.153  -8.248
  136    HB2  PHE  17           HB2      PHE  17   8.785  -6.265  -7.177
  137    HB3  PHE  17           HB3      PHE  17   8.656  -6.499  -8.907
  138    HD1  PHE  17           HD1      PHE  17   5.927  -6.217  -6.271
  139    HD2  PHE  17           HD2      PHE  17   7.728  -4.604  -9.853
  140    HE1  PHE  17           HE1      PHE  17   4.072  -4.592  -6.485
  141    HE2  PHE  17           HE2      PHE  17   5.887  -2.955 -10.027
  142    HZ   PHE  17           HZ       PHE  17   4.055  -2.945  -8.343
  143    H    ARG  18           H        ARG  18   7.533  -9.267 -10.066
  144    HA   ARG  18           HA       ARG  18  10.253 -10.422  -9.787
  145    HB2  ARG  18           HB2      ARG  18   7.607 -11.731 -10.600
  146    HB3  ARG  18           HB3      ARG  18   9.171 -12.425 -10.960
  147    HG2  ARG  18           HG2      ARG  18   9.426 -11.882  -8.255
  148    HG3  ARG  18           HG3      ARG  18   7.719 -12.270  -8.366
  149    HD2  ARG  18           HD2      ARG  18   8.135 -14.437  -9.115
  150    HD3  ARG  18           HD3      ARG  18   9.765 -14.044  -9.733
  151    HE   ARG  18           HE       ARG  18  10.272 -13.679  -7.199
  152   HH11  ARG  18          HH11      ARG  18   8.462 -16.368  -8.680
  153   HH12  ARG  18          HH12      ARG  18   8.870 -17.486  -7.428
  154   HH21  ARG  18          HH21      ARG  18  10.896 -15.138  -5.664
  155   HH22  ARG  18          HH22      ARG  18  10.332 -16.777  -5.665
  156    HA   PRO  19           HA       PRO  19  11.472  -8.904 -13.492
  157    HB2  PRO  19           HB2      PRO  19  11.581 -11.618 -14.823
  158    HB3  PRO  19           HB3      PRO  19  12.808 -10.312 -14.836
  159    HG2  PRO  19           HG2      PRO  19  13.081 -12.391 -13.133
  160    HG3  PRO  19           HG3      PRO  19  13.365 -10.721 -12.542
  161    HD2  PRO  19           HD2      PRO  19  10.927 -12.461 -12.171
  162    HD3  PRO  19           HD3      PRO  19  11.737 -11.391 -11.002
  163    H    PHE  20           H        PHE  20   8.715 -11.043 -14.092
  164    HA   PHE  20           HA       PHE  20   7.727  -9.160 -16.163
  165    HB2  PHE  20           HB2      PHE  20   7.173 -11.011 -17.665
  166    HB3  PHE  20           HB3      PHE  20   8.894 -10.930 -17.371
  167    HD1  PHE  20           HD1      PHE  20   5.805 -12.901 -16.752
  168    HD2  PHE  20           HD2      PHE  20  10.078 -12.723 -16.188
  169    HE1  PHE  20           HE1      PHE  20   5.816 -15.279 -16.058
  170    HE2  PHE  20           HE2      PHE  20  10.084 -15.103 -15.491
  171    HZ   PHE  20           HZ       PHE  20   7.951 -16.386 -15.420
  172    H    TYR  21           H        TYR  21   6.997 -10.209 -13.212
  173    HA   TYR  21           HA       TYR  21   4.150 -10.331 -13.497
  174    HB2  TYR  21           HB2      TYR  21   3.713 -12.567 -12.889
  175    HB3  TYR  21           HB3      TYR  21   4.753 -12.637 -14.276
  176    HD1  TYR  21           HD2      TYR  21   7.480 -12.700 -13.440
  177    HD2  TYR  21           HD1      TYR  21   4.057 -14.261 -11.344
  178    HE1  TYR  21           HE2      TYR  21   8.882 -14.499 -12.504
  179    HE2  TYR  21           HE1      TYR  21   5.471 -15.999 -10.313
  180    HH   TYR  21           HH       TYR  21   8.937 -16.418 -11.164
  181    H    ARG  22           H        ARG  22   3.510 -11.530 -11.031
  182    HA   ARG  22           HA       ARG  22   5.471 -10.567  -9.082
  183    HB2  ARG  22           HB2      ARG  22   3.762  -9.450  -7.671
  184    HB3  ARG  22           HB3      ARG  22   4.142  -8.625  -9.168
  185    HG2  ARG  22           HG2      ARG  22   1.853  -8.373  -8.869
  186    HG3  ARG  22           HG3      ARG  22   2.011  -9.543 -10.172
  187    HD2  ARG  22           HD2      ARG  22   1.443 -11.377  -8.609
  188    HD3  ARG  22           HD3      ARG  22   1.448 -10.244  -7.259
  189    HE   ARG  22           HE       ARG  22  -0.303  -9.100  -9.059
  190   HH11  ARG  22          HH11      ARG  22  -0.403 -12.392  -7.568
  191   HH12  ARG  22          HH12      ARG  22  -2.094 -12.189  -7.186
  192   HH21  ARG  22          HH21      ARG  22  -2.598  -9.107  -8.605
  193   HH22  ARG  22          HH22      ARG  22  -3.253 -10.488  -7.747
  194    H    HIS  23           H        HIS  23   5.028 -11.389  -6.956
  195    HA   HIS  23           HA       HIS  23   3.685 -14.024  -6.945
  196    HB2  HIS  23           HB2      HIS  23   6.024 -14.368  -7.646
  197    HB3  HIS  23           HB3      HIS  23   6.621 -13.364  -6.331
  198    HD2  HIS  23           HD2      HIS  23   7.883 -14.938  -4.713
  199    HE1  HIS  23           HE1      HIS  23   5.065 -18.112  -4.469
  200    HE2  HIS  23           HE2      HIS  23   7.284 -17.245  -3.596
  201    H    TRP  24           H        TRP  24   3.884 -14.882  -4.509
  202    HA   TRP  24           HA       TRP  24   3.489 -12.625  -2.622
  203    HB2  TRP  24           HB2      TRP  24   1.411 -14.698  -3.385
  204    HB3  TRP  24           HB3      TRP  24   1.384 -13.850  -1.856
  205    HD1  TRP  24           HD1      TRP  24   1.021 -13.143  -5.603
  206    HE1  TRP  24           HE1      TRP  24  -0.285 -10.947  -5.900
  207    HE3  TRP  24           HE3      TRP  24   0.817 -11.691  -0.754
  208    HZ2  TRP  24           HZ2      TRP  24  -1.323  -8.827  -4.228
  209    HZ3  TRP  24           HZ3      TRP  24  -0.335  -9.543  -0.111
  210    HH2  TRP  24           HH2      TRP  24  -1.421  -8.153  -1.828
  211    H    ALA  25           H        ALA  25   3.702 -13.154  -0.504
  212    HA   ALA  25           HA       ALA  25   4.365 -15.873   0.369
  213    HB1  ALA  25           HB1      ALA  25   6.520 -15.157   1.287
  214    HB2  ALA  25           HB2      ALA  25   6.529 -14.872  -0.456
  215    HB3  ALA  25           HB3      ALA  25   6.297 -13.511   0.661
  216    H    ILE  26           H        ILE  26   4.704 -15.702   2.881
  217    HA   ILE  26           HA       ILE  26   3.284 -13.356   4.030
  218    HB   ILE  26           HB       ILE  26   1.966 -15.581   3.677
  219   HG12  ILE  26          HG12      ILE  26   1.950 -14.342   6.457
  220   HG13  ILE  26          HG13      ILE  26   1.274 -13.574   5.008
  221   HG21  ILE  26          HG21      ILE  26   2.148 -17.286   5.377
  222   HG22  ILE  26          HG22      ILE  26   3.701 -17.075   4.586
  223   HG23  ILE  26          HG23      ILE  26   3.421 -16.401   6.211
  224   HD11  ILE  26          HD11      ILE  26  -0.128 -15.627   4.633
  225   HD12  ILE  26          HD12      ILE  26   0.378 -16.193   6.238
  226   HD13  ILE  26          HD13      ILE  26  -0.548 -14.682   6.085
  227    H    TYR  27           H        TYR  27   4.289 -12.515   5.821
  228    HA   TYR  27           HA       TYR  27   7.002 -13.262   6.435
  229    HB2  TYR  27           HB2      TYR  27   5.939 -10.954   6.452
  230    HB3  TYR  27           HB3      TYR  27   5.064 -11.420   7.898
  231    HD1  TYR  27           HD1      TYR  27   8.577 -11.301   6.525
  232    HD2  TYR  27           HD2      TYR  27   6.034 -10.807   9.962
  233    HE1  TYR  27           HE1      TYR  27  10.471 -10.317   7.783
  234    HE2  TYR  27           HE2      TYR  27   7.928  -9.882  11.254
  235    HH   TYR  27           HH       TYR  27  10.203  -9.353  11.242
  236    H    VAL  28           H        VAL  28   7.736 -14.545   8.076
  237    HA   VAL  28           HA       VAL  28   5.924 -15.326  10.257
  238    HB   VAL  28           HB       VAL  28   6.302 -17.664  10.106
  239   HG11  VAL  28          HG11      VAL  28   5.511 -16.838   7.293
  240   HG12  VAL  28          HG12      VAL  28   5.079 -18.328   8.150
  241   HG13  VAL  28          HG13      VAL  28   4.427 -16.778   8.698
  242   HG21  VAL  28          HG21      VAL  28   8.576 -17.735   9.208
  243   HG22  VAL  28          HG22      VAL  28   7.499 -18.802   8.328
  244   HG23  VAL  28          HG23      VAL  28   7.974 -17.245   7.604
  245    H    GLY  29           H        GLY  29   7.147 -16.485  12.031
  246    HA2  GLY  29           HA2      GLY  29   8.726 -16.216  13.676
  247    HA3  GLY  29           HA3      GLY  29   9.958 -16.182  12.395
  248    H    ASP  30           H        ASP  30  11.088 -14.304  12.435
  249    HA   ASP  30           HA       ASP  30   9.597 -11.813  12.158
  250    HB2  ASP  30           HB2      ASP  30  10.022 -11.856  14.582
  251    HB3  ASP  30           HB3      ASP  30  11.751 -12.071  14.283
  252    H    GLY  31           H        GLY  31  10.617 -13.146  10.133
  253    HA2  GLY  31           HA2      GLY  31  12.287 -11.523   8.753
  254    HA3  GLY  31           HA3      GLY  31  13.448 -12.539   9.617
  255    H    TYR  32           H        TYR  32  11.013 -14.685   9.230
  256    HA   TYR  32           HA       TYR  32  12.152 -15.732   6.688
  257    HB2  TYR  32           HB2      TYR  32  10.663 -16.988   9.010
  258    HB3  TYR  32           HB3      TYR  32  10.849 -17.806   7.465
  259    HD1  TYR  32           HD2      TYR  32  12.699 -16.475  10.419
  260    HD2  TYR  32           HD1      TYR  32  12.932 -18.795   6.777
  261    HE1  TYR  32           HE2      TYR  32  14.926 -17.309  11.096
  262    HE2  TYR  32           HE1      TYR  32  15.166 -19.626   7.447
  263    HH   TYR  32           HH       TYR  32  16.744 -18.654  10.530
  264    H    VAL  33           H        VAL  33  10.471 -16.874   5.325
  265    HA   VAL  33           HA       VAL  33   7.778 -15.781   5.586
  266    HB   VAL  33           HB       VAL  33   7.672 -15.503   3.074
  267   HG11  VAL  33          HG11      VAL  33   9.468 -13.568   4.548
  268   HG12  VAL  33          HG12      VAL  33   8.670 -13.252   2.991
  269   HG13  VAL  33          HG13      VAL  33   7.693 -13.523   4.432
  270   HG21  VAL  33          HG21      VAL  33   9.676 -16.715   2.389
  271   HG22  VAL  33          HG22      VAL  33   9.756 -15.034   1.839
  272   HG23  VAL  33          HG23      VAL  33  10.711 -15.559   3.241
  273    H    VAL  34           H        VAL  34   6.175 -17.069   4.509
  274    HA   VAL  34           HA       VAL  34   7.051 -19.747   3.551
  275    HB   VAL  34           HB       VAL  34   4.627 -18.938   5.200
  276   HG11  VAL  34          HG11      VAL  34   3.814 -21.276   4.965
  277   HG12  VAL  34          HG12      VAL  34   3.729 -20.366   3.455
  278   HG13  VAL  34          HG13      VAL  34   5.035 -21.554   3.704
  279   HG21  VAL  34          HG21      VAL  34   6.709 -19.482   6.380
  280   HG22  VAL  34          HG22      VAL  34   5.446 -20.678   6.716
  281   HG23  VAL  34          HG23      VAL  34   6.749 -21.065   5.579
  282    H    HIS  35           H        HIS  35   6.259 -20.322   1.545
  283    HA   HIS  35           HA       HIS  35   4.291 -18.710   0.135
  284    HB2  HIS  35           HB2      HIS  35   5.715 -17.758  -1.513
  285    HB3  HIS  35           HB3      HIS  35   6.333 -17.266   0.050
  286    HD2  HIS  35           HD2      HIS  35   8.177 -19.995   0.555
  287    HE1  HIS  35           HE1      HIS  35  10.284 -18.538  -2.837
  288    HE2  HIS  35           HE2      HIS  35  10.402 -20.079  -0.816
  289    H    LEU  36           H        LEU  36   4.242 -19.471  -2.275
  290    HA   LEU  36           HA       LEU  36   4.644 -22.409  -2.388
  291    HB2  LEU  36           HB2      LEU  36   3.273 -20.372  -4.179
  292    HB3  LEU  36           HB3      LEU  36   3.753 -21.932  -4.808
  293    HG   LEU  36           HG       LEU  36   1.403 -21.908  -4.239
  294   HD11  LEU  36          HD11      LEU  36   2.937 -23.743  -2.362
  295   HD12  LEU  36          HD12      LEU  36   1.282 -23.959  -2.938
  296   HD13  LEU  36          HD13      LEU  36   2.634 -24.047  -4.078
  297   HD21  LEU  36          HD21      LEU  36   0.581 -21.808  -1.989
  298   HD22  LEU  36          HD22      LEU  36   2.204 -21.556  -1.327
  299   HD23  LEU  36          HD23      LEU  36   1.455 -20.308  -2.353
  300    H    ALA  37           H        ALA  37   6.242 -23.324  -3.654
  301    HA   ALA  37           HA       ALA  37   7.873 -21.667  -5.450
  302    HB1  ALA  37           HB1      ALA  37   8.968 -23.098  -2.992
  303    HB2  ALA  37           HB2      ALA  37   9.975 -22.410  -4.285
  304    HB3  ALA  37           HB3      ALA  37   8.974 -21.349  -3.278
  305    HA   PRO  38           HA       PRO  38   8.192 -25.619  -7.569
  306    HB2  PRO  38           HB2      PRO  38  11.162 -25.146  -7.773
  307    HB3  PRO  38           HB3      PRO  38  10.000 -25.608  -9.052
  308    HG2  PRO  38           HG2      PRO  38  10.897 -23.048  -8.865
  309    HG3  PRO  38           HG3      PRO  38   9.167 -23.378  -9.211
  310    HD2  PRO  38           HD2      PRO  38  10.444 -22.662  -6.565
  311    HD3  PRO  38           HD3      PRO  38   8.948 -22.021  -7.313
  312    HA   PRO  39           HA       PRO  39   9.679 -28.631  -4.542
  313    HB2  PRO  39           HB2      PRO  39  10.678 -30.316  -6.808
  314    HB3  PRO  39           HB3      PRO  39   9.524 -30.735  -5.516
  315    HG2  PRO  39           HG2      PRO  39   8.746 -30.246  -8.116
  316    HG3  PRO  39           HG3      PRO  39   7.720 -29.831  -6.709
  317    HD2  PRO  39           HD2      PRO  39   9.456 -28.031  -8.380
  318    HD3  PRO  39           HD3      PRO  39   7.846 -27.725  -7.657
  319    H    SER  40           H        SER  40  11.674 -28.669  -3.444
  320    HA   SER  40           HA       SER  40  13.768 -27.086  -4.356
  321    HB2  SER  40           HB2      SER  40  13.820 -29.186  -2.155
  322    HB3  SER  40           HB3      SER  40  14.870 -27.758  -2.284
  323    HG   SER  40           HG       SER  40  13.011 -27.493  -0.894
  324    H    GLU  41           H        GLU  41  13.359 -30.503  -5.008
  325    HA   GLU  41           HA       GLU  41  16.139 -30.577  -6.079
  326    HB2  GLU  41           HB2      GLU  41  14.509 -32.847  -4.856
  327    HB3  GLU  41           HB3      GLU  41  16.108 -33.022  -5.591
  328    HG2  GLU  41           HG2      GLU  41  17.049 -31.451  -3.896
  329    HG3  GLU  41           HG3      GLU  41  15.473 -31.376  -3.105
  330    H    VAL  42           H        VAL  42  13.464 -29.895  -7.163
  331    HA   VAL  42           HA       VAL  42  11.989 -30.169  -8.769
  332    HB   VAL  42           HB       VAL  42  12.999 -30.230 -11.073
  333   HG11  VAL  42          HG11      VAL  42  14.144 -28.231  -9.071
  334   HG12  VAL  42          HG12      VAL  42  13.935 -27.982 -10.818
  335   HG13  VAL  42          HG13      VAL  42  12.517 -28.160  -9.773
  336   HG21  VAL  42          HG21      VAL  42  15.065 -31.518 -10.599
  337   HG22  VAL  42          HG22      VAL  42  15.369 -29.942 -11.354
  338   HG23  VAL  42          HG23      VAL  42  15.669 -30.158  -9.625
  339    H    ALA  43           H        ALA  43  13.910 -33.168  -8.814
  340    HA   ALA  43           HA       ALA  43  11.528 -34.627  -9.730
  341    HB1  ALA  43           HB1      ALA  43  12.606 -33.871 -11.838
  342    HB2  ALA  43           HB2      ALA  43  14.153 -34.566 -11.297
  343    HB3  ALA  43           HB3      ALA  43  12.781 -35.628 -11.641
  344    H    GLY  44           H        GLY  44  11.963 -37.011  -9.695
  345    HA2  GLY  44           HA2      GLY  44  14.379 -38.018  -8.419
  346    HA3  GLY  44           HA3      GLY  44  12.956 -38.020  -7.363
  347    H    ALA  45           H        ALA  45  12.542 -38.506 -10.853
  348    HA   ALA  45           HA       ALA  45  12.623 -41.391 -10.773
  349    HB1  ALA  45           HB1      ALA  45  10.232 -41.691 -11.391
  350    HB2  ALA  45           HB2      ALA  45  10.372 -41.005  -9.765
  351    HB3  ALA  45           HB3      ALA  45   9.938 -39.957 -11.135
  352    H    GLY  46           H        GLY  46  12.334 -42.233 -12.966
  353    HA2  GLY  46           HA2      GLY  46  13.465 -40.621 -15.011
  354    HA3  GLY  46           HA3      GLY  46  12.734 -42.223 -15.205
  355    H    ALA  47           H        ALA  47  10.171 -40.830 -13.960
  356    HA   ALA  47           HA       ALA  47   8.814 -40.176 -16.390
  357    HB1  ALA  47           HB1      ALA  47   6.969 -39.561 -14.880
  358    HB2  ALA  47           HB2      ALA  47   7.696 -41.098 -14.379
  359    HB3  ALA  47           HB3      ALA  47   8.068 -39.600 -13.487
  360    H    ALA  48           H        ALA  48  11.095 -38.302 -14.653
  361    HA   ALA  48           HA       ALA  48  10.178 -35.827 -15.989
  362    HB1  ALA  48           HB1      ALA  48   9.404 -35.639 -13.665
  363    HB2  ALA  48           HB2      ALA  48  11.016 -36.081 -13.067
  364    HB3  ALA  48           HB3      ALA  48  10.773 -34.544 -13.927
  365    H    SER  49           H        SER  49  11.964 -34.233 -16.047
  366    HA   SER  49           HA       SER  49  14.647 -35.488 -16.381
  367    HB2  SER  49           HB2      SER  49  13.161 -33.778 -18.418
  368    HB3  SER  49           HB3      SER  49  14.739 -34.556 -18.627
  369    HG   SER  49           HG       SER  49  13.038 -35.743 -19.600
  370    H    VAL  50           H        VAL  50  13.976 -33.925 -14.208
  371    HA   VAL  50           HA       VAL  50  14.288 -32.082 -13.017
  372    HB   VAL  50           HB       VAL  50  16.550 -31.197 -12.975
  373   HG11  VAL  50          HG11      VAL  50  17.710 -33.283 -12.497
  374   HG12  VAL  50          HG12      VAL  50  16.051 -33.346 -11.901
  375   HG13  VAL  50          HG13      VAL  50  16.493 -34.211 -13.391
  376   HG21  VAL  50          HG21      VAL  50  18.312 -31.856 -14.446
  377   HG22  VAL  50          HG22      VAL  50  17.239 -32.888 -15.404
  378   HG23  VAL  50          HG23      VAL  50  17.044 -31.119 -15.434
  379    H    MET  51           H        MET  51  12.897 -31.545 -15.656
  380    HA   MET  51           HA       MET  51  13.525 -28.812 -16.324
  381    HB2  MET  51           HB2      MET  51  11.663 -28.957 -17.813
  382    HB3  MET  51           HB3      MET  51  12.556 -30.466 -17.923
  383    HG2  MET  51           HG2      MET  51   9.966 -30.034 -16.370
  384    HG3  MET  51           HG3      MET  51  10.093 -30.746 -17.968
  385    HE1  MET  51           HE1      MET  51   8.500 -32.652 -17.016
  386    HE2  MET  51           HE2      MET  51   8.909 -33.682 -15.626
  387    HE3  MET  51           HE3      MET  51   8.561 -31.959 -15.378
  388    H    SER  52           H        SER  52  11.831 -30.192 -13.690
  389    HA   SER  52           HA       SER  52   9.600 -28.625 -13.468
  390    HB2  SER  52           HB2      SER  52  10.832 -29.704 -10.985
  391    HB3  SER  52           HB3      SER  52   9.195 -29.885 -11.602
  392    HG   SER  52           HG       SER  52  10.644 -31.765 -11.594
  393    H    ALA  53           H        ALA  53  12.188 -26.909 -13.608
  394    HA   ALA  53           HA       ALA  53  12.203 -25.252 -11.238
  395    HB1  ALA  53           HB1      ALA  53  12.857 -24.594 -14.151
  396    HB2  ALA  53           HB2      ALA  53  13.240 -23.586 -12.741
  397    HB3  ALA  53           HB3      ALA  53  14.013 -25.173 -12.925
  398    H    LEU  54           H        LEU  54  10.107 -25.644 -14.045
  399    HA   LEU  54           HA       LEU  54   7.996 -24.246 -12.662
  400    HB2  LEU  54           HB2      LEU  54   8.887 -22.389 -14.045
  401    HB3  LEU  54           HB3      LEU  54   8.821 -23.413 -15.484
  402    HG   LEU  54           HG       LEU  54   6.349 -23.529 -15.314
  403   HD11  LEU  54          HD11      LEU  54   6.688 -21.650 -12.929
  404   HD12  LEU  54          HD12      LEU  54   5.151 -21.971 -13.759
  405   HD13  LEU  54          HD13      LEU  54   5.966 -23.275 -12.903
  406   HD21  LEU  54          HD21      LEU  54   7.432 -20.683 -15.228
  407   HD22  LEU  54          HD22      LEU  54   7.419 -21.753 -16.646
  408   HD23  LEU  54          HD23      LEU  54   5.890 -21.202 -15.946
  409    H    THR  55           H        THR  55   6.176 -25.500 -12.976
  410    HA   THR  55           HA       THR  55   5.785 -27.318 -15.186
  411    HB   THR  55           HB       THR  55   5.576 -29.089 -13.032
  412    HG1  THR  55           HG1      THR  55   6.843 -27.770 -11.689
  413   HG21  THR  55          HG21      THR  55   7.543 -30.240 -13.979
  414   HG22  THR  55          HG22      THR  55   6.397 -29.721 -15.226
  415   HG23  THR  55          HG23      THR  55   7.900 -28.812 -14.975
  416    H    ASP  56           H        ASP  56   3.621 -28.586 -14.545
  417    HA   ASP  56           HA       ASP  56   1.804 -26.537 -13.655
  418    HB2  ASP  56           HB2      ASP  56   1.460 -28.199 -15.571
  419    HB3  ASP  56           HB3      ASP  56   1.062 -29.394 -14.331
  420    H    LYS  57           H        LYS  57   3.593 -27.439 -11.628
  421    HA   LYS  57           HA       LYS  57   1.771 -28.272  -9.452
  422    HB2  LYS  57           HB2      LYS  57   4.515 -29.439 -10.153
  423    HB3  LYS  57           HB3      LYS  57   3.737 -29.649  -8.577
  424    HG2  LYS  57           HG2      LYS  57   1.878 -30.800  -9.531
  425    HG3  LYS  57           HG3      LYS  57   2.464 -30.516 -11.191
  426    HD2  LYS  57           HD2      LYS  57   4.508 -31.813 -10.705
  427    HD3  LYS  57           HD3      LYS  57   3.914 -32.148  -9.062
  428    HE2  LYS  57           HE2      LYS  57   1.935 -33.307 -10.024
  429    HE3  LYS  57           HE3      LYS  57   2.518 -32.964 -11.656
  430    HZ1  LYS  57           HZ1      LYS  57   4.461 -34.340 -11.178
  431    HZ2  LYS  57           HZ2      LYS  57   3.923 -34.655  -9.665
  432    HZ3  LYS  57           HZ3      LYS  57   3.097 -35.200 -10.959
  433    H    ALA  58           H        ALA  58   2.633 -27.725  -7.450
  434    HA   ALA  58           HA       ALA  58   5.098 -26.127  -7.207
  435    HB1  ALA  58           HB1      ALA  58   3.307 -24.394  -7.703
  436    HB2  ALA  58           HB2      ALA  58   2.435 -24.940  -6.274
  437    HB3  ALA  58           HB3      ALA  58   4.049 -24.216  -6.101
  438    H    ILE  59           H        ILE  59   5.460 -25.616  -4.737
  439    HA   ILE  59           HA       ILE  59   3.980 -27.470  -3.014
  440    HB   ILE  59           HB       ILE  59   5.687 -28.716  -2.280
  441   HG12  ILE  59          HG12      ILE  59   7.967 -27.036  -3.316
  442   HG13  ILE  59          HG13      ILE  59   7.237 -26.784  -1.724
  443   HG21  ILE  59          HG21      ILE  59   6.985 -29.726  -4.063
  444   HG22  ILE  59          HG22      ILE  59   5.366 -29.375  -4.605
  445   HG23  ILE  59          HG23      ILE  59   6.713 -28.313  -5.093
  446   HD11  ILE  59          HD11      ILE  59   7.607 -29.190  -1.169
  447   HD12  ILE  59          HD12      ILE  59   8.575 -29.341  -2.648
  448   HD13  ILE  59          HD13      ILE  59   9.090 -28.241  -1.364
  449    H    VAL  60           H        VAL  60   4.125 -26.802  -0.721
  450    HA   VAL  60           HA       VAL  60   4.534 -23.857  -0.557
  451    HB   VAL  60           HB       VAL  60   3.474 -25.774   1.557
  452   HG11  VAL  60          HG11      VAL  60   3.282 -22.729   1.357
  453   HG12  VAL  60          HG12      VAL  60   2.673 -23.759   2.674
  454   HG13  VAL  60          HG13      VAL  60   4.409 -23.590   2.414
  455   HG21  VAL  60          HG21      VAL  60   1.235 -24.928   1.027
  456   HG22  VAL  60          HG22      VAL  60   1.879 -23.910  -0.264
  457   HG23  VAL  60          HG23      VAL  60   1.920 -25.679  -0.419
  458    H    LYS  61           H        LYS  61   6.322 -23.004   0.433
  459    HA   LYS  61           HA       LYS  61   8.223 -24.780   1.881
  460    HB2  LYS  61           HB2      LYS  61   8.598 -23.330  -0.731
  461    HB3  LYS  61           HB3      LYS  61   9.946 -23.267   0.410
  462    HG2  LYS  61           HG2      LYS  61  10.192 -25.614   0.495
  463    HG3  LYS  61           HG3      LYS  61   8.614 -25.905  -0.223
  464    HD2  LYS  61           HD2      LYS  61  10.431 -26.440  -1.745
  465    HD3  LYS  61           HD3      LYS  61   9.352 -25.218  -2.400
  466    HE2  LYS  61           HE2      LYS  61  10.972 -23.457  -1.997
  467    HE3  LYS  61           HE3      LYS  61  11.978 -24.535  -1.013
  468    HZ1  LYS  61           HZ1      LYS  61  12.502 -25.814  -2.879
  469    HZ2  LYS  61           HZ2      LYS  61  11.446 -25.052  -3.879
  470    HZ3  LYS  61           HZ3      LYS  61  12.790 -24.256  -3.322
  471    H    LYS  62           H        LYS  62   9.919 -23.475   2.958
  472    HA   LYS  62           HA       LYS  62   8.984 -20.786   3.793
  473    HB2  LYS  62           HB2      LYS  62   8.444 -22.455   5.538
  474    HB3  LYS  62           HB3      LYS  62  10.103 -23.050   5.516
  475    HG2  LYS  62           HG2      LYS  62  10.916 -20.881   6.390
  476    HG3  LYS  62           HG3      LYS  62   9.257 -20.241   6.359
  477    HD2  LYS  62           HD2      LYS  62   8.536 -21.972   7.954
  478    HD3  LYS  62           HD3      LYS  62  10.173 -22.665   7.971
  479    HE2  LYS  62           HE2      LYS  62  11.080 -20.579   8.916
  480    HE3  LYS  62           HE3      LYS  62   9.485 -19.818   8.811
  481    HZ1  LYS  62           HZ1      LYS  62   9.866 -20.624  11.039
  482    HZ2  LYS  62           HZ2      LYS  62   8.655 -21.509  10.359
  483    HZ3  LYS  62           HZ3      LYS  62  10.160 -22.142  10.516
  484    H    GLU  63           H        GLU  63  10.720 -19.289   4.042
  485    HA   GLU  63           HA       GLU  63  13.484 -20.131   3.474
  486    HB2  GLU  63           HB2      GLU  63  11.811 -18.316   1.661
  487    HB3  GLU  63           HB3      GLU  63  13.564 -18.396   1.601
  488    HG2  GLU  63           HG2      GLU  63  11.647 -20.667   0.947
  489    HG3  GLU  63           HG3      GLU  63  12.522 -19.675  -0.199
  490    H    LEU  64           H        LEU  64  14.953 -18.300   3.896
  491    HA   LEU  64           HA       LEU  64  13.943 -16.362   5.819
  492    HB2  LEU  64           HB2      LEU  64  16.300 -17.344   5.803
  493    HB3  LEU  64           HB3      LEU  64  16.598 -16.429   4.320
  494    HG   LEU  64           HG       LEU  64  16.179 -14.307   5.586
  495   HD11  LEU  64          HD11      LEU  64  14.733 -15.200   7.432
  496   HD12  LEU  64          HD12      LEU  64  16.114 -16.111   8.054
  497   HD13  LEU  64          HD13      LEU  64  16.134 -14.336   8.055
  498   HD21  LEU  64          HD21      LEU  64  18.493 -15.240   5.348
  499   HD22  LEU  64          HD22      LEU  64  18.287 -14.331   6.849
  500   HD23  LEU  64          HD23      LEU  64  18.285 -16.108   6.874
  501    H    LEU  65           H        LEU  65  13.363 -14.171   5.305
  502    HA   LEU  65           HA       LEU  65  12.042 -13.863   2.917
  503    HB2  LEU  65           HB2      LEU  65  11.539 -12.600   4.894
  504    HB3  LEU  65           HB3      LEU  65  13.046 -11.702   4.801
  505    HG   LEU  65           HG       LEU  65  11.195 -11.579   2.405
  506   HD11  LEU  65          HD11      LEU  65   9.633 -11.252   4.291
  507   HD12  LEU  65          HD12      LEU  65  10.702 -10.024   4.993
  508   HD13  LEU  65          HD13      LEU  65   9.896  -9.736   3.433
  509   HD21  LEU  65          HD21      LEU  65  13.384 -10.305   2.427
  510   HD22  LEU  65          HD22      LEU  65  11.990  -9.237   2.346
  511   HD23  LEU  65          HD23      LEU  65  12.850  -9.450   3.881
  512    H    TYR  66           H        TYR  66  15.401 -12.811   3.496
  513    HA   TYR  66           HA       TYR  66  15.745 -11.144   1.302
  514    HB2  TYR  66           HB2      TYR  66  17.883 -11.110   1.832
  515    HB3  TYR  66           HB3      TYR  66  17.352 -11.944   3.278
  516    HD1  TYR  66           HD2      TYR  66  17.624 -14.463   3.403
  517    HD2  TYR  66           HD1      TYR  66  19.223 -12.144   0.171
  518    HE1  TYR  66           HE2      TYR  66  19.101 -16.373   2.802
  519    HE2  TYR  66           HE1      TYR  66  20.728 -14.034  -0.460
  520    HH   TYR  66           HH       TYR  66  20.745 -17.151   1.340
  521    H    ASP  67           H        ASP  67  15.721 -14.713   1.310
  522    HA   ASP  67           HA       ASP  67  16.851 -15.062  -1.288
  523    HB2  ASP  67           HB2      ASP  67  16.685 -16.878   0.358
  524    HB3  ASP  67           HB3      ASP  67  14.920 -16.824   0.268
  525    H    VAL  68           H        VAL  68  13.534 -14.435  -0.194
  526    HA   VAL  68           HA       VAL  68  12.399 -14.921  -2.863
  527    HB   VAL  68           HB       VAL  68  10.993 -13.878  -0.358
  528   HG11  VAL  68          HG11      VAL  68   9.966 -15.500  -2.748
  529   HG12  VAL  68          HG12      VAL  68   8.997 -14.830  -1.421
  530   HG13  VAL  68          HG13      VAL  68   9.784 -13.748  -2.580
  531   HG21  VAL  68          HG21      VAL  68  11.615 -16.755  -1.184
  532   HG22  VAL  68          HG22      VAL  68  11.981 -15.964   0.365
  533   HG23  VAL  68          HG23      VAL  68  10.309 -16.338  -0.066
  534    H    ALA  69           H        ALA  69  13.042 -12.198  -0.619
  535    HA   ALA  69           HA       ALA  69  12.009 -10.100  -2.226
  536    HB1  ALA  69           HB1      ALA  69  14.219 -10.193  -0.127
  537    HB2  ALA  69           HB2      ALA  69  13.564  -8.703  -0.815
  538    HB3  ALA  69           HB3      ALA  69  12.500  -9.780   0.111
  539    H    GLY  70           H        GLY  70  15.014 -11.932  -2.528
  540    HA2  GLY  70           HA2      GLY  70  16.556 -10.161  -4.062
  541    HA3  GLY  70           HA3      GLY  70  16.609 -11.929  -4.137
  542    H    SER  71           H        SER  71  13.507 -11.547  -4.982
  543    HA   SER  71           HA       SER  71  13.835 -12.043  -7.708
  544    HB2  SER  71           HB2      SER  71  11.399 -10.832  -6.355
  545    HB3  SER  71           HB3      SER  71  11.471 -11.683  -7.908
  546    HG   SER  71           HG       SER  71  11.856 -12.726  -5.285
  547    H    ASP  72           H        ASP  72  12.756  -8.944  -6.236
  548    HA   ASP  72           HA       ASP  72  14.420  -7.333  -7.891
  549    HB2  ASP  72           HB2      ASP  72  12.698  -7.787  -9.617
  550    HB3  ASP  72           HB3      ASP  72  11.444  -7.296  -8.483
  551    H    LYS  73           H        LYS  73  11.216  -7.119  -6.350
  552    HA   LYS  73           HA       LYS  73  12.217  -5.735  -4.043
  553    HB2  LYS  73           HB2      LYS  73  11.095  -3.617  -4.298
  554    HB3  LYS  73           HB3      LYS  73  12.177  -3.845  -5.674
  555    HG2  LYS  73           HG2      LYS  73  10.250  -4.476  -7.093
  556    HG3  LYS  73           HG3      LYS  73   9.151  -4.274  -5.713
  557    HD2  LYS  73           HD2      LYS  73   9.766  -1.887  -5.556
  558    HD3  LYS  73           HD3      LYS  73  10.886  -2.081  -6.925
  559    HE2  LYS  73           HE2      LYS  73   8.999  -2.763  -8.379
  560    HE3  LYS  73           HE3      LYS  73   7.876  -2.594  -7.025
  561    HZ1  LYS  73           HZ1      LYS  73   7.855  -0.640  -8.440
  562    HZ2  LYS  73           HZ2      LYS  73   8.411  -0.223  -6.968
  563    HZ3  LYS  73           HZ3      LYS  73   9.448  -0.383  -8.223
  564    H    TYR  74           H        TYR  74  10.118  -4.988  -2.684
  565    HA   TYR  74           HA       TYR  74   7.814  -6.691  -3.082
  566    HB2  TYR  74           HB2      TYR  74   8.223  -8.104  -1.154
  567    HB3  TYR  74           HB3      TYR  74   9.531  -8.329  -2.292
  568    HD1  TYR  74           HD1      TYR  74  11.771  -6.975  -1.794
  569    HD2  TYR  74           HD2      TYR  74   8.616  -7.533   1.097
  570    HE1  TYR  74           HE1      TYR  74  13.304  -6.279   0.018
  571    HE2  TYR  74           HE2      TYR  74  10.156  -6.920   2.908
  572    HH   TYR  74           HH       TYR  74  12.332  -6.225   3.464
  573    H    GLN  75           H        GLN  75   6.275  -6.371  -1.243
  574    HA   GLN  75           HA       GLN  75   6.991  -4.585   0.866
  575    HB2  GLN  75           HB2      GLN  75   5.092  -2.939   0.435
  576    HB3  GLN  75           HB3      GLN  75   6.574  -2.707  -0.447
  577    HG2  GLN  75           HG2      GLN  75   4.215  -4.177  -1.674
  578    HG3  GLN  75           HG3      GLN  75   4.301  -2.426  -1.666
  579   HE21  GLN  75          HE22      GLN  75   4.290  -4.248  -4.005
  580   HE22  GLN  75          HE21      GLN  75   5.767  -3.885  -4.887
  581    H    VAL  76           H        VAL  76   5.170  -4.279   2.432
  582    HA   VAL  76           HA       VAL  76   3.640  -6.713   2.793
  583    HB   VAL  76           HB       VAL  76   3.555  -4.002   4.201
  584   HG11  VAL  76          HG11      VAL  76   1.433  -5.123   4.592
  585   HG12  VAL  76          HG12      VAL  76   2.253  -6.654   4.957
  586   HG13  VAL  76          HG13      VAL  76   2.408  -5.264   6.053
  587   HG21  VAL  76          HG21      VAL  76   5.733  -5.194   4.511
  588   HG22  VAL  76          HG22      VAL  76   4.806  -5.057   6.005
  589   HG23  VAL  76          HG23      VAL  76   4.843  -6.599   5.137
  590    H    ASN  77           H        ASN  77   1.494  -6.991   2.253
  591    HA   ASN  77           HA       ASN  77  -0.193  -4.714   1.541
  592    HB2  ASN  77           HB2      ASN  77   0.912  -5.159  -0.636
  593    HB3  ASN  77           HB3      ASN  77   0.338  -6.825  -0.585
  594   HD21  ASN  77          HD21      ASN  77  -0.499  -5.783  -2.768
  595   HD22  ASN  77          HD22      ASN  77  -2.138  -5.140  -2.696
  596    H    ASN  78           H        ASN  78  -1.012  -5.632   3.592
  597    HA   ASN  78           HA       ASN  78  -2.372  -8.214   3.589
  598    HB2  ASN  78           HB2      ASN  78  -2.672  -5.793   5.418
  599    HB3  ASN  78           HB3      ASN  78  -3.528  -7.323   5.604
  600   HD21  ASN  78          HD22      ASN  78  -1.276  -5.823   7.213
  601   HD22  ASN  78          HD21      ASN  78  -0.279  -7.192   7.663
  602    H    LYS  79           H        LYS  79  -3.692  -8.268   1.749
  603    HA   LYS  79           HA       LYS  79  -5.274  -6.052   0.890
  604    HB2  LYS  79           HB2      LYS  79  -5.569  -9.036   0.302
  605    HB3  LYS  79           HB3      LYS  79  -6.525  -7.760  -0.465
  606    HG2  LYS  79           HG2      LYS  79  -4.369  -6.669  -1.223
  607    HG3  LYS  79           HG3      LYS  79  -3.493  -8.060  -0.584
  608    HD2  LYS  79           HD2      LYS  79  -3.748  -8.254  -2.980
  609    HD3  LYS  79           HD3      LYS  79  -4.659  -9.547  -2.186
  610    HE2  LYS  79           HE2      LYS  79  -6.761  -8.430  -2.585
  611    HE3  LYS  79           HE3      LYS  79  -5.954  -6.929  -3.068
  612    HZ1  LYS  79           HZ1      LYS  79  -5.194  -7.989  -5.054
  613    HZ2  LYS  79           HZ2      LYS  79  -5.728  -9.467  -4.592
  614    HZ3  LYS  79           HZ3      LYS  79  -6.796  -8.270  -4.946
  615    H    HIS  80           H        HIS  80  -7.198  -5.278   1.532
  616    HA   HIS  80           HA       HIS  80  -9.046  -4.904   2.810
  617    HB2  HIS  80           HB2      HIS  80  -9.593  -7.744   1.957
  618    HB3  HIS  80           HB3      HIS  80 -10.761  -6.608   2.637
  619    HD2  HIS  80           HD2      HIS  80  -8.964  -7.420  -0.624
  620    HE1  HIS  80           HE1      HIS  80 -11.459  -4.066  -1.448
  621    HE2  HIS  80           HE2      HIS  80  -9.955  -5.840  -2.479
  622    H    ASP  81           H        ASP  81  -6.731  -5.651   4.337
  623    HA   ASP  81           HA       ASP  81  -7.451  -7.074   6.669
  624    HB2  ASP  81           HB2      ASP  81  -5.222  -6.053   5.953
  625    HB3  ASP  81           HB3      ASP  81  -5.816  -4.506   6.542
  626    H    ASP  82           H        ASP  82  -9.062  -4.430   5.388
  627    HA   ASP  82           HA       ASP  82  -9.680  -2.926   7.838
  628    HB2  ASP  82           HB2      ASP  82  -9.561  -1.761   5.679
  629    HB3  ASP  82           HB3      ASP  82 -10.790  -2.834   5.003
  630    H    LYS  83           H        LYS  83 -10.955  -5.577   5.902
  631    HA   LYS  83           HA       LYS  83 -13.350  -5.743   7.712
  632    HB2  LYS  83           HB2      LYS  83 -14.699  -6.286   5.851
  633    HB3  LYS  83           HB3      LYS  83 -13.743  -4.847   5.434
  634    HG2  LYS  83           HG2      LYS  83 -12.145  -6.403   4.223
  635    HG3  LYS  83           HG3      LYS  83 -13.307  -7.704   4.497
  636    HD2  LYS  83           HD2      LYS  83 -13.610  -6.902   2.271
  637    HD3  LYS  83           HD3      LYS  83 -15.019  -6.397   3.218
  638    HE2  LYS  83           HE2      LYS  83 -14.090  -4.119   3.431
  639    HE3  LYS  83           HE3      LYS  83 -12.601  -4.625   2.619
  640    HZ1  LYS  83           HZ1      LYS  83 -15.276  -4.593   1.350
  641    HZ2  LYS  83           HZ2      LYS  83 -14.109  -3.479   1.121
  642    HZ3  LYS  83           HZ3      LYS  83 -13.870  -5.008   0.615
  643    H    TYR  84           H        TYR  84 -10.745  -7.445   6.228
  644    HA   TYR  84           HA       TYR  84 -11.693 -10.057   7.330
  645    HB2  TYR  84           HB2      TYR  84  -9.770  -9.385   5.079
  646    HB3  TYR  84           HB3      TYR  84  -9.971 -11.000   5.745
  647    HD1  TYR  84           HD2      TYR  84 -12.428 -11.905   5.968
  648    HD2  TYR  84           HD1      TYR  84 -11.065  -8.966   3.138
  649    HE1  TYR  84           HE2      TYR  84 -14.335 -12.467   4.478
  650    HE2  TYR  84           HE1      TYR  84 -12.948  -9.517   1.626
  651    HH   TYR  84           HH       TYR  84 -14.847 -10.838   1.310
  652    H    SER  85           H        SER  85  -9.121 -11.213   7.276
  653    HA   SER  85           HA       SER  85  -7.581 -11.849   8.769
  654    HB2  SER  85           HB2      SER  85  -7.182  -8.970   9.571
  655    HB3  SER  85           HB3      SER  85  -6.060 -10.331   9.720
  656    HG   SER  85           HG       SER  85  -6.009  -8.647   7.904
  657    HA   PRO  86           HA       PRO  86 -10.526 -11.477  12.382
  658    HB2  PRO  86           HB2      PRO  86 -11.471 -14.047  12.374
  659    HB3  PRO  86           HB3      PRO  86 -12.258 -12.707  11.472
  660    HG2  PRO  86           HG2      PRO  86 -10.349 -14.819  10.452
  661    HG3  PRO  86           HG3      PRO  86 -11.874 -14.255   9.703
  662    HD2  PRO  86           HD2      PRO  86  -9.420 -13.328   8.928
  663    HD3  PRO  86           HD3      PRO  86 -10.874 -12.284   8.922
  664    H    LEU  87           H        LEU  87  -7.862 -13.252  11.293
  665    HA   LEU  87           HA       LEU  87  -7.592 -14.945  13.680
  666    HB2  LEU  87           HB2      LEU  87  -5.996 -14.704  11.110
  667    HB3  LEU  87           HB3      LEU  87  -5.661 -15.874  12.389
  668    HG   LEU  87           HG       LEU  87  -8.207 -15.701  10.721
  669   HD11  LEU  87          HD11      LEU  87  -5.914 -17.728  10.768
  670   HD12  LEU  87          HD12      LEU  87  -7.400 -17.878   9.809
  671   HD13  LEU  87          HD13      LEU  87  -6.270 -16.556   9.483
  672   HD21  LEU  87          HD21      LEU  87  -7.435 -17.693  12.910
  673   HD22  LEU  87          HD22      LEU  87  -8.822 -16.576  12.918
  674   HD23  LEU  87          HD23      LEU  87  -8.783 -17.910  11.772
  675    HA   PRO  88           HA       PRO  88  -4.558 -12.125  15.576
  676    HB2  PRO  88           HB2      PRO  88  -3.829 -14.721  16.934
  677    HB3  PRO  88           HB3      PRO  88  -4.032 -13.097  17.656
  678    HG2  PRO  88           HG2      PRO  88  -5.970 -14.987  17.917
  679    HG3  PRO  88           HG3      PRO  88  -6.406 -13.279  17.580
  680    HD2  PRO  88           HD2      PRO  88  -6.268 -15.595  15.642
  681    HD3  PRO  88           HD3      PRO  88  -7.484 -14.291  15.776
  682    H    CYS  89           H        CYS  89  -2.231 -11.960  15.487
  683    HA   CYS  89           HA       CYS  89  -0.922 -12.828  13.223
  684    HB2  CYS  89           HB2      CYS  89   0.337 -12.193  15.930
  685    HB3  CYS  89           HB3      CYS  89   1.140 -12.131  14.357
  686    HG   CYS  89           HG       CYS  89   0.648  -9.699  15.219
  687    H    SER  90           H        SER  90  -0.800 -14.387  16.467
  688    HA   SER  90           HA       SER  90   1.108 -16.357  15.871
  689    HB2  SER  90           HB2      SER  90  -0.104 -17.514  17.857
  690    HB3  SER  90           HB3      SER  90   0.617 -15.917  18.132
  691    HG   SER  90           HG       SER  90  -1.508 -16.032  18.959
  692    H    LYS  91           H        LYS  91  -2.451 -16.485  15.594
  693    HA   LYS  91           HA       LYS  91  -2.581 -19.218  14.829
  694    HB2  LYS  91           HB2      LYS  91  -4.537 -16.998  14.145
  695    HB3  LYS  91           HB3      LYS  91  -4.846 -18.731  14.049
  696    HG2  LYS  91           HG2      LYS  91  -4.336 -17.121  16.584
  697    HG3  LYS  91           HG3      LYS  91  -5.869 -17.802  16.039
  698    HD2  LYS  91           HD2      LYS  91  -4.904 -20.102  16.258
  699    HD3  LYS  91           HD3      LYS  91  -3.417 -19.383  16.926
  700    HE2  LYS  91           HE2      LYS  91  -4.731 -18.340  18.749
  701    HE3  LYS  91           HE3      LYS  91  -6.215 -19.039  18.091
  702    HZ1  LYS  91           HZ1      LYS  91  -5.345 -20.368  19.901
  703    HZ2  LYS  91           HZ2      LYS  91  -5.295 -21.243  18.531
  704    HZ3  LYS  91           HZ3      LYS  91  -3.923 -20.596  19.144
  705    H    ILE  92           H        ILE  92  -2.006 -16.271  12.871
  706    HA   ILE  92           HA       ILE  92  -2.312 -17.626  10.347
  707    HB   ILE  92           HB       ILE  92  -0.653 -15.171  11.044
  708   HG12  ILE  92          HG12      ILE  92  -3.402 -15.163   9.735
  709   HG13  ILE  92          HG13      ILE  92  -3.251 -15.101  11.480
  710   HG21  ILE  92          HG21      ILE  92  -0.903 -14.691   8.565
  711   HG22  ILE  92          HG22      ILE  92   0.062 -16.123   8.914
  712   HG23  ILE  92          HG23      ILE  92  -1.618 -16.295   8.377
  713   HD11  ILE  92          HD11      ILE  92  -1.923 -13.074   9.651
  714   HD12  ILE  92          HD12      ILE  92  -3.470 -12.850  10.498
  715   HD13  ILE  92          HD13      ILE  92  -1.966 -13.064  11.411
  716    H    ILE  93           H        ILE  93   0.545 -17.034  12.517
  717    HA   ILE  93           HA       ILE  93   2.414 -18.406  10.864
  718    HB   ILE  93           HB       ILE  93   2.443 -18.224  13.913
  719   HG12  ILE  93          HG12      ILE  93   2.224 -15.994  13.219
  720   HG13  ILE  93          HG13      ILE  93   3.916 -16.226  13.582
  721   HG21  ILE  93          HG21      ILE  93   4.655 -18.651  11.870
  722   HG22  ILE  93          HG22      ILE  93   4.916 -18.328  13.602
  723   HG23  ILE  93          HG23      ILE  93   4.072 -19.795  13.097
  724   HD11  ILE  93          HD11      ILE  93   2.623 -15.997  10.828
  725   HD12  ILE  93          HD12      ILE  93   3.830 -14.941  11.566
  726   HD13  ILE  93          HD13      ILE  93   4.289 -16.567  11.066
  727    H    GLN  94           H        GLN  94   0.322 -19.549  13.520
  728    HA   GLN  94           HA       GLN  94   1.149 -22.236  13.591
  729    HB2  GLN  94           HB2      GLN  94  -1.512 -20.872  14.139
  730    HB3  GLN  94           HB3      GLN  94  -1.367 -22.615  14.269
  731    HG2  GLN  94           HG2      GLN  94   0.255 -20.571  15.843
  732    HG3  GLN  94           HG3      GLN  94  -1.122 -21.495  16.440
  733   HE21  GLN  94          HE21      GLN  94  -0.660 -24.099  15.616
  734   HE22  GLN  94          HE22      GLN  94   0.848 -24.682  16.268
  735    H    ARG  95           H        ARG  95  -1.306 -20.707  11.459
  736    HA   ARG  95           HA       ARG  95  -1.919 -23.129  10.033
  737    HB2  ARG  95           HB2      ARG  95  -2.167 -20.162   9.380
  738    HB3  ARG  95           HB3      ARG  95  -2.493 -21.368   8.150
  739    HG2  ARG  95           HG2      ARG  95  -3.955 -21.277  10.818
  740    HG3  ARG  95           HG3      ARG  95  -4.512 -20.529   9.317
  741    HD2  ARG  95           HD2      ARG  95  -4.165 -22.943   8.281
  742    HD3  ARG  95           HD3      ARG  95  -4.195 -23.476   9.958
  743    HE   ARG  95           HE       ARG  95  -6.454 -23.107  10.045
  744   HH11  ARG  95          HH11      ARG  95  -5.225 -21.455   7.127
  745   HH12  ARG  95          HH12      ARG  95  -6.806 -21.144   6.494
  746   HH21  ARG  95          HH21      ARG  95  -8.548 -22.761   9.084
  747   HH22  ARG  95          HH22      ARG  95  -8.656 -21.958   7.545
  748    H    ALA  96           H        ALA  96   0.436 -20.483   9.271
  749    HA   ALA  96           HA       ALA  96   1.352 -21.604   6.872
  750    HB1  ALA  96           HB1      ALA  96   1.848 -19.289   7.767
  751    HB2  ALA  96           HB2      ALA  96   3.022 -20.020   8.879
  752    HB3  ALA  96           HB3      ALA  96   3.266 -20.133   7.126
  753    H    GLU  97           H        GLU  97   2.509 -22.190  10.182
  754    HA   GLU  97           HA       GLU  97   4.669 -23.918   9.455
  755    HB2  GLU  97           HB2      GLU  97   3.132 -23.438  12.045
  756    HB3  GLU  97           HB3      GLU  97   4.533 -24.494  11.964
  757    HG2  GLU  97           HG2      GLU  97   4.603 -21.553  11.160
  758    HG3  GLU  97           HG3      GLU  97   4.970 -22.139  12.778
  759    H    GLU  98           H        GLU  98   1.185 -24.576   9.901
  760    HA   GLU  98           HA       GLU  98   1.560 -27.419  10.212
  761    HB2  GLU  98           HB2      GLU  98  -0.225 -26.397  11.380
  762    HB3  GLU  98           HB3      GLU  98  -0.716 -25.417   9.995
  763    HG2  GLU  98           HG2      GLU  98  -1.564 -27.260   8.827
  764    HG3  GLU  98           HG3      GLU  98  -0.922 -28.417  10.014
  765    H    LEU  99           H        LEU  99   1.391 -25.053   7.652
  766    HA   LEU  99           HA       LEU  99   0.527 -27.090   5.672
  767    HB2  LEU  99           HB2      LEU  99   0.346 -24.061   5.735
  768    HB3  LEU  99           HB3      LEU  99  -0.189 -25.041   4.382
  769    HG   LEU  99           HG       LEU  99  -1.283 -25.320   7.229
  770   HD11  LEU  99          HD11      LEU  99  -2.444 -23.857   4.824
  771   HD12  LEU  99          HD12      LEU  99  -3.319 -24.206   6.334
  772   HD13  LEU  99          HD13      LEU  99  -1.895 -23.165   6.371
  773   HD21  LEU  99          HD21      LEU  99  -2.362 -26.457   4.610
  774   HD22  LEU  99          HD22      LEU  99  -1.581 -27.397   5.904
  775   HD23  LEU  99          HD23      LEU  99  -3.114 -26.595   6.207
  776    H    VAL 100           H        VAL 100   3.416 -25.235   6.421
  777    HA   VAL 100           HA       VAL 100   4.547 -25.301   3.829
  778    HB   VAL 100           HB       VAL 100   5.493 -24.035   5.661
  779   HG11  VAL 100          HG11      VAL 100   6.284 -26.662   6.984
  780   HG12  VAL 100          HG12      VAL 100   6.741 -25.030   7.513
  781   HG13  VAL 100          HG13      VAL 100   5.050 -25.529   7.571
  782   HG21  VAL 100          HG21      VAL 100   6.996 -24.685   3.845
  783   HG22  VAL 100          HG22      VAL 100   7.869 -24.577   5.382
  784   HG23  VAL 100          HG23      VAL 100   7.468 -26.159   4.725
  785    H    GLY 101           H        GLY 101   5.801 -26.823   2.717
  786    HA2  GLY 101           HA2      GLY 101   6.949 -28.734   2.341
  787    HA3  GLY 101           HA3      GLY 101   6.427 -29.404   3.897
  788    H    GLN 102           H        GLN 102   3.595 -28.380   2.404
  789    HA   GLN 102           HA       GLN 102   2.969 -31.085   1.438
  790    HB2  GLN 102           HB2      GLN 102   0.759 -30.317   1.084
  791    HB3  GLN 102           HB3      GLN 102   1.279 -29.641   2.628
  792    HG2  GLN 102           HG2      GLN 102   1.802 -27.482   1.409
  793    HG3  GLN 102           HG3      GLN 102   1.096 -28.179  -0.049
  794   HE21  GLN 102          HE22      GLN 102   0.456 -26.696   3.009
  795   HE22  GLN 102          HE21      GLN 102  -1.305 -26.686   2.883
  796    H    GLU 103           H        GLU 103   2.375 -31.493  -0.787
  797    HA   GLU 103           HA       GLU 103   3.584 -29.632  -2.784
  798    HB2  GLU 103           HB2      GLU 103   2.901 -32.595  -3.051
  799    HB3  GLU 103           HB3      GLU 103   3.621 -31.563  -4.293
  800    HG2  GLU 103           HG2      GLU 103   5.618 -31.232  -2.806
  801    HG3  GLU 103           HG3      GLU 103   4.910 -32.338  -1.635
  802    H    VAL 104           H        VAL 104   2.207 -28.980  -4.516
  803    HA   VAL 104           HA       VAL 104  -0.642 -29.761  -4.357
  804    HB   VAL 104           HB       VAL 104  -1.118 -27.382  -4.892
  805   HG11  VAL 104          HG11      VAL 104  -1.513 -28.320  -2.634
  806   HG12  VAL 104          HG12      VAL 104   0.124 -27.827  -2.153
  807   HG13  VAL 104          HG13      VAL 104  -1.089 -26.602  -2.568
  808   HG21  VAL 104          HG21      VAL 104   1.123 -26.613  -5.546
  809   HG22  VAL 104          HG22      VAL 104   0.392 -25.596  -4.304
  810   HG23  VAL 104          HG23      VAL 104   1.656 -26.745  -3.847
  811    H    LEU 105           H        LEU 105  -1.786 -29.546  -6.322
  812    HA   LEU 105           HA       LEU 105   0.017 -30.144  -8.600
  813    HB2  LEU 105           HB2      LEU 105  -2.860 -30.892  -8.026
  814    HB3  LEU 105           HB3      LEU 105  -1.925 -31.462  -9.413
  815    HG   LEU 105           HG       LEU 105  -1.374 -32.164  -6.496
  816   HD11  LEU 105          HD11      LEU 105  -2.411 -33.863  -8.804
  817   HD12  LEU 105          HD12      LEU 105  -2.067 -34.427  -7.152
  818   HD13  LEU 105          HD13      LEU 105  -3.371 -33.265  -7.434
  819   HD21  LEU 105          HD21      LEU 105   0.284 -33.777  -7.428
  820   HD22  LEU 105          HD22      LEU 105   0.042 -33.065  -9.040
  821   HD23  LEU 105          HD23      LEU 105   0.746 -32.099  -7.717
  822    H    TYR 106           H        TYR 106  -0.661 -27.521  -7.920
  823    HA   TYR 106           HA       TYR 106  -1.781 -26.661 -10.527
  824    HB2  TYR 106           HB2      TYR 106  -2.592 -24.584  -9.486
  825    HB3  TYR 106           HB3      TYR 106  -3.456 -26.013  -8.980
  826    HD1  TYR 106           HD1      TYR 106  -0.668 -23.728  -7.834
  827    HD2  TYR 106           HD2      TYR 106  -3.897 -26.355  -6.697
  828    HE1  TYR 106           HE1      TYR 106  -0.403 -23.029  -5.476
  829    HE2  TYR 106           HE2      TYR 106  -3.658 -25.640  -4.344
  830    HH   TYR 106           HH       TYR 106  -2.513 -24.259  -2.845
  831    H    LYS 107           H        LYS 107  -0.637 -25.069 -11.565
  832    HA   LYS 107           HA       LYS 107   2.110 -24.979 -11.280
  833    HB2  LYS 107           HB2      LYS 107   0.193 -24.397 -13.158
  834    HB3  LYS 107           HB3      LYS 107   0.404 -22.772 -12.544
  835    HG2  LYS 107           HG2      LYS 107   2.937 -23.170 -13.058
  836    HG3  LYS 107           HG3      LYS 107   2.341 -24.560 -13.967
  837    HD2  LYS 107           HD2      LYS 107   1.738 -21.636 -14.457
  838    HD3  LYS 107           HD3      LYS 107   2.645 -22.717 -15.501
  839    HE2  LYS 107           HE2      LYS 107  -0.359 -22.807 -14.935
  840    HE3  LYS 107           HE3      LYS 107   0.425 -22.241 -16.405
  841    HZ1  LYS 107           HZ1      LYS 107   0.226 -25.045 -15.463
  842    HZ2  LYS 107           HZ2      LYS 107  -0.316 -24.390 -16.841
  843    HZ3  LYS 107           HZ3      LYS 107   1.288 -24.577 -16.650
  844    H    LEU 108           H        LEU 108   3.506 -23.077 -10.930
  845    HA   LEU 108           HA       LEU 108   2.746 -21.275  -8.752
  846    HB2  LEU 108           HB2      LEU 108   5.032 -21.206 -10.804
  847    HB3  LEU 108           HB3      LEU 108   4.742 -19.932  -9.646
  848    HG   LEU 108           HG       LEU 108   6.537 -21.167  -8.834
  849   HD11  LEU 108          HD11      LEU 108   4.114 -22.006  -7.198
  850   HD12  LEU 108          HD12      LEU 108   5.790 -21.906  -6.641
  851   HD13  LEU 108          HD13      LEU 108   4.942 -20.433  -7.115
  852   HD21  LEU 108          HD21      LEU 108   6.293 -23.242 -10.068
  853   HD22  LEU 108          HD22      LEU 108   6.520 -23.572  -8.346
  854   HD23  LEU 108          HD23      LEU 108   4.911 -23.722  -9.072
  855    H    THR 109           H        THR 109   1.322 -19.564  -9.081
  856    HA   THR 109           HA       THR 109   1.618 -17.988 -11.518
  857    HB   THR 109           HB       THR 109  -0.784 -17.738 -11.862
  858    HG1  THR 109           HG1      THR 109  -2.221 -19.168 -10.823
  859   HG21  THR 109          HG21      THR 109   0.367 -19.539 -13.162
  860   HG22  THR 109          HG22      THR 109  -0.165 -20.708 -11.927
  861   HG23  THR 109          HG23      THR 109  -1.360 -19.837 -12.906
  862    H    SER 110           H        SER 110   0.897 -15.795 -11.137
  863    HA   SER 110           HA       SER 110   1.349 -14.678  -8.637
  864    HB2  SER 110           HB2      SER 110  -0.448 -13.732 -10.926
  865    HB3  SER 110           HB3      SER 110   0.255 -12.699  -9.679
  866    HG   SER 110           HG       SER 110   2.307 -13.343 -10.373
  867    H    GLU 111           H        GLU 111  -1.740 -15.819 -10.081
  868    HA   GLU 111           HA       GLU 111  -3.410 -14.893  -7.950
  869    HB2  GLU 111           HB2      GLU 111  -3.836 -17.019 -10.108
  870    HB3  GLU 111           HB3      GLU 111  -5.082 -16.410  -9.027
  871    HG2  GLU 111           HG2      GLU 111  -5.361 -15.282 -11.088
  872    HG3  GLU 111           HG3      GLU 111  -4.769 -14.118  -9.909
  873    H    ASN 112           H        ASN 112  -1.854 -18.121  -8.605
  874    HA   ASN 112           HA       ASN 112  -3.361 -19.438  -6.529
  875    HB2  ASN 112           HB2      ASN 112  -0.779 -20.140  -7.982
  876    HB3  ASN 112           HB3      ASN 112  -1.413 -21.129  -6.677
  877   HD21  ASN 112          HD21      ASN 112  -1.092 -21.892  -9.535
  878   HD22  ASN 112          HD22      ASN 112  -2.701 -22.319 -10.079
  879    H    CYS 113           H        CYS 113  -0.134 -17.843  -6.551
  880    HA   CYS 113           HA       CYS 113   0.460 -18.542  -3.839
  881    HB2  CYS 113           HB2      CYS 113   1.405 -16.130  -5.456
  882    HB3  CYS 113           HB3      CYS 113   2.157 -16.774  -3.988
  883    HG   CYS 113           HG       CYS 113   3.545 -17.458  -6.141
  884    H    GLU 114           H        GLU 114  -1.105 -15.640  -5.315
  885    HA   GLU 114           HA       GLU 114  -1.479 -14.127  -2.969
  886    HB2  GLU 114           HB2      GLU 114  -1.823 -13.351  -5.304
  887    HB3  GLU 114           HB3      GLU 114  -3.256 -14.368  -5.438
  888    HG2  GLU 114           HG2      GLU 114  -4.295 -13.064  -3.557
  889    HG3  GLU 114           HG3      GLU 114  -2.882 -12.005  -3.557
  890    H    HIS 115           H        HIS 115  -3.572 -16.618  -4.489
  891    HA   HIS 115           HA       HIS 115  -5.728 -16.488  -2.671
  892    HB2  HIS 115           HB2      HIS 115  -5.900 -17.604  -4.824
  893    HB3  HIS 115           HB3      HIS 115  -4.647 -18.764  -4.386
  894    HD2  HIS 115           HD2      HIS 115  -5.268 -20.699  -2.605
  895    HE1  HIS 115           HE1      HIS 115  -9.471 -20.013  -2.499
  896    HE2  HIS 115           HE2      HIS 115  -7.589 -21.530  -1.690
  897    H    PHE 116           H        PHE 116  -2.853 -18.723  -2.685
  898    HA   PHE 116           HA       PHE 116  -3.641 -20.083  -0.361
  899    HB2  PHE 116           HB2      PHE 116  -1.946 -21.045  -1.756
  900    HB3  PHE 116           HB3      PHE 116  -0.958 -19.591  -1.688
  901    HD1  PHE 116           HD2      PHE 116  -2.042 -22.584   0.267
  902    HD2  PHE 116           HD1      PHE 116   0.546 -19.136   0.143
  903    HE1  PHE 116           HE2      PHE 116  -0.812 -23.424   2.255
  904    HE2  PHE 116           HE1      PHE 116   1.716 -19.928   2.169
  905    HZ   PHE 116           HZ       PHE 116   1.062 -22.099   3.215
  906    H    VAL 117           H        VAL 117  -1.426 -17.228  -0.569
  907    HA   VAL 117           HA       VAL 117  -0.954 -17.325   2.253
  908    HB   VAL 117           HB       VAL 117  -0.002 -15.134   2.109
  909   HG11  VAL 117          HG11      VAL 117   1.757 -15.561   0.479
  910   HG12  VAL 117          HG12      VAL 117   1.348 -17.032   1.375
  911   HG13  VAL 117          HG13      VAL 117   0.789 -16.809  -0.301
  912   HG21  VAL 117          HG21      VAL 117  -1.614 -14.022   0.549
  913   HG22  VAL 117          HG22      VAL 117   0.075 -13.787   0.100
  914   HG23  VAL 117          HG23      VAL 117  -0.921 -14.955  -0.788
  915    H    ASN 118           H        ASN 118  -3.627 -15.932   0.401
  916    HA   ASN 118           HA       ASN 118  -4.688 -14.462   2.670
  917    HB2  ASN 118           HB2      ASN 118  -5.773 -15.174  -0.060
  918    HB3  ASN 118           HB3      ASN 118  -6.847 -14.594   1.214
  919   HD21  ASN 118          HD22      ASN 118  -3.994 -13.683  -0.751
  920   HD22  ASN 118          HD21      ASN 118  -4.048 -11.979  -0.315
  921    H    GLU 119           H        GLU 119  -4.952 -17.837   1.569
  922    HA   GLU 119           HA       GLU 119  -7.129 -18.503   3.331
  923    HB2  GLU 119           HB2      GLU 119  -4.828 -20.296   2.447
  924    HB3  GLU 119           HB3      GLU 119  -6.292 -20.821   3.264
  925    HG2  GLU 119           HG2      GLU 119  -7.664 -20.054   1.368
  926    HG3  GLU 119           HG3      GLU 119  -6.211 -19.574   0.496
  927    H    LEU 120           H        LEU 120  -3.628 -18.083   3.872
  928    HA   LEU 120           HA       LEU 120  -3.748 -19.105   6.572
  929    HB2  LEU 120           HB2      LEU 120  -1.682 -17.213   5.428
  930    HB3  LEU 120           HB3      LEU 120  -1.500 -18.272   6.830
  931    HG   LEU 120           HG       LEU 120  -1.787 -19.145   3.930
  932   HD11  LEU 120          HD11      LEU 120   0.586 -18.948   5.822
  933   HD12  LEU 120          HD12      LEU 120   0.633 -19.863   4.316
  934   HD13  LEU 120          HD13      LEU 120   0.348 -18.119   4.259
  935   HD21  LEU 120          HD21      LEU 120  -1.187 -21.391   4.719
  936   HD22  LEU 120          HD22      LEU 120  -1.142 -20.810   6.397
  937   HD23  LEU 120          HD23      LEU 120  -2.681 -20.861   5.490
  938    H    ARG 121           H        ARG 121  -3.658 -15.814   5.109
  939    HA   ARG 121           HA       ARG 121  -3.677 -14.411   7.575
  940    HB2  ARG 121           HB2      ARG 121  -3.053 -13.483   5.334
  941    HB3  ARG 121           HB3      ARG 121  -4.748 -13.534   4.850
  942    HG2  ARG 121           HG2      ARG 121  -4.271 -11.276   5.420
  943    HG3  ARG 121           HG3      ARG 121  -5.247 -11.911   6.745
  944    HD2  ARG 121           HD2      ARG 121  -3.090 -12.336   8.007
  945    HD3  ARG 121           HD3      ARG 121  -2.231 -11.502   6.698
  946    HE   ARG 121           HE       ARG 121  -4.431  -9.957   7.787
  947   HH11  ARG 121          HH11      ARG 121  -1.054 -10.847   8.406
  948   HH12  ARG 121          HH12      ARG 121  -0.628  -9.304   9.088
  949   HH21  ARG 121          HH21      ARG 121  -3.908  -7.982   8.885
  950   HH22  ARG 121          HH22      ARG 121  -2.343  -7.791   9.615
  951    H    TYR 122           H        TYR 122  -6.376 -15.533   5.515
  952    HA   TYR 122           HA       TYR 122  -8.306 -14.185   7.322
  953    HB2  TYR 122           HB2      TYR 122  -8.709 -15.700   4.724
  954    HB3  TYR 122           HB3      TYR 122  -9.961 -14.865   5.613
  955    HD1  TYR 122           HD1      TYR 122  -7.305 -12.550   5.837
  956    HD2  TYR 122           HD2      TYR 122 -10.062 -14.307   3.015
  957    HE1  TYR 122           HE1      TYR 122  -7.098 -10.557   4.400
  958    HE2  TYR 122           HE2      TYR 122  -9.880 -12.300   1.586
  959    HH   TYR 122           HH       TYR 122  -7.802  -9.505   2.448
  960    H    GLY 123           H        GLY 123  -7.322 -17.499   6.428
  961    HA2  GLY 123           HA2      GLY 123  -7.947 -19.323   7.982
  962    HA3  GLY 123           HA3      GLY 123  -9.590 -18.643   8.011
  963    H    VAL 124           H        VAL 124  -9.881 -17.875   5.324
  964    HA   VAL 124           HA       VAL 124  -8.941 -19.845   3.470
  965    HB   VAL 124           HB       VAL 124 -10.834 -21.090   4.374
  966   HG11  VAL 124          HG11      VAL 124 -12.664 -18.817   3.521
  967   HG12  VAL 124          HG12      VAL 124 -13.153 -20.396   4.161
  968   HG13  VAL 124          HG13      VAL 124 -12.279 -19.263   5.198
  969   HG21  VAL 124          HG21      VAL 124 -11.463 -20.054   1.590
  970   HG22  VAL 124          HG22      VAL 124 -10.271 -21.312   1.990
  971   HG23  VAL 124          HG23      VAL 124 -11.990 -21.590   2.306
  972    H    ALA 125           H        ALA 125  -8.780 -18.742   1.447
  973    HA   ALA 125           HA       ALA 125  -9.027 -15.910   1.482
  974    HB1  ALA 125           HB1      ALA 125  -7.415 -17.136   0.060
  975    HB2  ALA 125           HB2      ALA 125  -8.764 -17.809  -0.883
  976    HB3  ALA 125           HB3      ALA 125  -8.453 -16.065  -0.901
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1  23.753 -12.538   9.475
    2    H2   MET   1           H2       MET   1  22.833 -12.086   8.196
    3    H3   MET   1           H3       MET   1  24.291 -11.387   8.433
    4    HA   MET   1           HA       MET   1  21.950 -11.131  10.183
    5    HB2  MET   1           HB2      MET   1  24.070 -11.082  11.458
    6    HB3  MET   1           HB3      MET   1  24.684  -9.790  10.422
    7    HG2  MET   1           HG2      MET   1  23.845  -8.938  12.564
    8    HG3  MET   1           HG3      MET   1  22.943  -8.270  11.210
    9    HE1  MET   1           HE1      MET   1  21.928  -7.909  14.124
   10    HE2  MET   1           HE2      MET   1  21.014  -7.370  12.696
   11    HE3  MET   1           HE3      MET   1  20.205  -8.317  13.965
   12    H    ARG   2           H        ARG   2  20.602  -9.386   9.783
   13    HA   ARG   2           HA       ARG   2  21.464  -7.155   8.140
   14    HB2  ARG   2           HB2      ARG   2  20.446  -9.135   6.608
   15    HB3  ARG   2           HB3      ARG   2  18.923  -8.549   7.259
   16    HG2  ARG   2           HG2      ARG   2  20.025  -6.164   6.430
   17    HG3  ARG   2           HG3      ARG   2  20.876  -7.272   5.366
   18    HD2  ARG   2           HD2      ARG   2  18.964  -6.533   4.191
   19    HD3  ARG   2           HD3      ARG   2  18.601  -8.198   4.671
   20    HE   ARG   2           HE       ARG   2  17.445  -6.995   6.714
   21   HH11  ARG   2          HH11      ARG   2  17.293  -5.950   3.323
   22   HH12  ARG   2          HH12      ARG   2  15.819  -5.080   3.518
   23   HH21  ARG   2          HH21      ARG   2  15.536  -5.835   6.996
   24   HH22  ARG   2          HH22      ARG   2  14.773  -5.044   5.662
   25    H    ALA   3           H        ALA   3  19.597  -5.497   8.155
   26    HA   ALA   3           HA       ALA   3  18.335  -5.185  10.692
   27    HB1  ALA   3           HB1      ALA   3  18.778  -3.305   9.142
   28    HB2  ALA   3           HB2      ALA   3  17.658  -4.007   7.947
   29    HB3  ALA   3           HB3      ALA   3  17.043  -3.406   9.494
   30    HA   PRO   4           HA       PRO   4  14.787  -7.906  10.124
   31    HB2  PRO   4           HB2      PRO   4  12.866  -6.742  11.667
   32    HB3  PRO   4           HB3      PRO   4  14.344  -7.450  12.383
   33    HG2  PRO   4           HG2      PRO   4  13.845  -4.533  11.678
   34    HG3  PRO   4           HG3      PRO   4  14.412  -5.208  13.244
   35    HD2  PRO   4           HD2      PRO   4  16.140  -4.253  11.376
   36    HD3  PRO   4           HD3      PRO   4  16.557  -5.688  12.365
   37    H    ILE   5           H        ILE   5  12.302  -7.648   9.483
   38    HA   ILE   5           HA       ILE   5  12.122  -5.670   7.306
   39    HB   ILE   5           HB       ILE   5   9.837  -7.461   8.120
   40   HG12  ILE   5          HG12      ILE   5  11.636  -9.076   7.969
   41   HG13  ILE   5          HG13      ILE   5  10.547  -9.224   6.610
   42   HG21  ILE   5          HG21      ILE   5   9.494  -5.688   6.421
   43   HG22  ILE   5          HG22      ILE   5  10.808  -6.338   5.451
   44   HG23  ILE   5          HG23      ILE   5   9.340  -7.302   5.697
   45   HD11  ILE   5          HD11      ILE   5  12.193  -8.100   5.134
   46   HD12  ILE   5          HD12      ILE   5  13.286  -7.881   6.517
   47   HD13  ILE   5          HD13      ILE   5  12.892  -9.511   5.941
   48    HA   PRO   6           HA       PRO   6  10.819  -3.262  10.794
   49    HB2  PRO   6           HB2      PRO   6  10.774  -0.746   9.777
   50    HB3  PRO   6           HB3      PRO   6  12.277  -1.714   9.923
   51    HG2  PRO   6           HG2      PRO   6  10.543  -1.334   7.458
   52    HG3  PRO   6           HG3      PRO   6  12.321  -1.194   7.594
   53    HD2  PRO   6           HD2      PRO   6  11.039  -3.502   6.745
   54    HD3  PRO   6           HD3      PRO   6  12.602  -3.507   7.615
   55    H    GLU   7           H        GLU   7   8.859  -2.812   7.862
   56    HA   GLU   7           HA       GLU   7   6.743  -1.459   9.269
   57    HB2  GLU   7           HB2      GLU   7   6.920  -2.530   6.438
   58    HB3  GLU   7           HB3      GLU   7   5.504  -1.695   7.087
   59    HG2  GLU   7           HG2      GLU   7   6.921   0.278   7.630
   60    HG3  GLU   7           HG3      GLU   7   8.319  -0.535   6.928
   61    HA   PRO   8           HA       PRO   8   4.117  -5.349   8.802
   62    HB2  PRO   8           HB2      PRO   8   5.119  -7.805   8.184
   63    HB3  PRO   8           HB3      PRO   8   4.799  -6.572   6.947
   64    HG2  PRO   8           HG2      PRO   8   7.443  -7.253   8.265
   65    HG3  PRO   8           HG3      PRO   8   7.105  -6.993   6.526
   66    HD2  PRO   8           HD2      PRO   8   8.118  -5.080   8.236
   67    HD3  PRO   8           HD3      PRO   8   7.148  -4.670   6.794
   68    H    LYS   9           H        LYS   9   3.609  -7.349  10.100
   69    HA   LYS   9           HA       LYS   9   5.493  -7.897  12.352
   70    HB2  LYS   9           HB2      LYS   9   2.460  -7.589  12.487
   71    HB3  LYS   9           HB3      LYS   9   3.452  -8.313  13.759
   72    HG2  LYS   9           HG2      LYS   9   4.708  -6.175  14.010
   73    HG3  LYS   9           HG3      LYS   9   3.727  -5.450  12.732
   74    HD2  LYS   9           HD2      LYS   9   2.881  -4.704  14.844
   75    HD3  LYS   9           HD3      LYS   9   1.682  -5.779  14.110
   76    HE2  LYS   9           HE2      LYS   9   2.455  -7.639  15.568
   77    HE3  LYS   9           HE3      LYS   9   3.697  -6.589  16.261
   78    HZ1  LYS   9           HZ1      LYS   9   1.752  -6.716  17.679
   79    HZ2  LYS   9           HZ2      LYS   9   1.927  -5.189  17.148
   80    HZ3  LYS   9           HZ3      LYS   9   0.775  -6.154  16.502
   81    HA   PRO  10           HA       PRO  10   5.119 -12.037  10.726
   82    HB2  PRO  10           HB2      PRO  10   4.850 -12.862  13.625
   83    HB3  PRO  10           HB3      PRO  10   5.834 -13.611  12.328
   84    HG2  PRO  10           HG2      PRO  10   7.011 -11.959  14.124
   85    HG3  PRO  10           HG3      PRO  10   7.422 -11.798  12.390
   86    HD2  PRO  10           HD2      PRO  10   5.511 -10.120  14.034
   87    HD3  PRO  10           HD3      PRO  10   6.715  -9.608  12.813
   88    H    GLY  11           H        GLY  11   3.377 -13.145   9.921
   89    HA2  GLY  11           HA2      GLY  11   1.186 -13.994   9.906
   90    HA3  GLY  11           HA3      GLY  11   0.706 -12.875  11.195
   91    H    ASP  12           H        ASP  12   2.685 -11.854   8.353
   92    HA   ASP  12           HA       ASP  12   0.384 -10.155   7.449
   93    HB2  ASP  12           HB2      ASP  12   3.250  -9.413   7.994
   94    HB3  ASP  12           HB3      ASP  12   2.358  -8.599   6.728
   95    H    LEU  13           H        LEU  13   0.349  -9.577   5.275
   96    HA   LEU  13           HA       LEU  13   1.301 -11.764   3.496
   97    HB2  LEU  13           HB2      LEU  13  -0.499  -9.350   3.030
   98    HB3  LEU  13           HB3      LEU  13   0.046 -10.448   1.778
   99    HG   LEU  13           HG       LEU  13  -2.110 -10.899   3.829
  100   HD11  LEU  13          HD11      LEU  13  -3.327 -11.629   1.922
  101   HD12  LEU  13          HD12      LEU  13  -2.598 -10.057   1.567
  102   HD13  LEU  13          HD13      LEU  13  -1.883 -11.529   0.882
  103   HD21  LEU  13          HD21      LEU  13  -0.478 -13.050   2.457
  104   HD22  LEU  13          HD22      LEU  13  -0.705 -12.848   4.205
  105   HD23  LEU  13          HD23      LEU  13  -2.079 -13.313   3.194
  106    H    ILE  14           H        ILE  14   2.895 -11.478   2.014
  107    HA   ILE  14           HA       ILE  14   4.074  -8.765   1.635
  108    HB   ILE  14           HB       ILE  14   5.475 -11.473   1.710
  109   HG12  ILE  14          HG12      ILE  14   4.890 -10.854   3.987
  110   HG13  ILE  14          HG13      ILE  14   6.621 -10.808   3.717
  111   HG21  ILE  14          HG21      ILE  14   6.544  -8.670   1.252
  112   HG22  ILE  14          HG22      ILE  14   7.575 -10.084   1.596
  113   HG23  ILE  14          HG23      ILE  14   6.589 -10.039   0.134
  114   HD11  ILE  14          HD11      ILE  14   5.897  -8.935   5.126
  115   HD12  ILE  14          HD12      ILE  14   6.568  -8.327   3.604
  116   HD13  ILE  14          HD13      ILE  14   4.807  -8.363   3.859
  117    H    GLU  15           H        GLU  15   4.214  -8.201  -0.493
  118    HA   GLU  15           HA       GLU  15   3.739 -10.323  -2.532
  119    HB2  GLU  15           HB2      GLU  15   3.040  -8.693  -4.087
  120    HB3  GLU  15           HB3      GLU  15   2.037  -8.532  -2.644
  121    HG2  GLU  15           HG2      GLU  15   3.317  -6.553  -1.939
  122    HG3  GLU  15           HG3      GLU  15   4.448  -6.786  -3.280
  123    H    ILE  16           H        ILE  16   5.171 -10.283  -4.223
  124    HA   ILE  16           HA       ILE  16   7.925  -9.302  -3.673
  125    HB   ILE  16           HB       ILE  16   6.837 -11.969  -4.655
  126   HG12  ILE  16          HG12      ILE  16   6.555 -11.776  -2.220
  127   HG13  ILE  16          HG13      ILE  16   7.617 -13.074  -2.720
  128   HG21  ILE  16          HG21      ILE  16   9.708 -11.049  -4.373
  129   HG22  ILE  16          HG22      ILE  16   9.227 -12.751  -4.573
  130   HG23  ILE  16          HG23      ILE  16   8.867 -11.563  -5.831
  131   HD11  ILE  16          HD11      ILE  16   8.479 -11.900  -0.737
  132   HD12  ILE  16          HD12      ILE  16   9.599 -11.749  -2.102
  133   HD13  ILE  16          HD13      ILE  16   8.550 -10.386  -1.661
  134    H    PHE  17           H        PHE  17   8.279  -7.835  -5.328
  135    HA   PHE  17           HA       PHE  17   6.771  -8.028  -7.865
  136    HB2  PHE  17           HB2      PHE  17   8.326  -5.981  -6.480
  137    HB3  PHE  17           HB3      PHE  17   8.908  -6.188  -8.122
  138    HD1  PHE  17           HD2      PHE  17   7.475  -5.744 -10.064
  139    HD2  PHE  17           HD1      PHE  17   6.001  -5.160  -6.038
  140    HE1  PHE  17           HE2      PHE  17   5.557  -4.441 -10.947
  141    HE2  PHE  17           HE1      PHE  17   4.094  -3.864  -6.939
  142    HZ   PHE  17           HZ       PHE  17   3.865  -3.496  -9.386
  143    H    ARG  18           H        ARG  18   7.600  -8.924  -9.792
  144    HA   ARG  18           HA       ARG  18  10.341 -10.051  -9.652
  145    HB2  ARG  18           HB2      ARG  18   7.707 -11.284 -10.608
  146    HB3  ARG  18           HB3      ARG  18   9.279 -12.002 -10.875
  147    HG2  ARG  18           HG2      ARG  18   9.158 -11.428  -8.089
  148    HG3  ARG  18           HG3      ARG  18   7.588 -12.093  -8.497
  149    HD2  ARG  18           HD2      ARG  18   8.462 -14.145  -9.078
  150    HD3  ARG  18           HD3      ARG  18  10.050 -13.480  -9.548
  151    HE   ARG  18           HE       ARG  18  10.203 -12.997  -6.971
  152   HH11  ARG  18          HH21      ARG  18   9.133 -15.966  -8.596
  153   HH12  ARG  18          HH22      ARG  18   9.683 -17.019  -7.344
  154   HH21  ARG  18          HH11      ARG  18  10.991 -14.373  -5.324
  155   HH22  ARG  18          HH12      ARG  18  10.788 -16.087  -5.455
  156    HA   PRO  19           HA       PRO  19  11.568  -8.263 -13.240
  157    HB2  PRO  19           HB2      PRO  19  11.447 -10.855 -14.806
  158    HB3  PRO  19           HB3      PRO  19  12.733  -9.604 -14.814
  159    HG2  PRO  19           HG2      PRO  19  13.024 -11.808 -13.279
  160    HG3  PRO  19           HG3      PRO  19  13.415 -10.196 -12.593
  161    HD2  PRO  19           HD2      PRO  19  10.958 -11.885 -12.156
  162    HD3  PRO  19           HD3      PRO  19  11.858 -10.877 -11.000
  163    H    PHE  20           H        PHE  20   8.819 -10.352 -14.098
  164    HA   PHE  20           HA       PHE  20   7.694  -8.168 -15.780
  165    HB2  PHE  20           HB2      PHE  20   7.811 -11.102 -16.591
  166    HB3  PHE  20           HB3      PHE  20   7.100  -9.793 -17.520
  167    HD1  PHE  20           HD1      PHE  20   8.635  -7.889 -18.359
  168    HD2  PHE  20           HD2      PHE  20  10.112 -11.673 -16.898
  169    HE1  PHE  20           HE1      PHE  20  10.796  -7.498 -19.517
  170    HE2  PHE  20           HE2      PHE  20  12.271 -11.272 -18.052
  171    HZ   PHE  20           HZ       PHE  20  12.619  -9.184 -19.362
  172    H    TYR  21           H        TYR  21   7.086  -9.502 -12.976
  173    HA   TYR  21           HA       TYR  21   4.241  -9.811 -13.236
  174    HB2  TYR  21           HB2      TYR  21   3.992 -12.122 -12.759
  175    HB3  TYR  21           HB3      TYR  21   4.972 -11.992 -14.185
  176    HD1  TYR  21           HD2      TYR  21   7.663 -12.046 -13.686
  177    HD2  TYR  21           HD1      TYR  21   4.617 -13.681 -11.130
  178    HE1  TYR  21           HE2      TYR  21   9.242 -13.804 -12.948
  179    HE2  TYR  21           HE1      TYR  21   6.202 -15.388 -10.313
  180    HH   TYR  21           HH       TYR  21   9.548 -15.689 -11.592
  181    H    ARG  22           H        ARG  22   3.719 -11.269 -10.889
  182    HA   ARG  22           HA       ARG  22   5.409 -10.142  -8.784
  183    HB2  ARG  22           HB2      ARG  22   3.461  -9.268  -7.516
  184    HB3  ARG  22           HB3      ARG  22   3.817  -8.388  -8.988
  185    HG2  ARG  22           HG2      ARG  22   1.535  -8.440  -9.097
  186    HG3  ARG  22           HG3      ARG  22   1.911  -9.850 -10.076
  187    HD2  ARG  22           HD2      ARG  22   1.577 -11.243  -7.938
  188    HD3  ARG  22           HD3      ARG  22   1.006  -9.763  -7.174
  189    HE   ARG  22           HE       ARG  22  -0.239 -10.912  -9.655
  190   HH11  ARG  22          HH21      ARG  22  -0.853  -9.158  -6.660
  191   HH12  ARG  22          HH22      ARG  22  -2.418  -9.875  -6.376
  192   HH21  ARG  22          HH11      ARG  22  -2.419 -11.716  -9.392
  193   HH22  ARG  22          HH12      ARG  22  -3.279 -11.375  -7.921
  194    H    HIS  23           H        HIS  23   5.144 -11.268  -6.812
  195    HA   HIS  23           HA       HIS  23   3.815 -13.916  -6.947
  196    HB2  HIS  23           HB2      HIS  23   6.141 -14.205  -7.681
  197    HB3  HIS  23           HB3      HIS  23   6.746 -13.304  -6.301
  198    HD2  HIS  23           HD2      HIS  23   7.922 -15.002  -4.719
  199    HE1  HIS  23           HE1      HIS  23   5.062 -18.147  -4.791
  200    HE2  HIS  23           HE2      HIS  23   7.249 -17.362  -3.773
  201    H    TRP  24           H        TRP  24   4.029 -14.884  -4.551
  202    HA   TRP  24           HA       TRP  24   3.529 -12.695  -2.593
  203    HB2  TRP  24           HB2      TRP  24   1.621 -14.895  -3.441
  204    HB3  TRP  24           HB3      TRP  24   1.498 -14.072  -1.904
  205    HD1  TRP  24           HD1      TRP  24   0.968 -13.466  -5.624
  206    HE1  TRP  24           HE1      TRP  24  -0.406 -11.328  -5.916
  207    HE3  TRP  24           HE3      TRP  24   1.120 -11.794  -0.837
  208    HZ2  TRP  24           HZ2      TRP  24  -1.367  -9.133  -4.229
  209    HZ3  TRP  24           HZ3      TRP  24  -0.006  -9.640  -0.192
  210    HH2  TRP  24           HH2      TRP  24  -1.269  -8.356  -1.871
  211    H    ALA  25           H        ALA  25   3.752 -13.222  -0.481
  212    HA   ALA  25           HA       ALA  25   4.445 -15.929   0.384
  213    HB1  ALA  25           HB1      ALA  25   6.331 -13.552   0.804
  214    HB2  ALA  25           HB2      ALA  25   6.571 -15.239   1.313
  215    HB3  ALA  25           HB3      ALA  25   6.604 -14.833  -0.400
  216    H    ILE  26           H        ILE  26   4.630 -15.853   2.877
  217    HA   ILE  26           HA       ILE  26   3.185 -13.546   4.060
  218    HB   ILE  26           HB       ILE  26   1.723 -15.476   3.570
  219   HG12  ILE  26          HG12      ILE  26   2.024 -14.884   6.542
  220   HG13  ILE  26          HG13      ILE  26   1.259 -13.827   5.339
  221   HG21  ILE  26          HG21      ILE  26   1.809 -17.552   4.763
  222   HG22  ILE  26          HG22      ILE  26   3.341 -17.327   3.956
  223   HG23  ILE  26          HG23      ILE  26   3.216 -17.032   5.703
  224   HD11  ILE  26          HD11      ILE  26   0.332 -16.584   6.160
  225   HD12  ILE  26          HD12      ILE  26  -0.515 -15.033   6.366
  226   HD13  ILE  26          HD13      ILE  26  -0.286 -15.716   4.737
  227    H    TYR  27           H        TYR  27   4.123 -12.740   5.810
  228    HA   TYR  27           HA       TYR  27   6.839 -13.550   6.501
  229    HB2  TYR  27           HB2      TYR  27   6.080 -11.222   6.100
  230    HB3  TYR  27           HB3      TYR  27   4.928 -11.357   7.413
  231    HD1  TYR  27           HD2      TYR  27   8.645 -12.110   7.071
  232    HD2  TYR  27           HD1      TYR  27   5.532  -9.910   9.078
  233    HE1  TYR  27           HE2      TYR  27  10.329 -11.051   8.528
  234    HE2  TYR  27           HE1      TYR  27   7.225  -8.830  10.541
  235    HH   TYR  27           HH       TYR  27  10.710  -9.628  10.351
  236    H    VAL  28           H        VAL  28   7.365 -14.838   8.203
  237    HA   VAL  28           HA       VAL  28   5.297 -15.393  10.289
  238    HB   VAL  28           HB       VAL  28   5.792 -17.820  10.018
  239   HG11  VAL  28          HG11      VAL  28   4.442 -18.187   8.024
  240   HG12  VAL  28          HG12      VAL  28   3.768 -16.885   9.024
  241   HG13  VAL  28          HG13      VAL  28   4.650 -16.504   7.534
  242   HG21  VAL  28          HG21      VAL  28   8.027 -17.486   8.811
  243   HG22  VAL  28          HG22      VAL  28   6.936 -18.708   8.155
  244   HG23  VAL  28          HG23      VAL  28   7.078 -17.128   7.353
  245    H    GLY  29           H        GLY  29   8.368 -14.283   9.951
  246    HA2  GLY  29           HA2      GLY  29   9.143 -15.090  12.637
  247    HA3  GLY  29           HA3      GLY  29  10.215 -15.686  11.348
  248    H    ASP  30           H        ASP  30  11.664 -14.056  12.718
  249    HA   ASP  30           HA       ASP  30  11.140 -11.284  12.555
  250    HB2  ASP  30           HB2      ASP  30  12.731 -12.297  14.136
  251    HB3  ASP  30           HB3      ASP  30  13.792 -12.766  12.805
  252    H    GLY  31           H        GLY  31  12.692 -13.438  10.238
  253    HA2  GLY  31           HA2      GLY  31  12.591 -11.318   8.165
  254    HA3  GLY  31           HA3      GLY  31  14.137 -12.108   8.488
  255    H    TYR  32           H        TYR  32  11.394 -14.229   8.895
  256    HA   TYR  32           HA       TYR  32  12.125 -15.568   6.328
  257    HB2  TYR  32           HB2      TYR  32  11.182 -16.661   8.996
  258    HB3  TYR  32           HB3      TYR  32  11.103 -17.592   7.511
  259    HD1  TYR  32           HD1      TYR  32  13.444 -15.945   9.882
  260    HD2  TYR  32           HD2      TYR  32  13.038 -18.560   6.475
  261    HE1  TYR  32           HE1      TYR  32  15.822 -16.624  10.125
  262    HE2  TYR  32           HE2      TYR  32  15.406 -19.244   6.704
  263    HH   TYR  32           HH       TYR  32  17.383 -18.997   7.917
  264    H    VAL  33           H        VAL  33  10.541 -16.542   5.105
  265    HA   VAL  33           HA       VAL  33   7.739 -15.753   5.636
  266    HB   VAL  33           HB       VAL  33   7.494 -15.348   3.202
  267   HG11  VAL  33          HG11      VAL  33   8.539 -13.093   3.119
  268   HG12  VAL  33          HG12      VAL  33   7.583 -13.402   4.556
  269   HG13  VAL  33          HG13      VAL  33   9.358 -13.456   4.658
  270   HG21  VAL  33          HG21      VAL  33  10.541 -15.281   3.105
  271   HG22  VAL  33          HG22      VAL  33   9.512 -16.509   2.348
  272   HG23  VAL  33          HG23      VAL  33   9.438 -14.836   1.786
  273    H    VAL  34           H        VAL  34   6.191 -17.144   4.690
  274    HA   VAL  34           HA       VAL  34   7.152 -19.760   3.663
  275    HB   VAL  34           HB       VAL  34   4.756 -18.873   5.287
  276   HG11  VAL  34          HG11      VAL  34   4.839 -21.374   3.562
  277   HG12  VAL  34          HG12      VAL  34   3.688 -21.096   4.891
  278   HG13  VAL  34          HG13      VAL  34   3.659 -20.043   3.472
  279   HG21  VAL  34          HG21      VAL  34   6.875 -19.812   6.270
  280   HG22  VAL  34          HG22      VAL  34   5.419 -20.733   6.688
  281   HG23  VAL  34          HG23      VAL  34   6.516 -21.339   5.436
  282    H    HIS  35           H        HIS  35   6.403 -20.354   1.596
  283    HA   HIS  35           HA       HIS  35   4.424 -18.739   0.221
  284    HB2  HIS  35           HB2      HIS  35   5.778 -17.752  -1.444
  285    HB3  HIS  35           HB3      HIS  35   6.497 -17.298   0.087
  286    HD2  HIS  35           HD2      HIS  35   8.399 -19.940   0.509
  287    HE1  HIS  35           HE1      HIS  35  10.138 -18.728  -3.179
  288    HE2  HIS  35           HE2      HIS  35  10.496 -20.108  -1.096
  289    H    LEU  36           H        LEU  36   4.326 -19.475  -2.197
  290    HA   LEU  36           HA       LEU  36   4.695 -22.413  -2.312
  291    HB2  LEU  36           HB2      LEU  36   3.294 -20.374  -4.080
  292    HB3  LEU  36           HB3      LEU  36   3.758 -21.941  -4.711
  293    HG   LEU  36           HG       LEU  36   1.444 -21.977  -4.139
  294   HD11  LEU  36          HD11      LEU  36   2.968 -23.639  -2.074
  295   HD12  LEU  36          HD12      LEU  36   1.345 -23.934  -2.688
  296   HD13  LEU  36          HD13      LEU  36   2.737 -24.084  -3.775
  297   HD21  LEU  36          HD21      LEU  36   0.600 -21.736  -1.921
  298   HD22  LEU  36          HD22      LEU  36   2.206 -21.410  -1.249
  299   HD23  LEU  36          HD23      LEU  36   1.454 -20.247  -2.371
  300    H    ALA  37           H        ALA  37   6.228 -23.354  -3.523
  301    HA   ALA  37           HA       ALA  37   7.952 -21.789  -5.348
  302    HB1  ALA  37           HB1      ALA  37   8.906 -23.555  -3.044
  303    HB2  ALA  37           HB2      ALA  37   9.962 -22.780  -4.232
  304    HB3  ALA  37           HB3      ALA  37   9.039 -21.784  -3.095
  305    HA   PRO  38           HA       PRO  38   7.619 -25.637  -7.639
  306    HB2  PRO  38           HB2      PRO  38  10.190 -26.134  -8.573
  307    HB3  PRO  38           HB3      PRO  38   9.053 -24.947  -9.280
  308    HG2  PRO  38           HG2      PRO  38  11.274 -24.448  -7.280
  309    HG3  PRO  38           HG3      PRO  38  10.893 -23.522  -8.769
  310    HD2  PRO  38           HD2      PRO  38  10.073 -22.655  -6.355
  311    HD3  PRO  38           HD3      PRO  38   8.984 -22.528  -7.762
  312    HA   PRO  39           HA       PRO  39   8.527 -28.759  -4.735
  313    HB2  PRO  39           HB2      PRO  39   8.713 -31.086  -6.226
  314    HB3  PRO  39           HB3      PRO  39   7.184 -30.220  -5.895
  315    HG2  PRO  39           HG2      PRO  39   8.929 -30.029  -8.363
  316    HG3  PRO  39           HG3      PRO  39   7.150 -30.234  -8.276
  317    HD2  PRO  39           HD2      PRO  39   8.285 -27.801  -8.680
  318    HD3  PRO  39           HD3      PRO  39   6.831 -27.974  -7.651
  319    H    SER  40           H        SER  40  10.297 -29.511  -3.631
  320    HA   SER  40           HA       SER  40  12.928 -29.014  -4.632
  321    HB2  SER  40           HB2      SER  40  12.105 -30.625  -2.192
  322    HB3  SER  40           HB3      SER  40  13.617 -29.737  -2.445
  323    HG   SER  40           HG       SER  40  12.102 -28.630  -1.118
  324    H    GLU  41           H        GLU  41  10.842 -31.732  -5.012
  325    HA   GLU  41           HA       GLU  41  12.602 -33.918  -4.759
  326    HB2  GLU  41           HB2      GLU  41  10.142 -33.556  -6.529
  327    HB3  GLU  41           HB3      GLU  41  10.945 -35.100  -6.206
  328    HG2  GLU  41           HG2      GLU  41  10.521 -34.798  -3.765
  329    HG3  GLU  41           HG3      GLU  41   9.653 -33.299  -4.107
  330    H    VAL  42           H        VAL  42  14.091 -34.847  -6.097
  331    HA   VAL  42           HA       VAL  42  15.104 -33.408  -8.386
  332    HB   VAL  42           HB       VAL  42  16.599 -35.413  -8.590
  333   HG11  VAL  42          HG11      VAL  42  17.242 -33.439  -7.252
  334   HG12  VAL  42          HG12      VAL  42  16.498 -34.155  -5.808
  335   HG13  VAL  42          HG13      VAL  42  17.903 -34.932  -6.568
  336   HG21  VAL  42          HG21      VAL  42  15.065 -37.137  -7.583
  337   HG22  VAL  42          HG22      VAL  42  16.678 -37.111  -6.861
  338   HG23  VAL  42          HG23      VAL  42  15.316 -36.392  -5.990
  339    H    ALA  43           H        ALA  43  15.483 -34.596 -10.443
  340    HA   ALA  43           HA       ALA  43  13.199 -35.198 -11.891
  341    HB1  ALA  43           HB1      ALA  43  14.799 -36.208 -13.528
  342    HB2  ALA  43           HB2      ALA  43  15.364 -34.649 -12.892
  343    HB3  ALA  43           HB3      ALA  43  16.066 -36.163 -12.276
  344    H    GLY  44           H        GLY  44  15.301 -37.498 -10.099
  345    HA2  GLY  44           HA2      GLY  44  14.227 -39.926 -10.928
  346    HA3  GLY  44           HA3      GLY  44  14.938 -39.608  -9.339
  347    H    ALA  45           H        ALA  45  12.576 -37.517  -8.987
  348    HA   ALA  45           HA       ALA  45  10.316 -39.388  -8.580
  349    HB1  ALA  45           HB1      ALA  45  10.008 -38.517  -6.294
  350    HB2  ALA  45           HB2      ALA  45  11.603 -39.271  -6.457
  351    HB3  ALA  45           HB3      ALA  45  11.455 -37.498  -6.469
  352    H    GLY  46           H        GLY  46  11.100 -36.971 -10.449
  353    HA2  GLY  46           HA2      GLY  46   8.527 -35.653 -10.441
  354    HA3  GLY  46           HA3      GLY  46   9.768 -34.670  -9.652
  355    H    ALA  47           H        ALA  47  10.593 -36.794 -12.403
  356    HA   ALA  47           HA       ALA  47  11.638 -34.658 -13.977
  357    HB1  ALA  47           HB1      ALA  47  12.381 -36.998 -14.241
  358    HB2  ALA  47           HB2      ALA  47  10.755 -37.464 -14.799
  359    HB3  ALA  47           HB3      ALA  47  11.759 -36.368 -15.770
  360    H    ALA  48           H        ALA  48  10.866 -33.827 -15.993
  361    HA   ALA  48           HA       ALA  48   8.084 -33.125 -16.080
  362    HB1  ALA  48           HB1      ALA  48  10.284 -32.892 -18.189
  363    HB2  ALA  48           HB2      ALA  48   8.715 -32.081 -18.242
  364    HB3  ALA  48           HB3      ALA  48   9.869 -31.666 -16.963
  365    H    SER  49           H        SER  49   9.877 -35.832 -17.382
  366    HA   SER  49           HA       SER  49   9.500 -37.464 -18.844
  367    HB2  SER  49           HB2      SER  49   6.532 -36.963 -18.441
  368    HB3  SER  49           HB3      SER  49   7.303 -38.445 -19.023
  369    HG   SER  49           HG       SER  49   6.787 -38.535 -16.787
  370    H    VAL  50           H        VAL  50   9.431 -34.491 -19.774
  371    HA   VAL  50           HA       VAL  50   9.251 -35.158 -22.589
  372    HB   VAL  50           HB       VAL  50   8.082 -33.028 -23.145
  373   HG11  VAL  50          HG11      VAL  50   6.845 -35.182 -23.157
  374   HG12  VAL  50          HG12      VAL  50   6.300 -34.856 -21.494
  375   HG13  VAL  50          HG13      VAL  50   5.817 -33.780 -22.818
  376   HG21  VAL  50          HG21      VAL  50   6.720 -31.838 -21.529
  377   HG22  VAL  50          HG22      VAL  50   7.232 -32.921 -20.224
  378   HG23  VAL  50          HG23      VAL  50   8.402 -31.823 -20.982
  379    H    MET  51           H        MET  51  10.362 -33.285 -23.845
  380    HA   MET  51           HA       MET  51  12.867 -32.701 -22.618
  381    HB2  MET  51           HB2      MET  51  11.574 -31.446 -25.088
  382    HB3  MET  51           HB3      MET  51  13.260 -31.299 -24.610
  383    HG2  MET  51           HG2      MET  51  13.266 -32.942 -26.271
  384    HG3  MET  51           HG3      MET  51  13.480 -33.799 -24.755
  385    HE1  MET  51           HE1      MET  51   9.716 -33.940 -27.481
  386    HE2  MET  51           HE2      MET  51  10.148 -32.454 -26.612
  387    HE3  MET  51           HE3      MET  51  11.236 -33.103 -27.862
  388    H    SER  52           H        SER  52   9.877 -30.765 -23.027
  389    HA   SER  52           HA       SER  52  10.871 -28.263 -22.189
  390    HB2  SER  52           HB2      SER  52   8.058 -29.356 -21.787
  391    HB3  SER  52           HB3      SER  52   8.543 -27.669 -22.034
  392    HG   SER  52           HG       SER  52   7.718 -28.605 -23.950
  393    H    ALA  53           H        ALA  53  10.430 -27.138 -20.141
  394    HA   ALA  53           HA       ALA  53  10.950 -28.725 -17.763
  395    HB1  ALA  53           HB1      ALA  53  10.396 -25.743 -18.107
  396    HB2  ALA  53           HB2      ALA  53  11.066 -26.532 -16.664
  397    HB3  ALA  53           HB3      ALA  53  12.000 -26.514 -18.167
  398    H    LEU  54           H        LEU  54   8.498 -29.546 -18.900
  399    HA   LEU  54           HA       LEU  54   6.174 -28.178 -18.002
  400    HB2  LEU  54           HB2      LEU  54   6.133 -29.800 -19.836
  401    HB3  LEU  54           HB3      LEU  54   6.651 -31.088 -18.743
  402    HG   LEU  54           HG       LEU  54   4.527 -30.922 -17.485
  403   HD11  LEU  54          HD11      LEU  54   3.752 -28.844 -19.584
  404   HD12  LEU  54          HD12      LEU  54   2.635 -29.613 -18.436
  405   HD13  LEU  54          HD13      LEU  54   3.917 -28.564 -17.836
  406   HD21  LEU  54          HD21      LEU  54   4.744 -32.490 -19.369
  407   HD22  LEU  54          HD22      LEU  54   3.087 -31.886 -19.225
  408   HD23  LEU  54          HD23      LEU  54   4.157 -31.243 -20.492
  409    H    THR  55           H        THR  55   5.421 -27.954 -15.996
  410    HA   THR  55           HA       THR  55   5.502 -30.140 -14.066
  411    HB   THR  55           HB       THR  55   6.230 -27.340 -13.165
  412    HG1  THR  55           HG1      THR  55   7.864 -27.966 -14.622
  413   HG21  THR  55          HG21      THR  55   7.287 -28.541 -11.257
  414   HG22  THR  55          HG22      THR  55   5.564 -28.887 -11.397
  415   HG23  THR  55          HG23      THR  55   6.754 -30.088 -11.952
  416    H    ASP  56           H        ASP  56   3.661 -29.855 -12.601
  417    HA   ASP  56           HA       ASP  56   1.975 -27.512 -13.044
  418    HB2  ASP  56           HB2      ASP  56   1.379 -29.256 -14.807
  419    HB3  ASP  56           HB3      ASP  56   0.798 -30.278 -13.485
  420    H    LYS  57           H        LYS  57   3.508 -28.607 -10.839
  421    HA   LYS  57           HA       LYS  57   1.391 -28.451  -8.823
  422    HB2  LYS  57           HB2      LYS  57   1.897 -30.345  -7.712
  423    HB3  LYS  57           HB3      LYS  57   2.228 -30.888  -9.350
  424    HG2  LYS  57           HG2      LYS  57   4.650 -30.655  -8.956
  425    HG3  LYS  57           HG3      LYS  57   4.340 -29.987  -7.335
  426    HD2  LYS  57           HD2      LYS  57   3.130 -32.084  -6.718
  427    HD3  LYS  57           HD3      LYS  57   3.585 -32.779  -8.288
  428    HE2  LYS  57           HE2      LYS  57   5.973 -32.570  -7.707
  429    HE3  LYS  57           HE3      LYS  57   5.553 -31.752  -6.193
  430    HZ1  LYS  57           HZ1      LYS  57   4.477 -33.769  -5.433
  431    HZ2  LYS  57           HZ2      LYS  57   4.842 -34.546  -6.840
  432    HZ3  LYS  57           HZ3      LYS  57   6.047 -34.072  -5.835
  433    H    ALA  58           H        ALA  58   2.218 -27.747  -6.782
  434    HA   ALA  58           HA       ALA  58   4.923 -26.502  -6.769
  435    HB1  ALA  58           HB1      ALA  58   4.017 -24.425  -5.868
  436    HB2  ALA  58           HB2      ALA  58   3.224 -24.765  -7.420
  437    HB3  ALA  58           HB3      ALA  58   2.362 -25.078  -5.911
  438    H    ILE  59           H        ILE  59   5.439 -25.781  -4.436
  439    HA   ILE  59           HA       ILE  59   4.148 -27.490  -2.393
  440    HB   ILE  59           HB       ILE  59   7.046 -27.536  -3.258
  441   HG12  ILE  59          HG12      ILE  59   4.916 -29.538  -2.613
  442   HG13  ILE  59          HG13      ILE  59   5.635 -29.239  -4.196
  443   HG21  ILE  59          HG21      ILE  59   6.065 -28.482  -0.520
  444   HG22  ILE  59          HG22      ILE  59   7.709 -28.667  -1.160
  445   HG23  ILE  59          HG23      ILE  59   7.104 -27.068  -0.784
  446   HD11  ILE  59          HD11      ILE  59   6.457 -31.342  -3.438
  447   HD12  ILE  59          HD12      ILE  59   7.808 -30.208  -3.218
  448   HD13  ILE  59          HD13      ILE  59   6.825 -30.718  -1.825
  449    H    VAL  60           H        VAL  60   4.243 -26.701  -0.392
  450    HA   VAL  60           HA       VAL  60   4.630 -23.774  -0.186
  451    HB   VAL  60           HB       VAL  60   3.747 -25.780   1.909
  452   HG11  VAL  60          HG11      VAL  60   2.836 -23.815   3.075
  453   HG12  VAL  60          HG12      VAL  60   4.557 -23.565   2.773
  454   HG13  VAL  60          HG13      VAL  60   3.362 -22.749   1.748
  455   HG21  VAL  60          HG21      VAL  60   1.967 -24.068   0.116
  456   HG22  VAL  60          HG22      VAL  60   2.107 -25.844   0.063
  457   HG23  VAL  60          HG23      VAL  60   1.430 -25.062   1.486
  458    H    LYS  61           H        LYS  61   6.557 -22.965   0.455
  459    HA   LYS  61           HA       LYS  61   8.521 -24.710   1.876
  460    HB2  LYS  61           HB2      LYS  61   8.697 -23.638  -0.759
  461    HB3  LYS  61           HB3      LYS  61   9.620 -22.520   0.215
  462    HG2  LYS  61           HG2      LYS  61  11.186 -24.113  -0.548
  463    HG3  LYS  61           HG3      LYS  61  10.909 -24.505   1.144
  464    HD2  LYS  61           HD2      LYS  61  10.959 -26.586  -0.042
  465    HD3  LYS  61           HD3      LYS  61   9.286 -26.301   0.403
  466    HE2  LYS  61           HE2      LYS  61   9.221 -27.113  -1.812
  467    HE3  LYS  61           HE3      LYS  61   8.895 -25.387  -1.950
  468    HZ1  LYS  61           HZ1      LYS  61  10.454 -26.084  -3.626
  469    HZ2  LYS  61           HZ2      LYS  61  11.315 -25.167  -2.565
  470    HZ3  LYS  61           HZ3      LYS  61  11.430 -26.811  -2.534
  471    H    LYS  62           H        LYS  62  10.111 -23.368   3.143
  472    HA   LYS  62           HA       LYS  62   9.098 -20.688   3.907
  473    HB2  LYS  62           HB2      LYS  62   8.475 -22.288   5.683
  474    HB3  LYS  62           HB3      LYS  62  10.140 -22.866   5.780
  475    HG2  LYS  62           HG2      LYS  62  10.881 -20.653   6.591
  476    HG3  LYS  62           HG3      LYS  62   9.234 -20.018   6.410
  477    HD2  LYS  62           HD2      LYS  62   8.411 -21.703   8.043
  478    HD3  LYS  62           HD3      LYS  62  10.064 -22.323   8.232
  479    HE2  LYS  62           HE2      LYS  62  10.798 -20.103   9.077
  480    HE3  LYS  62           HE3      LYS  62   9.152 -19.484   8.867
  481    HZ1  LYS  62           HZ1      LYS  62   9.959 -21.644  10.721
  482    HZ2  LYS  62           HZ2      LYS  62   9.471 -20.146  11.142
  483    HZ3  LYS  62           HZ3      LYS  62   8.405 -21.199  10.457
  484    H    GLU  63           H        GLU  63  10.753 -19.171   3.834
  485    HA   GLU  63           HA       GLU  63  13.559 -20.014   3.639
  486    HB2  GLU  63           HB2      GLU  63  12.013 -18.803   1.293
  487    HB3  GLU  63           HB3      GLU  63  13.777 -18.851   1.409
  488    HG2  GLU  63           HG2      GLU  63  13.639 -21.366   1.601
  489    HG3  GLU  63           HG3      GLU  63  11.906 -21.249   1.265
  490    H    LEU  64           H        LEU  64  14.961 -18.093   3.533
  491    HA   LEU  64           HA       LEU  64  14.050 -15.967   5.253
  492    HB2  LEU  64           HB2      LEU  64  16.409 -16.941   5.091
  493    HB3  LEU  64           HB3      LEU  64  16.547 -16.178   3.507
  494    HG   LEU  64           HG       LEU  64  16.173 -13.932   4.663
  495   HD11  LEU  64          HD11      LEU  64  15.165 -14.871   6.800
  496   HD12  LEU  64          HD12      LEU  64  16.751 -15.542   7.196
  497   HD13  LEU  64          HD13      LEU  64  16.531 -13.784   7.071
  498   HD21  LEU  64          HD21      LEU  64  18.404 -14.676   3.990
  499   HD22  LEU  64          HD22      LEU  64  18.516 -13.892   5.577
  500   HD23  LEU  64          HD23      LEU  64  18.565 -15.658   5.461
  501    H    LEU  65           H        LEU  65  13.304 -13.930   4.670
  502    HA   LEU  65           HA       LEU  65  11.928 -13.685   2.272
  503    HB2  LEU  65           HB2      LEU  65  11.420 -12.442   4.308
  504    HB3  LEU  65           HB3      LEU  65  12.874 -11.469   4.147
  505    HG   LEU  65           HG       LEU  65  10.873 -11.499   1.864
  506   HD11  LEU  65          HD11      LEU  65   9.603  -9.660   2.897
  507   HD12  LEU  65          HD12      LEU  65   9.494 -11.109   3.899
  508   HD13  LEU  65          HD13      LEU  65  10.573  -9.793   4.373
  509   HD21  LEU  65          HD21      LEU  65  12.614  -9.267   3.048
  510   HD22  LEU  65          HD22      LEU  65  12.975 -10.152   1.561
  511   HD23  LEU  65          HD23      LEU  65  11.559  -9.131   1.628
  512    H    TYR  66           H        TYR  66  15.192 -12.412   3.009
  513    HA   TYR  66           HA       TYR  66  15.355 -10.657   0.863
  514    HB2  TYR  66           HB2      TYR  66  17.756 -12.172   1.889
  515    HB3  TYR  66           HB3      TYR  66  17.679 -10.516   1.307
  516    HD1  TYR  66           HD2      TYR  66  15.431  -9.337   2.877
  517    HD2  TYR  66           HD1      TYR  66  18.541 -12.075   4.079
  518    HE1  TYR  66           HE2      TYR  66  15.107  -8.671   5.227
  519    HE2  TYR  66           HE1      TYR  66  18.201 -11.429   6.446
  520    HH   TYR  66           HH       TYR  66  15.763  -9.007   7.467
  521    H    ASP  67           H        ASP  67  15.796 -14.181   0.814
  522    HA   ASP  67           HA       ASP  67  17.042 -14.211  -1.838
  523    HB2  ASP  67           HB2      ASP  67  17.421 -16.053  -0.255
  524    HB3  ASP  67           HB3      ASP  67  15.692 -16.413  -0.227
  525    H    VAL  68           H        VAL  68  13.763 -14.762  -0.462
  526    HA   VAL  68           HA       VAL  68  12.500 -15.459  -2.906
  527    HB   VAL  68           HB       VAL  68  11.272 -14.192  -0.405
  528   HG11  VAL  68          HG11      VAL  68   9.717 -14.201  -2.330
  529   HG12  VAL  68          HG12      VAL  68  10.025 -15.927  -2.588
  530   HG13  VAL  68          HG13      VAL  68   9.210 -15.373  -1.112
  531   HG21  VAL  68          HG21      VAL  68  11.808 -17.121  -1.099
  532   HG22  VAL  68          HG22      VAL  68  12.492 -16.207   0.264
  533   HG23  VAL  68          HG23      VAL  68  10.771 -16.580   0.232
  534    H    ALA  69           H        ALA  69  12.938 -12.325  -1.259
  535    HA   ALA  69           HA       ALA  69  11.501 -10.769  -3.222
  536    HB1  ALA  69           HB1      ALA  69  12.387  -8.884  -1.913
  537    HB2  ALA  69           HB2      ALA  69  11.675 -10.117  -0.852
  538    HB3  ALA  69           HB3      ALA  69  13.446  -9.981  -1.010
  539    H    GLY  70           H        GLY  70  14.553 -12.248  -3.447
  540    HA2  GLY  70           HA2      GLY  70  16.180 -10.149  -4.437
  541    HA3  GLY  70           HA3      GLY  70  16.428 -11.889  -4.665
  542    H    SER  71           H        SER  71  13.454 -11.599  -5.964
  543    HA   SER  71           HA       SER  71  14.291 -11.797  -8.650
  544    HB2  SER  71           HB2      SER  71  11.744 -11.582  -8.977
  545    HB3  SER  71           HB3      SER  71  12.366 -12.912  -8.002
  546    HG   SER  71           HG       SER  71  11.065 -10.548  -7.107
  547    H    ASP  72           H        ASP  72  12.874  -9.063  -6.823
  548    HA   ASP  72           HA       ASP  72  14.342  -7.207  -8.418
  549    HB2  ASP  72           HB2      ASP  72  12.408  -7.494  -9.948
  550    HB3  ASP  72           HB3      ASP  72  11.320  -7.102  -8.620
  551    H    LYS  73           H        LYS  73  11.419  -7.341  -6.370
  552    HA   LYS  73           HA       LYS  73  12.648  -6.123  -4.108
  553    HB2  LYS  73           HB2      LYS  73  11.570  -3.974  -4.029
  554    HB3  LYS  73           HB3      LYS  73  12.487  -4.068  -5.520
  555    HG2  LYS  73           HG2      LYS  73  10.348  -4.642  -6.737
  556    HG3  LYS  73           HG3      LYS  73   9.462  -4.341  -5.237
  557    HD2  LYS  73           HD2      LYS  73  11.184  -2.309  -6.715
  558    HD3  LYS  73           HD3      LYS  73   9.420  -2.423  -6.795
  559    HE2  LYS  73           HE2      LYS  73   9.279  -2.004  -4.341
  560    HE3  LYS  73           HE3      LYS  73  11.039  -1.845  -4.272
  561    HZ1  LYS  73           HZ1      LYS  73   9.969   0.307  -4.418
  562    HZ2  LYS  73           HZ2      LYS  73  10.862   0.066  -5.757
  563    HZ3  LYS  73           HZ3      LYS  73   9.234  -0.076  -5.819
  564    H    TYR  74           H        TYR  74  10.470  -5.235  -2.669
  565    HA   TYR  74           HA       TYR  74   8.182  -6.988  -3.060
  566    HB2  TYR  74           HB2      TYR  74   8.420  -8.221  -1.042
  567    HB3  TYR  74           HB3      TYR  74   9.897  -8.443  -1.934
  568    HD1  TYR  74           HD1      TYR  74  11.940  -6.830  -1.223
  569    HD2  TYR  74           HD2      TYR  74   8.425  -7.444   1.203
  570    HE1  TYR  74           HE1      TYR  74  13.159  -5.986   0.739
  571    HE2  TYR  74           HE2      TYR  74   9.639  -6.591   3.179
  572    HH   TYR  74           HH       TYR  74  13.053  -5.467   2.996
  573    H    GLN  75           H        GLN  75   6.568  -6.564  -1.233
  574    HA   GLN  75           HA       GLN  75   7.097  -4.396   0.562
  575    HB2  GLN  75           HB2      GLN  75   5.247  -2.907  -0.136
  576    HB3  GLN  75           HB3      GLN  75   6.571  -2.969  -1.288
  577    HG2  GLN  75           HG2      GLN  75   5.188  -4.638  -2.637
  578    HG3  GLN  75           HG3      GLN  75   3.827  -4.243  -1.579
  579   HE21  GLN  75          HE22      GLN  75   3.907  -3.837  -4.459
  580   HE22  GLN  75          HE21      GLN  75   3.881  -2.105  -4.755
  581    H    VAL  76           H        VAL  76   5.346  -4.154   2.160
  582    HA   VAL  76           HA       VAL  76   3.906  -6.625   2.724
  583    HB   VAL  76           HB       VAL  76   3.436  -3.893   3.982
  584   HG11  VAL  76          HG11      VAL  76   1.821  -5.690   4.553
  585   HG12  VAL  76          HG12      VAL  76   3.150  -6.749   5.047
  586   HG13  VAL  76          HG13      VAL  76   2.804  -5.261   5.953
  587   HG21  VAL  76          HG21      VAL  76   5.849  -4.220   4.181
  588   HG22  VAL  76          HG22      VAL  76   5.075  -4.503   5.732
  589   HG23  VAL  76          HG23      VAL  76   5.606  -5.890   4.744
  590    H    ASN  77           H        ASN  77   1.753  -6.979   2.210
  591    HA   ASN  77           HA       ASN  77   0.058  -4.763   1.319
  592    HB2  ASN  77           HB2      ASN  77   1.111  -5.449  -0.815
  593    HB3  ASN  77           HB3      ASN  77   0.513  -7.092  -0.581
  594   HD21  ASN  77          HD22      ASN  77  -0.273  -5.995  -2.873
  595   HD22  ASN  77          HD21      ASN  77  -1.961  -5.496  -2.803
  596    H    ASN  78           H        ASN  78  -0.597  -5.428   3.472
  597    HA   ASN  78           HA       ASN  78  -1.963  -7.960   3.927
  598    HB2  ASN  78           HB2      ASN  78  -1.984  -5.320   5.451
  599    HB3  ASN  78           HB3      ASN  78  -2.862  -6.768   5.934
  600   HD21  ASN  78          HD22      ASN  78  -0.268  -5.202   6.976
  601   HD22  ASN  78          HD21      ASN  78   0.748  -6.563   7.405
  602    H    LYS  79           H        LYS  79  -3.251  -8.030   1.998
  603    HA   LYS  79           HA       LYS  79  -4.946  -5.992   1.105
  604    HB2  LYS  79           HB2      LYS  79  -5.360  -9.007   0.858
  605    HB3  LYS  79           HB3      LYS  79  -6.253  -7.775  -0.039
  606    HG2  LYS  79           HG2      LYS  79  -4.050  -6.943  -0.982
  607    HG3  LYS  79           HG3      LYS  79  -3.253  -8.297  -0.177
  608    HD2  LYS  79           HD2      LYS  79  -3.544  -8.950  -2.422
  609    HD3  LYS  79           HD3      LYS  79  -4.746  -9.866  -1.496
  610    HE2  LYS  79           HE2      LYS  79  -6.476  -8.163  -2.190
  611    HE3  LYS  79           HE3      LYS  79  -5.228  -7.319  -3.116
  612    HZ1  LYS  79           HZ1      LYS  79  -6.427  -8.723  -4.588
  613    HZ2  LYS  79           HZ2      LYS  79  -4.953  -9.426  -4.412
  614    HZ3  LYS  79           HZ3      LYS  79  -6.263 -10.037  -3.638
  615    H    HIS  80           H        HIS  80  -6.687  -5.049   1.945
  616    HA   HIS  80           HA       HIS  80  -8.392  -4.526   3.302
  617    HB2  HIS  80           HB2      HIS  80  -9.282  -7.336   2.650
  618    HB3  HIS  80           HB3      HIS  80 -10.291  -5.993   3.212
  619    HD2  HIS  80           HD2      HIS  80  -9.868  -3.642   1.416
  620    HE1  HIS  80           HE1      HIS  80 -10.016  -6.182  -2.001
  621    HE2  HIS  80           HE2      HIS  80 -10.187  -3.776  -1.187
  622    H    ASP  81           H        ASP  81  -6.164  -5.213   4.788
  623    HA   ASP  81           HA       ASP  81  -6.651  -6.778   7.061
  624    HB2  ASP  81           HB2      ASP  81  -4.566  -5.506   6.451
  625    HB3  ASP  81           HB3      ASP  81  -5.362  -4.011   6.912
  626    H    ASP  82           H        ASP  82  -8.559  -4.172   6.044
  627    HA   ASP  82           HA       ASP  82  -9.443  -3.324   8.755
  628    HB2  ASP  82           HB2      ASP  82  -8.884  -1.580   7.098
  629    HB3  ASP  82           HB3      ASP  82 -10.073  -2.251   5.978
  630    H    LYS  83           H        LYS  83 -10.281  -5.490   6.191
  631    HA   LYS  83           HA       LYS  83 -13.122  -5.654   7.133
  632    HB2  LYS  83           HB2      LYS  83 -12.208  -6.355   4.337
  633    HB3  LYS  83           HB3      LYS  83 -13.837  -6.098   4.938
  634    HG2  LYS  83           HG2      LYS  83 -13.242  -3.642   5.259
  635    HG3  LYS  83           HG3      LYS  83 -11.675  -3.984   4.504
  636    HD2  LYS  83           HD2      LYS  83 -13.092  -3.040   2.838
  637    HD3  LYS  83           HD3      LYS  83 -12.842  -4.746   2.439
  638    HE2  LYS  83           HE2      LYS  83 -15.071  -5.298   3.390
  639    HE3  LYS  83           HE3      LYS  83 -15.297  -3.610   3.866
  640    HZ1  LYS  83           HZ1      LYS  83 -16.427  -4.108   1.797
  641    HZ2  LYS  83           HZ2      LYS  83 -15.259  -3.010   1.517
  642    HZ3  LYS  83           HZ3      LYS  83 -15.043  -4.569   1.072
  643    H    TYR  84           H        TYR  84 -10.136  -7.372   6.571
  644    HA   TYR  84           HA       TYR  84 -11.430  -9.979   7.172
  645    HB2  TYR  84           HB2      TYR  84  -9.649  -9.302   4.799
  646    HB3  TYR  84           HB3      TYR  84  -9.958 -10.945   5.337
  647    HD1  TYR  84           HD1      TYR  84 -12.355 -11.824   5.467
  648    HD2  TYR  84           HD2      TYR  84 -11.218  -8.286   3.288
  649    HE1  TYR  84           HE1      TYR  84 -14.431 -11.988   4.127
  650    HE2  TYR  84           HE2      TYR  84 -13.287  -8.431   1.940
  651    HH   TYR  84           HH       TYR  84 -15.253  -9.621   1.544
  652    H    SER  85           H        SER  85  -9.135 -11.515   6.939
  653    HA   SER  85           HA       SER  85  -7.675 -12.399   8.401
  654    HB2  SER  85           HB2      SER  85  -6.467  -9.660   8.671
  655    HB3  SER  85           HB3      SER  85  -5.724 -11.244   8.974
  656    HG   SER  85           HG       SER  85  -6.788 -10.405   6.453
  657    HA   PRO  86           HA       PRO  86  -9.984 -10.838  12.117
  658    HB2  PRO  86           HB2      PRO  86 -11.550 -13.040  12.594
  659    HB3  PRO  86           HB3      PRO  86 -12.049 -11.728  11.472
  660    HG2  PRO  86           HG2      PRO  86 -10.729 -14.383  10.809
  661    HG3  PRO  86           HG3      PRO  86 -12.168 -13.639  10.035
  662    HD2  PRO  86           HD2      PRO  86  -9.670 -13.411   8.970
  663    HD3  PRO  86           HD3      PRO  86 -10.852 -12.069   8.885
  664    H    LEU  87           H        LEU  87  -7.952 -13.327  11.225
  665    HA   LEU  87           HA       LEU  87  -7.994 -14.975  13.562
  666    HB2  LEU  87           HB2      LEU  87  -5.906 -14.620  11.389
  667    HB3  LEU  87           HB3      LEU  87  -5.954 -15.952  12.550
  668    HG   LEU  87           HG       LEU  87  -7.937 -15.332  10.323
  669   HD11  LEU  87          HD11      LEU  87  -6.117 -17.746  10.873
  670   HD12  LEU  87          HD12      LEU  87  -7.180 -17.542   9.469
  671   HD13  LEU  87          HD13      LEU  87  -5.794 -16.467   9.691
  672   HD21  LEU  87          HD21      LEU  87  -9.101 -17.456  10.969
  673   HD22  LEU  87          HD22      LEU  87  -8.127 -17.517  12.456
  674   HD23  LEU  87          HD23      LEU  87  -9.280 -16.189  12.178
  675    HA   PRO  88           HA       PRO  88  -5.114 -12.546  16.152
  676    HB2  PRO  88           HB2      PRO  88  -4.619 -15.275  17.329
  677    HB3  PRO  88           HB3      PRO  88  -4.939 -13.731  18.171
  678    HG2  PRO  88           HG2      PRO  88  -6.875 -15.642  17.950
  679    HG3  PRO  88           HG3      PRO  88  -7.271 -13.901  17.783
  680    HD2  PRO  88           HD2      PRO  88  -6.892 -15.953  15.597
  681    HD3  PRO  88           HD3      PRO  88  -8.113 -14.655  15.743
  682    H    CYS  89           H        CYS  89  -2.816 -12.342  15.987
  683    HA   CYS  89           HA       CYS  89  -1.716 -13.198  13.630
  684    HB2  CYS  89           HB2      CYS  89  -0.152 -12.427  16.132
  685    HB3  CYS  89           HB3      CYS  89   0.430 -12.362  14.460
  686    HG   CYS  89           HG       CYS  89  -0.078  -9.937  15.304
  687    H    SER  90           H        SER  90  -1.391 -14.829  16.793
  688    HA   SER  90           HA       SER  90   0.650 -16.657  16.191
  689    HB2  SER  90           HB2      SER  90  -0.544 -17.990  18.034
  690    HB3  SER  90           HB3      SER  90  -0.040 -16.338  18.435
  691    HG   SER  90           HG       SER  90  -2.155 -16.631  19.110
  692    H    LYS  91           H        LYS  91  -2.863 -16.904  15.626
  693    HA   LYS  91           HA       LYS  91  -2.861 -19.621  14.753
  694    HB2  LYS  91           HB2      LYS  91  -4.807 -17.467  13.900
  695    HB3  LYS  91           HB3      LYS  91  -5.061 -19.207  13.887
  696    HG2  LYS  91           HG2      LYS  91  -4.857 -17.413  16.342
  697    HG3  LYS  91           HG3      LYS  91  -6.294 -18.159  15.668
  698    HD2  LYS  91           HD2      LYS  91  -5.888 -19.523  17.444
  699    HD3  LYS  91           HD3      LYS  91  -5.126 -20.440  16.141
  700    HE2  LYS  91           HE2      LYS  91  -2.902 -19.610  16.854
  701    HE3  LYS  91           HE3      LYS  91  -3.656 -18.540  18.039
  702    HZ1  LYS  91           HZ1      LYS  91  -2.828 -20.565  19.072
  703    HZ2  LYS  91           HZ2      LYS  91  -4.445 -20.496  19.226
  704    HZ3  LYS  91           HZ3      LYS  91  -3.775 -21.504  18.132
  705    H    ILE  92           H        ILE  92  -2.177 -16.578  13.042
  706    HA   ILE  92           HA       ILE  92  -2.356 -17.688  10.389
  707    HB   ILE  92           HB       ILE  92  -0.707 -15.311  11.345
  708   HG12  ILE  92          HG12      ILE  92  -3.568 -15.250  10.274
  709   HG13  ILE  92          HG13      ILE  92  -3.168 -15.146  11.987
  710   HG21  ILE  92          HG21      ILE  92  -0.069 -16.065   9.122
  711   HG22  ILE  92          HG22      ILE  92  -1.764 -16.089   8.599
  712   HG23  ILE  92          HG23      ILE  92  -0.955 -14.551   8.977
  713   HD11  ILE  92          HD11      ILE  92  -2.503 -13.112   9.874
  714   HD12  ILE  92          HD12      ILE  92  -3.484 -12.927  11.328
  715   HD13  ILE  92          HD13      ILE  92  -1.720 -13.128  11.457
  716    H    ILE  93           H        ILE  93   0.365 -17.163  12.714
  717    HA   ILE  93           HA       ILE  93   2.389 -18.390  11.156
  718    HB   ILE  93           HB       ILE  93   2.189 -18.581  14.190
  719   HG12  ILE  93          HG12      ILE  93   1.793 -16.270  13.774
  720   HG13  ILE  93          HG13      ILE  93   3.402 -16.479  14.407
  721   HG21  ILE  93          HG21      ILE  93   3.966 -19.874  13.220
  722   HG22  ILE  93          HG22      ILE  93   4.539 -18.487  12.267
  723   HG23  ILE  93          HG23      ILE  93   4.663 -18.474  14.044
  724   HD11  ILE  93          HD11      ILE  93   4.367 -16.158  12.159
  725   HD12  ILE  93          HD12      ILE  93   2.734 -15.971  11.469
  726   HD13  ILE  93          HD13      ILE  93   3.353 -14.791  12.638
  727    H    GLN  94           H        GLN  94   0.159 -19.774  13.597
  728    HA   GLN  94           HA       GLN  94   1.052 -22.431  13.531
  729    HB2  GLN  94           HB2      GLN  94  -1.669 -21.181  14.064
  730    HB3  GLN  94           HB3      GLN  94  -1.457 -22.919  14.127
  731    HG2  GLN  94           HG2      GLN  94   0.031 -20.883  15.838
  732    HG3  GLN  94           HG3      GLN  94  -1.323 -21.888  16.347
  733   HE21  GLN  94          HE22      GLN  94  -0.722 -24.432  15.418
  734   HE22  GLN  94          HE21      GLN  94   0.788 -24.982  16.095
  735    H    ARG  95           H        ARG  95  -1.361 -20.843  11.396
  736    HA   ARG  95           HA       ARG  95  -1.967 -23.213   9.888
  737    HB2  ARG  95           HB2      ARG  95  -2.105 -20.227   9.274
  738    HB3  ARG  95           HB3      ARG  95  -2.427 -21.411   8.021
  739    HG2  ARG  95           HG2      ARG  95  -3.982 -21.318  10.636
  740    HG3  ARG  95           HG3      ARG  95  -4.449 -20.488   9.148
  741    HD2  ARG  95           HD2      ARG  95  -4.192 -22.872   8.027
  742    HD3  ARG  95           HD3      ARG  95  -4.297 -23.470   9.679
  743    HE   ARG  95           HE       ARG  95  -6.537 -22.976   9.725
  744   HH11  ARG  95          HH21      ARG  95  -5.140 -21.345   6.884
  745   HH12  ARG  95          HH22      ARG  95  -6.666 -20.856   6.237
  746   HH21  ARG  95          HH11      ARG  95  -8.580 -22.448   8.755
  747   HH22  ARG  95          HH12      ARG  95  -8.610 -21.595   7.238
  748    H    ALA  96           H        ALA  96   0.369 -20.546   9.185
  749    HA   ALA  96           HA       ALA  96   1.454 -21.666   6.880
  750    HB1  ALA  96           HB1      ALA  96   1.868 -19.347   7.835
  751    HB2  ALA  96           HB2      ALA  96   3.015 -20.089   8.967
  752    HB3  ALA  96           HB3      ALA  96   3.308 -20.171   7.219
  753    H    GLU  97           H        GLU  97   2.386 -22.316  10.244
  754    HA   GLU  97           HA       GLU  97   4.677 -23.912   9.572
  755    HB2  GLU  97           HB2      GLU  97   3.039 -23.534  12.115
  756    HB3  GLU  97           HB3      GLU  97   4.485 -24.534  12.064
  757    HG2  GLU  97           HG2      GLU  97   4.456 -21.581  11.295
  758    HG3  GLU  97           HG3      GLU  97   4.825 -22.178  12.909
  759    H    GLU  98           H        GLU  98   1.238 -24.707   9.862
  760    HA   GLU  98           HA       GLU  98   1.736 -27.576  10.066
  761    HB2  GLU  98           HB2      GLU  98  -0.693 -25.785   9.718
  762    HB3  GLU  98           HB3      GLU  98  -0.825 -27.530   9.511
  763    HG2  GLU  98           HG2      GLU  98   0.224 -26.214  12.051
  764    HG3  GLU  98           HG3      GLU  98  -1.454 -26.673  11.784
  765    H    LEU  99           H        LEU  99   1.464 -25.114   7.623
  766    HA   LEU  99           HA       LEU  99   0.699 -27.068   5.541
  767    HB2  LEU  99           HB2      LEU  99   0.684 -24.040   5.631
  768    HB3  LEU  99           HB3      LEU  99   0.154 -24.999   4.247
  769    HG   LEU  99           HG       LEU  99  -1.077 -25.294   7.036
  770   HD11  LEU  99          HD11      LEU  99  -2.922 -23.914   6.283
  771   HD12  LEU  99          HD12      LEU  99  -1.415 -22.992   6.173
  772   HD13  LEU  99          HD13      LEU  99  -2.155 -23.679   4.699
  773   HD21  LEU  99          HD21      LEU  99  -2.036 -26.209   4.295
  774   HD22  LEU  99          HD22      LEU  99  -1.475 -27.242   5.629
  775   HD23  LEU  99          HD23      LEU  99  -2.962 -26.320   5.808
  776    H    VAL 100           H        VAL 100   3.545 -25.146   6.455
  777    HA   VAL 100           HA       VAL 100   4.885 -25.433   3.943
  778    HB   VAL 100           HB       VAL 100   5.685 -23.941   5.688
  779   HG11  VAL 100          HG11      VAL 100   6.835 -24.697   7.697
  780   HG12  VAL 100          HG12      VAL 100   5.167 -25.276   7.709
  781   HG13  VAL 100          HG13      VAL 100   6.483 -26.394   7.308
  782   HG21  VAL 100          HG21      VAL 100   7.733 -26.113   5.070
  783   HG22  VAL 100          HG22      VAL 100   7.291 -24.750   4.017
  784   HG23  VAL 100          HG23      VAL 100   8.084 -24.466   5.575
  785    H    GLY 101           H        GLY 101   6.200 -27.073   3.101
  786    HA2  GLY 101           HA2      GLY 101   6.963 -29.213   2.799
  787    HA3  GLY 101           HA3      GLY 101   6.661 -29.566   4.509
  788    H    GLN 102           H        GLN 102   4.272 -28.378   2.107
  789    HA   GLN 102           HA       GLN 102   3.096 -31.028   1.784
  790    HB2  GLN 102           HB2      GLN 102   1.491 -28.553   2.612
  791    HB3  GLN 102           HB3      GLN 102   0.802 -29.970   1.830
  792    HG2  GLN 102           HG2      GLN 102   1.732 -31.395   3.649
  793    HG3  GLN 102           HG3      GLN 102   2.185 -29.917   4.528
  794   HE21  GLN 102          HE22      GLN 102   0.615 -29.374   6.140
  795   HE22  GLN 102          HE21      GLN 102  -1.078 -29.744   5.970
  796    H    GLU 103           H        GLU 103   1.754 -31.019  -0.099
  797    HA   GLU 103           HA       GLU 103   2.852 -29.205  -2.185
  798    HB2  GLU 103           HB2      GLU 103   3.048 -31.158  -3.609
  799    HB3  GLU 103           HB3      GLU 103   3.935 -31.407  -2.092
  800    HG2  GLU 103           HG2      GLU 103   2.134 -32.763  -1.189
  801    HG3  GLU 103           HG3      GLU 103   1.225 -32.607  -2.705
  802    H    VAL 104           H        VAL 104   1.585 -28.750  -3.991
  803    HA   VAL 104           HA       VAL 104  -1.302 -29.408  -3.809
  804    HB   VAL 104           HB       VAL 104  -1.626 -27.031  -4.514
  805   HG11  VAL 104          HG11      VAL 104  -0.572 -27.412  -1.677
  806   HG12  VAL 104          HG12      VAL 104  -1.682 -26.139  -2.221
  807   HG13  VAL 104          HG13      VAL 104  -2.204 -27.830  -2.240
  808   HG21  VAL 104          HG21      VAL 104   0.690 -26.389  -5.062
  809   HG22  VAL 104          HG22      VAL 104  -0.009 -25.316  -3.850
  810   HG23  VAL 104          HG23      VAL 104   1.155 -26.547  -3.351
  811    H    LEU 105           H        LEU 105  -2.322 -29.510  -5.797
  812    HA   LEU 105           HA       LEU 105  -0.383 -30.093  -7.972
  813    HB2  LEU 105           HB2      LEU 105  -3.231 -31.002  -7.607
  814    HB3  LEU 105           HB3      LEU 105  -2.116 -31.498  -8.887
  815    HG   LEU 105           HG       LEU 105  -1.873 -32.162  -5.919
  816   HD11  LEU 105          HD11      LEU 105  -2.238 -34.477  -6.649
  817   HD12  LEU 105          HD12      LEU 105  -3.593 -33.447  -7.137
  818   HD13  LEU 105          HD13      LEU 105  -2.382 -33.943  -8.339
  819   HD21  LEU 105          HD21      LEU 105   0.383 -31.894  -6.770
  820   HD22  LEU 105          HD22      LEU 105   0.049 -33.614  -6.606
  821   HD23  LEU 105          HD23      LEU 105   0.007 -32.863  -8.217
  822    H    TYR 106           H        TYR 106  -0.610 -27.667  -7.792
  823    HA   TYR 106           HA       TYR 106  -1.800 -26.892 -10.341
  824    HB2  TYR 106           HB2      TYR 106  -2.543 -24.683  -9.528
  825    HB3  TYR 106           HB3      TYR 106  -3.506 -26.013  -8.943
  826    HD1  TYR 106           HD1      TYR 106  -0.548 -23.897  -7.804
  827    HD2  TYR 106           HD2      TYR 106  -4.182 -25.973  -6.721
  828    HE1  TYR 106           HE1      TYR 106  -0.368 -23.020  -5.503
  829    HE2  TYR 106           HE2      TYR 106  -4.035 -25.047  -4.436
  830    HH   TYR 106           HH       TYR 106  -2.832 -23.682  -2.975
  831    H    LYS 107           H        LYS 107  -0.560 -25.307 -11.417
  832    HA   LYS 107           HA       LYS 107   2.178 -25.333 -10.809
  833    HB2  LYS 107           HB2      LYS 107   0.550 -24.854 -13.006
  834    HB3  LYS 107           HB3      LYS 107   0.980 -23.195 -12.593
  835    HG2  LYS 107           HG2      LYS 107   3.404 -23.929 -12.588
  836    HG3  LYS 107           HG3      LYS 107   2.854 -25.520 -13.113
  837    HD2  LYS 107           HD2      LYS 107   2.702 -22.885 -14.623
  838    HD3  LYS 107           HD3      LYS 107   3.716 -24.264 -15.015
  839    HE2  LYS 107           HE2      LYS 107   0.686 -24.059 -15.306
  840    HE3  LYS 107           HE3      LYS 107   1.896 -24.103 -16.585
  841    HZ1  LYS 107           HZ1      LYS 107   2.449 -26.412 -15.535
  842    HZ2  LYS 107           HZ2      LYS 107   0.908 -26.312 -14.940
  843    HZ3  LYS 107           HZ3      LYS 107   1.161 -26.243 -16.544
  844    H    LEU 108           H        LEU 108   3.548 -23.333 -10.677
  845    HA   LEU 108           HA       LEU 108   2.704 -21.402  -8.677
  846    HB2  LEU 108           HB2      LEU 108   5.058 -21.431 -10.647
  847    HB3  LEU 108           HB3      LEU 108   4.756 -20.148  -9.498
  848    HG   LEU 108           HG       LEU 108   6.492 -21.457  -8.633
  849   HD11  LEU 108          HD11      LEU 108   3.986 -22.199  -7.077
  850   HD12  LEU 108          HD12      LEU 108   5.644 -22.137  -6.466
  851   HD13  LEU 108          HD13      LEU 108   4.852 -20.644  -6.979
  852   HD21  LEU 108          HD21      LEU 108   6.377 -23.833  -8.147
  853   HD22  LEU 108          HD22      LEU 108   4.761 -23.952  -8.837
  854   HD23  LEU 108          HD23      LEU 108   6.145 -23.544  -9.874
  855    H    THR 109           H        THR 109   1.265 -19.821  -9.124
  856    HA   THR 109           HA       THR 109   1.694 -18.181 -11.509
  857    HB   THR 109           HB       THR 109  -0.688 -17.896 -11.924
  858    HG1  THR 109           HG1      THR 109  -2.182 -19.307 -10.939
  859   HG21  THR 109          HG21      THR 109  -1.268 -19.995 -12.990
  860   HG22  THR 109          HG22      THR 109   0.467 -19.716 -13.202
  861   HG23  THR 109          HG23      THR 109  -0.105 -20.888 -11.989
  862    H    SER 110           H        SER 110   1.093 -15.952 -11.039
  863    HA   SER 110           HA       SER 110   1.491 -15.045  -8.441
  864    HB2  SER 110           HB2      SER 110  -0.180 -13.698 -10.608
  865    HB3  SER 110           HB3      SER 110   0.773 -12.917  -9.328
  866    HG   SER 110           HG       SER 110   2.585 -13.445 -10.273
  867    H    GLU 111           H        GLU 111  -1.569 -15.921 -10.101
  868    HA   GLU 111           HA       GLU 111  -3.317 -14.961  -8.040
  869    HB2  GLU 111           HB2      GLU 111  -3.927 -15.297 -10.426
  870    HB3  GLU 111           HB3      GLU 111  -3.755 -17.047 -10.226
  871    HG2  GLU 111           HG2      GLU 111  -5.584 -17.052  -8.566
  872    HG3  GLU 111           HG3      GLU 111  -5.697 -15.291  -8.659
  873    H    ASN 112           H        ASN 112  -1.849 -18.227  -8.698
  874    HA   ASN 112           HA       ASN 112  -3.398 -19.513  -6.629
  875    HB2  ASN 112           HB2      ASN 112  -0.809 -20.242  -8.057
  876    HB3  ASN 112           HB3      ASN 112  -1.460 -21.213  -6.749
  877   HD21  ASN 112          HD22      ASN 112  -1.115 -22.039  -9.571
  878   HD22  ASN 112          HD21      ASN 112  -2.720 -22.444 -10.141
  879    H    CYS 113           H        CYS 113  -0.204 -17.884  -6.651
  880    HA   CYS 113           HA       CYS 113   0.387 -18.616  -3.925
  881    HB2  CYS 113           HB2      CYS 113   1.452 -16.245  -5.527
  882    HB3  CYS 113           HB3      CYS 113   2.149 -16.942  -4.054
  883    HG   CYS 113           HG       CYS 113   1.750 -18.243  -7.072
  884    H    GLU 114           H        GLU 114  -1.098 -15.692  -5.452
  885    HA   GLU 114           HA       GLU 114  -1.484 -14.144  -3.140
  886    HB2  GLU 114           HB2      GLU 114  -1.841 -13.411  -5.505
  887    HB3  GLU 114           HB3      GLU 114  -3.283 -14.406  -5.594
  888    HG2  GLU 114           HG2      GLU 114  -4.409 -13.039  -3.924
  889    HG3  GLU 114           HG3      GLU 114  -2.917 -12.160  -3.576
  890    H    HIS 115           H        HIS 115  -3.585 -16.645  -4.625
  891    HA   HIS 115           HA       HIS 115  -5.744 -16.493  -2.818
  892    HB2  HIS 115           HB2      HIS 115  -5.938 -17.659  -4.932
  893    HB3  HIS 115           HB3      HIS 115  -4.646 -18.778  -4.506
  894    HD2  HIS 115           HD2      HIS 115  -5.160 -20.664  -2.617
  895    HE1  HIS 115           HE1      HIS 115  -9.371 -20.091  -2.400
  896    HE2  HIS 115           HE2      HIS 115  -7.416 -21.494  -1.563
  897    H    PHE 116           H        PHE 116  -2.843 -18.706  -2.768
  898    HA   PHE 116           HA       PHE 116  -3.676 -20.012  -0.424
  899    HB2  PHE 116           HB2      PHE 116  -1.982 -21.004  -1.821
  900    HB3  PHE 116           HB3      PHE 116  -0.973 -19.568  -1.740
  901    HD1  PHE 116           HD2      PHE 116  -2.013 -22.627   0.091
  902    HD2  PHE 116           HD1      PHE 116   0.472 -19.103   0.167
  903    HE1  PHE 116           HE2      PHE 116  -0.722 -23.562   1.995
  904    HE2  PHE 116           HE1      PHE 116   1.715 -20.004   2.101
  905    HZ   PHE 116           HZ       PHE 116   1.127 -22.250   3.015
  906    H    VAL 117           H        VAL 117  -1.366 -17.239  -0.687
  907    HA   VAL 117           HA       VAL 117  -0.929 -17.254   2.131
  908    HB   VAL 117           HB       VAL 117   0.057 -15.090   1.942
  909   HG11  VAL 117          HG11      VAL 117   1.375 -17.012   1.226
  910   HG12  VAL 117          HG12      VAL 117   0.816 -16.802  -0.450
  911   HG13  VAL 117          HG13      VAL 117   1.804 -15.557   0.316
  912   HG21  VAL 117          HG21      VAL 117  -1.541 -13.961   0.390
  913   HG22  VAL 117          HG22      VAL 117   0.141 -13.767  -0.081
  914   HG23  VAL 117          HG23      VAL 117  -0.888 -14.923  -0.947
  915    H    ASN 118           H        ASN 118  -3.525 -15.750   0.222
  916    HA   ASN 118           HA       ASN 118  -4.614 -14.268   2.461
  917    HB2  ASN 118           HB2      ASN 118  -5.704 -15.064  -0.252
  918    HB3  ASN 118           HB3      ASN 118  -6.769 -14.431   1.006
  919   HD21  ASN 118          HD22      ASN 118  -3.827 -13.618  -0.896
  920   HD22  ASN 118          HD21      ASN 118  -3.881 -11.898  -0.526
  921    H    GLU 119           H        GLU 119  -5.137 -17.572   1.173
  922    HA   GLU 119           HA       GLU 119  -7.142 -18.366   2.955
  923    HB2  GLU 119           HB2      GLU 119  -5.726 -19.552   0.907
  924    HB3  GLU 119           HB3      GLU 119  -4.989 -20.351   2.300
  925    HG2  GLU 119           HG2      GLU 119  -7.328 -20.919   3.075
  926    HG3  GLU 119           HG3      GLU 119  -7.922 -20.183   1.574
  927    H    LEU 120           H        LEU 120  -3.608 -18.110   3.527
  928    HA   LEU 120           HA       LEU 120  -3.810 -19.329   6.140
  929    HB2  LEU 120           HB2      LEU 120  -1.637 -17.835   4.668
  930    HB3  LEU 120           HB3      LEU 120  -1.508 -18.111   6.412
  931    HG   LEU 120           HG       LEU 120  -1.585 -20.467   6.191
  932   HD11  LEU 120          HD11      LEU 120  -1.810 -20.119   3.184
  933   HD12  LEU 120          HD12      LEU 120  -1.509 -21.635   4.022
  934   HD13  LEU 120          HD13      LEU 120  -3.055 -20.822   4.246
  935   HD21  LEU 120          HD21      LEU 120   0.580 -19.302   5.932
  936   HD22  LEU 120          HD22      LEU 120   0.547 -20.817   5.009
  937   HD23  LEU 120          HD23      LEU 120   0.347 -19.268   4.171
  938    H    ARG 121           H        ARG 121  -3.627 -15.898   4.993
  939    HA   ARG 121           HA       ARG 121  -3.576 -14.970   7.734
  940    HB2  ARG 121           HB2      ARG 121  -2.629 -13.844   5.543
  941    HB3  ARG 121           HB3      ARG 121  -4.254 -13.141   5.414
  942    HG2  ARG 121           HG2      ARG 121  -3.964 -12.354   7.837
  943    HG3  ARG 121           HG3      ARG 121  -2.299 -12.964   7.739
  944    HD2  ARG 121           HD2      ARG 121  -1.793 -11.412   5.941
  945    HD3  ARG 121           HD3      ARG 121  -3.448 -10.779   5.976
  946    HE   ARG 121           HE       ARG 121  -1.388 -10.570   8.152
  947   HH11  ARG 121          HH11      ARG 121  -4.599  -9.501   7.070
  948   HH12  ARG 121          HH12      ARG 121  -4.456  -7.971   7.934
  949   HH21  ARG 121          HH21      ARG 121  -1.232  -8.455   9.113
  950   HH22  ARG 121          HH22      ARG 121  -2.706  -7.479   9.150
  951    H    TYR 122           H        TYR 122  -6.130 -15.016   5.229
  952    HA   TYR 122           HA       TYR 122  -8.137 -13.858   7.005
  953    HB2  TYR 122           HB2      TYR 122  -8.441 -15.457   4.429
  954    HB3  TYR 122           HB3      TYR 122  -9.749 -14.707   5.302
  955    HD1  TYR 122           HD1      TYR 122  -6.856 -12.454   5.186
  956    HD2  TYR 122           HD2      TYR 122 -10.267 -13.941   2.995
  957    HE1  TYR 122           HE1      TYR 122  -6.803 -10.458   3.745
  958    HE2  TYR 122           HE2      TYR 122 -10.221 -11.943   1.553
  959    HH   TYR 122           HH       TYR 122  -9.168  -9.936   1.075
  960    H    GLY 123           H        GLY 123  -7.203 -17.174   6.028
  961    HA2  GLY 123           HA2      GLY 123  -7.676 -19.022   7.605
  962    HA3  GLY 123           HA3      GLY 123  -9.286 -18.316   7.850
  963    H    VAL 124           H        VAL 124  -9.801 -17.505   5.125
  964    HA   VAL 124           HA       VAL 124  -9.288 -19.645   3.268
  965    HB   VAL 124           HB       VAL 124 -11.859 -19.332   2.704
  966   HG11  VAL 124          HG11      VAL 124 -10.702 -21.493   3.036
  967   HG12  VAL 124          HG12      VAL 124 -10.958 -21.355   4.788
  968   HG13  VAL 124          HG13      VAL 124 -12.344 -21.507   3.693
  969   HG21  VAL 124          HG21      VAL 124 -12.445 -17.912   4.655
  970   HG22  VAL 124          HG22      VAL 124 -13.380 -19.410   4.577
  971   HG23  VAL 124          HG23      VAL 124 -12.049 -19.268   5.738
  972    H    ALA 125           H        ALA 125  -8.833 -18.533   1.322
  973    HA   ALA 125           HA       ALA 125  -8.978 -15.679   1.215
  974    HB1  ALA 125           HB1      ALA 125  -8.411 -15.970  -1.157
  975    HB2  ALA 125           HB2      ALA 125  -7.401 -17.020  -0.145
  976    HB3  ALA 125           HB3      ALA 125  -8.771 -17.701  -1.053
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1   9.598   2.805  -4.088
    2    H2   MET   1           H2       MET   1   9.708   1.314  -4.759
    3    H3   MET   1           H3       MET   1   9.467   1.462  -3.149
    4    HA   MET   1           HA       MET   1  11.880   2.268  -4.614
    5    HB2  MET   1           HB2      MET   1  11.306   3.733  -2.632
    6    HB3  MET   1           HB3      MET   1  11.424   2.305  -1.596
    7    HG2  MET   1           HG2      MET   1  13.812   2.034  -2.342
    8    HG3  MET   1           HG3      MET   1  13.633   3.475  -3.339
    9    HE1  MET   1           HE1      MET   1  14.145   1.961   0.186
   10    HE2  MET   1           HE2      MET   1  13.933   3.342   1.283
   11    HE3  MET   1           HE3      MET   1  12.524   2.644   0.461
   12    H    ARG   2           H        ARG   2  13.294   0.579  -4.971
   13    HA   ARG   2           HA       ARG   2  12.706  -2.106  -4.157
   14    HB2  ARG   2           HB2      ARG   2  13.994  -1.529  -6.171
   15    HB3  ARG   2           HB3      ARG   2  15.282  -0.821  -5.187
   16    HG2  ARG   2           HG2      ARG   2  15.845  -3.003  -4.249
   17    HG3  ARG   2           HG3      ARG   2  14.470  -3.763  -5.064
   18    HD2  ARG   2           HD2      ARG   2  16.835  -2.437  -6.469
   19    HD3  ARG   2           HD3      ARG   2  16.683  -4.161  -6.152
   20    HE   ARG   2           HE       ARG   2  14.827  -4.346  -7.605
   21   HH11  ARG   2          HH21      ARG   2  16.446  -1.182  -7.868
   22   HH12  ARG   2          HH22      ARG   2  15.841  -0.846  -9.446
   23   HH21  ARG   2          HH11      ARG   2  14.085  -3.933  -9.742
   24   HH22  ARG   2          HH12      ARG   2  14.461  -2.431 -10.522
   25    H    ALA   3           H        ALA   3  13.780  -3.415  -2.601
   26    HA   ALA   3           HA       ALA   3  14.175  -3.844  -0.437
   27    HB1  ALA   3           HB1      ALA   3  16.599  -2.091  -0.952
   28    HB2  ALA   3           HB2      ALA   3  16.421  -3.287   0.349
   29    HB3  ALA   3           HB3      ALA   3  16.441  -3.819  -1.344
   30    HA   PRO   4           HA       PRO   4  12.389   0.254   0.909
   31    HB2  PRO   4           HB2      PRO   4   9.936  -0.624   1.818
   32    HB3  PRO   4           HB3      PRO   4  10.284  -0.163   0.122
   33    HG2  PRO   4           HG2      PRO   4  10.200  -2.927   1.344
   34    HG3  PRO   4           HG3      PRO   4   9.509  -2.368  -0.207
   35    HD2  PRO   4           HD2      PRO   4  11.908  -3.672  -0.047
   36    HD3  PRO   4           HD3      PRO   4  11.599  -2.402  -1.260
   37    H    ILE   5           H        ILE   5  12.982  -2.737   2.502
   38    HA   ILE   5           HA       ILE   5  13.042  -3.481   4.602
   39    HB   ILE   5           HB       ILE   5  14.492  -2.257   6.159
   40   HG12  ILE   5          HG12      ILE   5  14.841  -0.178   3.948
   41   HG13  ILE   5          HG13      ILE   5  13.944   0.107   5.440
   42   HG21  ILE   5          HG21      ILE   5  15.264  -3.865   4.405
   43   HG22  ILE   5          HG22      ILE   5  15.578  -2.493   3.319
   44   HG23  ILE   5          HG23      ILE   5  16.487  -2.676   4.832
   45   HD11  ILE   5          HD11      ILE   5  16.020  -0.373   6.754
   46   HD12  ILE   5          HD12      ILE   5  16.919  -0.476   5.219
   47   HD13  ILE   5          HD13      ILE   5  16.137   1.040   5.687
   48    HA   PRO   6           HA       PRO   6   9.299  -1.231   6.157
   49    HB2  PRO   6           HB2      PRO   6   7.392  -3.027   5.531
   50    HB3  PRO   6           HB3      PRO   6   8.081  -1.966   4.268
   51    HG2  PRO   6           HG2      PRO   6   8.661  -4.877   4.777
   52    HG3  PRO   6           HG3      PRO   6   8.576  -3.989   3.226
   53    HD2  PRO   6           HD2      PRO   6  10.885  -4.541   4.884
   54    HD3  PRO   6           HD3      PRO   6  10.844  -3.602   3.354
   55    H    GLU   7           H        GLU   7   7.691  -2.385   7.831
   56    HA   GLU   7           HA       GLU   7   9.159  -4.476   9.370
   57    HB2  GLU   7           HB2      GLU   7   8.162  -1.830  10.462
   58    HB3  GLU   7           HB3      GLU   7   8.757  -3.200  11.424
   59    HG2  GLU   7           HG2      GLU   7  10.930  -3.095  10.142
   60    HG3  GLU   7           HG3      GLU   7  10.362  -1.655   9.322
   61    HA   PRO   8           HA       PRO   8   4.652  -5.479   8.630
   62    HB2  PRO   8           HB2      PRO   8   5.149  -8.145   7.985
   63    HB3  PRO   8           HB3      PRO   8   5.030  -6.812   6.801
   64    HG2  PRO   8           HG2      PRO   8   7.498  -8.055   8.026
   65    HG3  PRO   8           HG3      PRO   8   7.233  -7.585   6.320
   66    HD2  PRO   8           HD2      PRO   8   8.640  -6.049   8.024
   67    HD3  PRO   8           HD3      PRO   8   7.564  -5.319   6.796
   68    H    LYS   9           H        LYS   9   3.328  -6.758  10.005
   69    HA   LYS   9           HA       LYS   9   4.549  -7.590  12.560
   70    HB2  LYS   9           HB2      LYS   9   1.675  -7.802  11.543
   71    HB3  LYS   9           HB3      LYS   9   2.206  -8.158  13.175
   72    HG2  LYS   9           HG2      LYS   9   2.204  -5.434  11.806
   73    HG3  LYS   9           HG3      LYS   9   1.108  -5.977  13.064
   74    HD2  LYS   9           HD2      LYS   9   4.102  -5.489  13.401
   75    HD3  LYS   9           HD3      LYS   9   2.794  -4.428  13.929
   76    HE2  LYS   9           HE2      LYS   9   1.936  -6.223  15.433
   77    HE3  LYS   9           HE3      LYS   9   3.282  -7.263  14.953
   78    HZ1  LYS   9           HZ1      LYS   9   4.800  -5.610  15.896
   79    HZ2  LYS   9           HZ2      LYS   9   3.548  -4.659  16.342
   80    HZ3  LYS   9           HZ3      LYS   9   3.744  -6.121  17.025
   81    HA   PRO  10           HA       PRO  10   4.989 -11.915  11.227
   82    HB2  PRO  10           HB2      PRO  10   3.819 -12.390  13.975
   83    HB3  PRO  10           HB3      PRO  10   5.182 -13.240  13.166
   84    HG2  PRO  10           HG2      PRO  10   5.692 -11.353  15.024
   85    HG3  PRO  10           HG3      PRO  10   6.616 -11.327  13.484
   86    HD2  PRO  10           HD2      PRO  10   4.214  -9.652  14.249
   87    HD3  PRO  10           HD3      PRO  10   5.746  -9.155  13.459
   88    H    GLY  11           H        GLY  11   3.543 -13.148  10.001
   89    HA2  GLY  11           HA2      GLY  11   1.525 -14.127   9.464
   90    HA3  GLY  11           HA3      GLY  11   0.651 -13.038  10.547
   91    H    ASP  12           H        ASP  12   2.500 -10.759   9.047
   92    HA   ASP  12           HA       ASP  12   0.280  -9.966   7.410
   93    HB2  ASP  12           HB2      ASP  12   3.063  -8.873   7.809
   94    HB3  ASP  12           HB3      ASP  12   2.068  -8.257   6.509
   95    H    LEU  13           H        LEU  13   0.237  -9.482   5.136
   96    HA   LEU  13           HA       LEU  13   1.407 -11.679   3.536
   97    HB2  LEU  13           HB2      LEU  13  -0.434  -9.356   2.799
   98    HB3  LEU  13           HB3      LEU  13   0.229 -10.495   1.643
   99    HG   LEU  13           HG       LEU  13  -1.864 -11.052   3.756
  100   HD11  LEU  13          HD11      LEU  13  -2.506 -10.130   1.532
  101   HD12  LEU  13          HD12      LEU  13  -1.816 -11.576   0.773
  102   HD13  LEU  13          HD13      LEU  13  -3.192 -11.726   1.896
  103   HD21  LEU  13          HD21      LEU  13  -1.725 -13.447   2.880
  104   HD22  LEU  13          HD22      LEU  13  -0.122 -13.005   2.235
  105   HD23  LEU  13          HD23      LEU  13  -0.432 -12.951   3.980
  106    H    ILE  14           H        ILE  14   2.961 -11.470   2.056
  107    HA   ILE  14           HA       ILE  14   4.205  -8.808   1.570
  108    HB   ILE  14           HB       ILE  14   5.543 -11.543   1.662
  109   HG12  ILE  14          HG12      ILE  14   5.034 -10.932   3.944
  110   HG13  ILE  14          HG13      ILE  14   6.759 -10.866   3.648
  111   HG21  ILE  14          HG21      ILE  14   6.718  -8.779   1.170
  112   HG22  ILE  14          HG22      ILE  14   7.686 -10.232   1.507
  113   HG23  ILE  14          HG23      ILE  14   6.691 -10.157   0.058
  114   HD11  ILE  14          HD11      ILE  14   6.692  -8.400   3.545
  115   HD12  ILE  14          HD12      ILE  14   4.925  -8.431   3.761
  116   HD13  ILE  14          HD13      ILE  14   5.981  -9.002   5.053
  117    H    GLU  15           H        GLU  15   4.686  -8.455  -0.603
  118    HA   GLU  15           HA       GLU  15   4.085 -10.643  -2.501
  119    HB2  GLU  15           HB2      GLU  15   3.243  -9.164  -4.114
  120    HB3  GLU  15           HB3      GLU  15   2.271  -8.966  -2.656
  121    HG2  GLU  15           HG2      GLU  15   3.422  -6.844  -2.159
  122    HG3  GLU  15           HG3      GLU  15   4.555  -7.128  -3.489
  123    H    ILE  16           H        ILE  16   5.441 -10.645  -4.234
  124    HA   ILE  16           HA       ILE  16   8.171  -9.527  -3.829
  125    HB   ILE  16           HB       ILE  16   7.190 -12.292  -4.630
  126   HG12  ILE  16          HG12      ILE  16   6.879 -12.015  -2.227
  127   HG13  ILE  16          HG13      ILE  16   8.042 -13.255  -2.641
  128   HG21  ILE  16          HG21      ILE  16  10.059 -11.316  -4.325
  129   HG22  ILE  16          HG22      ILE  16   9.562 -13.001  -4.625
  130   HG23  ILE  16          HG23      ILE  16   9.240 -11.762  -5.828
  131   HD11  ILE  16          HD11      ILE  16   9.905 -11.712  -2.086
  132   HD12  ILE  16          HD12      ILE  16   8.712 -10.458  -1.680
  133   HD13  ILE  16          HD13      ILE  16   8.795 -11.950  -0.723
  134    H    PHE  17           H        PHE  17   8.155  -8.048  -5.529
  135    HA   PHE  17           HA       PHE  17   6.673  -8.586  -8.015
  136    HB2  PHE  17           HB2      PHE  17   8.088  -6.318  -6.860
  137    HB3  PHE  17           HB3      PHE  17   8.630  -6.607  -8.506
  138    HD1  PHE  17           HD2      PHE  17   7.017  -6.600 -10.405
  139    HD2  PHE  17           HD1      PHE  17   5.780  -5.530  -6.395
  140    HE1  PHE  17           HE2      PHE  17   4.943  -5.584 -11.305
  141    HE2  PHE  17           HE1      PHE  17   3.719  -4.527  -7.313
  142    HZ   PHE  17           HZ       PHE  17   3.290  -4.545  -9.762
  143    H    ARG  18           H        ARG  18   7.575  -9.337  -9.996
  144    HA   ARG  18           HA       ARG  18  10.298 -10.513  -9.825
  145    HB2  ARG  18           HB2      ARG  18   7.627 -11.810 -10.571
  146    HB3  ARG  18           HB3      ARG  18   9.164 -12.507 -11.011
  147    HG2  ARG  18           HG2      ARG  18   9.430 -11.994  -8.251
  148    HG3  ARG  18           HG3      ARG  18   7.765 -12.521  -8.415
  149    HD2  ARG  18           HD2      ARG  18   8.372 -14.607  -9.291
  150    HD3  ARG  18           HD3      ARG  18   9.994 -14.071  -9.769
  151    HE   ARG  18           HE       ARG  18  10.527 -13.905  -7.330
  152   HH11  ARG  18          HH21      ARG  18   8.158 -16.332  -8.469
  153   HH12  ARG  18          HH22      ARG  18   8.475 -17.399  -7.139
  154   HH21  ARG  18          HH11      ARG  18  10.997 -15.336  -5.737
  155   HH22  ARG  18          HH12      ARG  18  10.142 -16.840  -5.565
  156    HA   PRO  19           HA       PRO  19  11.266  -8.929 -13.642
  157    HB2  PRO  19           HB2      PRO  19  11.311 -11.668 -14.934
  158    HB3  PRO  19           HB3      PRO  19  12.503 -10.336 -15.091
  159    HG2  PRO  19           HG2      PRO  19  12.986 -12.362 -13.374
  160    HG3  PRO  19           HG3      PRO  19  13.265 -10.671 -12.837
  161    HD2  PRO  19           HD2      PRO  19  10.919 -12.475 -12.247
  162    HD3  PRO  19           HD3      PRO  19  11.787 -11.366 -11.156
  163    H    PHE  20           H        PHE  20   8.619 -11.272 -14.103
  164    HA   PHE  20           HA       PHE  20   7.417  -9.465 -16.156
  165    HB2  PHE  20           HB2      PHE  20   7.563 -12.500 -16.305
  166    HB3  PHE  20           HB3      PHE  20   6.830 -11.433 -17.491
  167    HD1  PHE  20           HD1      PHE  20   8.392  -9.634 -18.612
  168    HD2  PHE  20           HD2      PHE  20   9.812 -13.190 -16.620
  169    HE1  PHE  20           HE1      PHE  20  10.542  -9.470 -19.843
  170    HE2  PHE  20           HE2      PHE  20  11.959 -13.019 -17.851
  171    HZ   PHE  20           HZ       PHE  20  12.330 -11.159 -19.463
  172    H    TYR  21           H        TYR  21   6.841 -10.499 -13.117
  173    HA   TYR  21           HA       TYR  21   4.017 -10.342 -13.249
  174    HB2  TYR  21           HB2      TYR  21   3.267 -12.469 -12.787
  175    HB3  TYR  21           HB3      TYR  21   4.388 -12.742 -14.089
  176    HD1  TYR  21           HD2      TYR  21   7.035 -13.020 -12.817
  177    HD2  TYR  21           HD1      TYR  21   3.165 -14.329 -11.430
  178    HE1  TYR  21           HE2      TYR  21   8.100 -14.868 -11.570
  179    HE2  TYR  21           HE1      TYR  21   4.228 -16.094 -10.083
  180    HH   TYR  21           HH       TYR  21   6.209 -17.167  -9.553
  181    H    ARG  22           H        ARG  22   3.523 -11.716 -10.702
  182    HA   ARG  22           HA       ARG  22   5.587 -10.717  -8.873
  183    HB2  ARG  22           HB2      ARG  22   4.312  -8.744  -9.011
  184    HB3  ARG  22           HB3      ARG  22   2.774  -9.585  -9.069
  185    HG2  ARG  22           HG2      ARG  22   4.463  -9.815  -6.568
  186    HG3  ARG  22           HG3      ARG  22   3.613  -8.321  -6.890
  187    HD2  ARG  22           HD2      ARG  22   1.885 -10.707  -7.294
  188    HD3  ARG  22           HD3      ARG  22   2.544 -10.609  -5.683
  189    HE   ARG  22           HE       ARG  22   1.477  -8.568  -5.258
  190   HH11  ARG  22          HH11      ARG  22   0.600  -9.616  -8.561
  191   HH12  ARG  22          HH12      ARG  22  -0.570  -8.364  -8.741
  192   HH21  ARG  22          HH21      ARG  22   0.192  -6.932  -5.558
  193   HH22  ARG  22          HH22      ARG  22  -0.870  -6.773  -6.946
  194    H    HIS  23           H        HIS  23   5.521 -11.795  -6.887
  195    HA   HIS  23           HA       HIS  23   3.854 -14.249  -6.792
  196    HB2  HIS  23           HB2      HIS  23   6.196 -14.707  -7.409
  197    HB3  HIS  23           HB3      HIS  23   6.793 -13.710  -6.091
  198    HD2  HIS  23           HD2      HIS  23   7.895 -15.243  -4.362
  199    HE1  HIS  23           HE1      HIS  23   5.032 -18.383  -4.240
  200    HE2  HIS  23           HE2      HIS  23   7.210 -17.512  -3.242
  201    H    TRP  24           H        TRP  24   3.861 -15.086  -4.367
  202    HA   TRP  24           HA       TRP  24   3.421 -12.765  -2.550
  203    HB2  TRP  24           HB2      TRP  24   1.388 -14.883  -3.312
  204    HB3  TRP  24           HB3      TRP  24   1.287 -13.930  -1.860
  205    HD1  TRP  24           HD1      TRP  24   1.001 -13.505  -5.666
  206    HE1  TRP  24           HE1      TRP  24  -0.359 -11.398  -6.137
  207    HE3  TRP  24           HE3      TRP  24   0.697 -11.712  -0.913
  208    HZ2  TRP  24           HZ2      TRP  24  -1.534  -9.209  -4.597
  209    HZ3  TRP  24           HZ3      TRP  24  -0.577  -9.638  -0.420
  210    HH2  TRP  24           HH2      TRP  24  -1.703  -8.391  -2.244
  211    H    ALA  25           H        ALA  25   3.527 -13.236  -0.386
  212    HA   ALA  25           HA       ALA  25   4.205 -15.935   0.538
  213    HB1  ALA  25           HB1      ALA  25   6.348 -14.884  -0.337
  214    HB2  ALA  25           HB2      ALA  25   6.128 -13.570   0.837
  215    HB3  ALA  25           HB3      ALA  25   6.359 -15.243   1.387
  216    H    ILE  26           H        ILE  26   4.538 -15.791   3.016
  217    HA   ILE  26           HA       ILE  26   3.077 -13.496   4.215
  218    HB   ILE  26           HB       ILE  26   1.711 -15.567   3.811
  219   HG12  ILE  26          HG12      ILE  26   1.966 -14.764   6.744
  220   HG13  ILE  26          HG13      ILE  26   1.215 -13.771   5.482
  221   HG21  ILE  26          HG21      ILE  26   3.292 -16.843   6.066
  222   HG22  ILE  26          HG22      ILE  26   1.910 -17.521   5.193
  223   HG23  ILE  26          HG23      ILE  26   3.422 -17.274   4.347
  224   HD11  ILE  26          HD11      ILE  26  -0.282 -15.734   4.920
  225   HD12  ILE  26          HD12      ILE  26   0.309 -16.505   6.408
  226   HD13  ILE  26          HD13      ILE  26  -0.576 -14.964   6.498
  227    H    TYR  27           H        TYR  27   4.069 -12.614   5.946
  228    HA   TYR  27           HA       TYR  27   6.820 -13.311   6.459
  229    HB2  TYR  27           HB2      TYR  27   5.810 -11.003   6.347
  230    HB3  TYR  27           HB3      TYR  27   4.952 -11.338   7.838
  231    HD1  TYR  27           HD2      TYR  27   8.453 -11.366   6.405
  232    HD2  TYR  27           HD1      TYR  27   5.952 -10.587   9.822
  233    HE1  TYR  27           HE2      TYR  27  10.387 -10.381   7.593
  234    HE2  TYR  27           HE1      TYR  27   7.890  -9.653  11.050
  235    HH   TYR  27           HH       TYR  27  10.193  -9.169  10.976
  236    H    VAL  28           H        VAL  28   7.646 -14.470   8.126
  237    HA   VAL  28           HA       VAL  28   5.987 -15.121  10.483
  238    HB   VAL  28           HB       VAL  28   6.588 -17.502  10.355
  239   HG11  VAL  28          HG11      VAL  28   4.377 -16.749   9.498
  240   HG12  VAL  28          HG12      VAL  28   5.058 -16.675   7.861
  241   HG13  VAL  28          HG13      VAL  28   4.974 -18.223   8.718
  242   HG21  VAL  28          HG21      VAL  28   8.583 -17.324   8.859
  243   HG22  VAL  28          HG22      VAL  28   7.424 -18.557   8.360
  244   HG23  VAL  28          HG23      VAL  28   7.495 -17.007   7.492
  245    H    GLY  29           H        GLY  29   7.359 -16.165  12.220
  246    HA2  GLY  29           HA2      GLY  29   9.080 -15.829  13.709
  247    HA3  GLY  29           HA3      GLY  29  10.195 -15.837  12.324
  248    H    ASP  30           H        ASP  30  11.362 -13.964  12.388
  249    HA   ASP  30           HA       ASP  30   9.871 -11.487  11.997
  250    HB2  ASP  30           HB2      ASP  30  10.290 -11.432  14.427
  251    HB3  ASP  30           HB3      ASP  30  12.022 -11.632  14.134
  252    H    GLY  31           H        GLY  31  10.814 -12.823  10.029
  253    HA2  GLY  31           HA2      GLY  31  12.482 -11.245   8.589
  254    HA3  GLY  31           HA3      GLY  31  13.633 -12.314   9.404
  255    H    TYR  32           H        TYR  32  10.984 -14.289   9.054
  256    HA   TYR  32           HA       TYR  32  12.081 -15.409   6.522
  257    HB2  TYR  32           HB2      TYR  32  10.813 -16.673   8.971
  258    HB3  TYR  32           HB3      TYR  32  10.945 -17.517   7.436
  259    HD1  TYR  32           HD1      TYR  32  12.951 -15.949  10.179
  260    HD2  TYR  32           HD2      TYR  32  12.993 -18.479   6.675
  261    HE1  TYR  32           HE1      TYR  32  15.278 -16.623  10.693
  262    HE2  TYR  32           HE2      TYR  32  15.316 -19.153   7.180
  263    HH   TYR  32           HH       TYR  32  17.126 -18.921   8.632
  264    H    VAL  33           H        VAL  33  10.460 -16.610   5.246
  265    HA   VAL  33           HA       VAL  33   7.702 -15.648   5.550
  266    HB   VAL  33           HB       VAL  33   7.597 -15.397   3.050
  267   HG11  VAL  33          HG11      VAL  33   8.457 -13.093   2.971
  268   HG12  VAL  33          HG12      VAL  33   7.502 -13.429   4.415
  269   HG13  VAL  33          HG13      VAL  33   9.275 -13.363   4.529
  270   HG21  VAL  33          HG21      VAL  33   9.691 -16.493   2.381
  271   HG22  VAL  33          HG22      VAL  33   9.633 -14.828   1.789
  272   HG23  VAL  33          HG23      VAL  33  10.633 -15.238   3.199
  273    H    VAL  34           H        VAL  34   6.158 -17.060   4.674
  274    HA   VAL  34           HA       VAL  34   7.102 -19.700   3.661
  275    HB   VAL  34           HB       VAL  34   4.748 -18.859   5.382
  276   HG11  VAL  34          HG11      VAL  34   4.950 -21.441   3.788
  277   HG12  VAL  34          HG12      VAL  34   3.826 -21.166   5.135
  278   HG13  VAL  34          HG13      VAL  34   3.679 -20.193   3.668
  279   HG21  VAL  34          HG21      VAL  34   5.566 -20.665   6.822
  280   HG22  VAL  34          HG22      VAL  34   6.765 -21.117   5.599
  281   HG23  VAL  34          HG23      VAL  34   6.882 -19.547   6.423
  282    H    HIS  35           H        HIS  35   6.226 -20.346   1.676
  283    HA   HIS  35           HA       HIS  35   4.226 -18.755   0.297
  284    HB2  HIS  35           HB2      HIS  35   5.659 -17.863  -1.443
  285    HB3  HIS  35           HB3      HIS  35   6.145 -17.239   0.115
  286    HD2  HIS  35           HD2      HIS  35   7.909 -20.358   0.334
  287    HE1  HIS  35           HE1      HIS  35  10.520 -17.959  -2.002
  288    HE2  HIS  35           HE2      HIS  35  10.338 -20.062  -0.582
  289    H    LEU  36           H        LEU  36   4.178 -19.446  -2.118
  290    HA   LEU  36           HA       LEU  36   4.481 -22.370  -2.311
  291    HB2  LEU  36           HB2      LEU  36   3.386 -20.189  -4.128
  292    HB3  LEU  36           HB3      LEU  36   3.812 -21.754  -4.786
  293    HG   LEU  36           HG       LEU  36   1.445 -21.624  -4.383
  294   HD11  LEU  36          HD11      LEU  36   1.099 -23.687  -3.165
  295   HD12  LEU  36          HD12      LEU  36   2.570 -23.831  -4.146
  296   HD13  LEU  36          HD13      LEU  36   2.682 -23.571  -2.393
  297   HD21  LEU  36          HD21      LEU  36   2.039 -21.354  -1.412
  298   HD22  LEU  36          HD22      LEU  36   1.440 -20.050  -2.472
  299   HD23  LEU  36          HD23      LEU  36   0.462 -21.505  -2.201
  300    H    ALA  37           H        ALA  37   5.952 -23.382  -3.705
  301    HA   ALA  37           HA       ALA  37   7.833 -21.789  -5.313
  302    HB1  ALA  37           HB1      ALA  37   9.744 -23.077  -4.343
  303    HB2  ALA  37           HB2      ALA  37   8.946 -22.089  -3.100
  304    HB3  ALA  37           HB3      ALA  37   8.625 -23.838  -3.196
  305    HA   PRO  38           HA       PRO  38   7.190 -25.498  -7.830
  306    HB2  PRO  38           HB2      PRO  38   9.591 -25.803  -9.144
  307    HB3  PRO  38           HB3      PRO  38   8.385 -24.552  -9.560
  308    HG2  PRO  38           HG2      PRO  38  10.842 -24.254  -7.808
  309    HG3  PRO  38           HG3      PRO  38  10.298 -23.189  -9.144
  310    HD2  PRO  38           HD2      PRO  38   9.767 -22.604  -6.543
  311    HD3  PRO  38           HD3      PRO  38   8.558 -22.275  -7.818
  312    HA   PRO  39           HA       PRO  39   8.713 -28.728  -5.244
  313    HB2  PRO  39           HB2      PRO  39   8.768 -30.969  -6.843
  314    HB3  PRO  39           HB3      PRO  39   7.262 -30.152  -6.346
  315    HG2  PRO  39           HG2      PRO  39   8.802 -29.796  -8.934
  316    HG3  PRO  39           HG3      PRO  39   7.048 -30.105  -8.720
  317    HD2  PRO  39           HD2      PRO  39   8.026 -27.597  -9.099
  318    HD3  PRO  39           HD3      PRO  39   6.660 -27.893  -7.983
  319    H    SER  40           H        SER  40  10.771 -27.449  -7.587
  320    HA   SER  40           HA       SER  40  12.874 -29.122  -8.001
  321    HB2  SER  40           HB2      SER  40  13.190 -26.180  -7.330
  322    HB3  SER  40           HB3      SER  40  14.063 -27.139  -8.538
  323    HG   SER  40           HG       SER  40  12.489 -25.829  -9.517
  324    H    GLU  41           H        GLU  41  14.601 -29.880  -6.850
  325    HA   GLU  41           HA       GLU  41  15.363 -28.687  -4.273
  326    HB2  GLU  41           HB2      GLU  41  13.564 -30.536  -3.990
  327    HB3  GLU  41           HB3      GLU  41  14.810 -31.677  -4.490
  328    HG2  GLU  41           HG2      GLU  41  16.219 -30.900  -2.545
  329    HG3  GLU  41           HG3      GLU  41  14.960 -29.745  -2.122
  330    H    VAL  42           H        VAL  42  16.547 -28.533  -6.827
  331    HA   VAL  42           HA       VAL  42  19.093 -29.984  -6.531
  332    HB   VAL  42           HB       VAL  42  19.046 -30.565  -8.961
  333   HG11  VAL  42          HG11      VAL  42  17.749 -32.596  -8.769
  334   HG12  VAL  42          HG12      VAL  42  18.555 -32.270  -7.227
  335   HG13  VAL  42          HG13      VAL  42  16.818 -31.941  -7.410
  336   HG21  VAL  42          HG21      VAL  42  16.955 -30.710 -10.203
  337   HG22  VAL  42          HG22      VAL  42  16.044 -30.011  -8.855
  338   HG23  VAL  42          HG23      VAL  42  17.241 -29.032  -9.731
  339    H    ALA  43           H        ALA  43  20.722 -29.052  -8.050
  340    HA   ALA  43           HA       ALA  43  21.986 -27.373  -8.717
  341    HB1  ALA  43           HB1      ALA  43  20.438 -27.537 -10.639
  342    HB2  ALA  43           HB2      ALA  43  19.451 -26.233  -9.940
  343    HB3  ALA  43           HB3      ALA  43  21.121 -25.914 -10.444
  344    H    GLY  44           H        GLY  44  20.505 -26.979  -6.040
  345    HA2  GLY  44           HA2      GLY  44  20.724 -25.491  -4.317
  346    HA3  GLY  44           HA3      GLY  44  21.895 -24.623  -5.309
  347    H    ALA  45           H        ALA  45  20.999 -22.735  -4.234
  348    HA   ALA  45           HA       ALA  45  18.969 -21.395  -5.826
  349    HB1  ALA  45           HB1      ALA  45  17.677 -20.642  -3.847
  350    HB2  ALA  45           HB2      ALA  45  17.590 -22.404  -4.007
  351    HB3  ALA  45           HB3      ALA  45  18.666 -21.674  -2.792
  352    H    GLY  46           H        GLY  46  18.950 -18.979  -5.023
  353    HA2  GLY  46           HA2      GLY  46  21.074 -17.939  -3.463
  354    HA3  GLY  46           HA3      GLY  46  21.545 -17.922  -5.172
  355    H    ALA  47           H        ALA  47  21.484 -15.532  -4.366
  356    HA   ALA  47           HA       ALA  47  19.088 -14.187  -3.835
  357    HB1  ALA  47           HB1      ALA  47  21.353 -13.357  -3.285
  358    HB2  ALA  47           HB2      ALA  47  21.677 -13.091  -5.017
  359    HB3  ALA  47           HB3      ALA  47  20.421 -12.150  -4.185
  360    H    ALA  48           H        ALA  48  19.850 -15.520  -6.862
  361    HA   ALA  48           HA       ALA  48  18.594 -13.557  -8.580
  362    HB1  ALA  48           HB1      ALA  48  20.030 -15.364  -9.471
  363    HB2  ALA  48           HB2      ALA  48  18.877 -16.585  -8.874
  364    HB3  ALA  48           HB3      ALA  48  18.395 -15.451 -10.152
  365    H    SER  49           H        SER  49  17.441 -15.928  -6.248
  366    HA   SER  49           HA       SER  49  15.438 -16.655  -5.582
  367    HB2  SER  49           HB2      SER  49  14.373 -14.020  -6.597
  368    HB3  SER  49           HB3      SER  49  13.783 -14.960  -5.220
  369    HG   SER  49           HG       SER  49  15.614 -14.444  -4.083
  370    H    VAL  50           H        VAL  50  16.111 -17.235  -8.462
  371    HA   VAL  50           HA       VAL  50  13.780 -16.986 -10.056
  372    HB   VAL  50           HB       VAL  50  16.058 -17.170 -10.916
  373   HG11  VAL  50          HG11      VAL  50  17.263 -19.284 -11.085
  374   HG12  VAL  50          HG12      VAL  50  17.025 -18.858  -9.388
  375   HG13  VAL  50          HG13      VAL  50  16.015 -20.112 -10.137
  376   HG21  VAL  50          HG21      VAL  50  14.152 -17.718 -12.388
  377   HG22  VAL  50          HG22      VAL  50  15.632 -18.581 -12.829
  378   HG23  VAL  50          HG23      VAL  50  14.340 -19.441 -11.977
  379    H    MET  51           H        MET  51  12.216 -18.507 -10.662
  380    HA   MET  51           HA       MET  51  11.963 -21.047  -9.178
  381    HB2  MET  51           HB2      MET  51   9.970 -18.742  -9.057
  382    HB3  MET  51           HB3      MET  51   9.521 -20.425  -8.757
  383    HG2  MET  51           HG2      MET  51  11.296 -20.552  -7.000
  384    HG3  MET  51           HG3      MET  51  11.553 -18.813  -7.180
  385    HE1  MET  51           HE1      MET  51  10.738 -20.765  -4.645
  386    HE2  MET  51           HE2      MET  51  11.126 -19.057  -4.342
  387    HE3  MET  51           HE3      MET  51   9.598 -19.753  -3.738
  388    H    SER  52           H        SER  52  12.741 -21.546 -11.399
  389    HA   SER  52           HA       SER  52  11.352 -21.077 -13.755
  390    HB2  SER  52           HB2      SER  52  12.840 -23.626 -13.016
  391    HB3  SER  52           HB3      SER  52  12.661 -22.904 -14.625
  392    HG   SER  52           HG       SER  52  14.702 -22.442 -13.691
  393    H    ALA  53           H        ALA  53   9.887 -22.325 -14.984
  394    HA   ALA  53           HA       ALA  53   7.815 -23.737 -13.507
  395    HB1  ALA  53           HB1      ALA  53   8.144 -23.147 -16.484
  396    HB2  ALA  53           HB2      ALA  53   6.688 -23.798 -15.702
  397    HB3  ALA  53           HB3      ALA  53   7.245 -22.161 -15.306
  398    H    LEU  54           H        LEU  54   9.723 -25.277 -12.839
  399    HA   LEU  54           HA       LEU  54  10.733 -27.253 -14.583
  400    HB2  LEU  54           HB2      LEU  54  11.556 -26.811 -12.281
  401    HB3  LEU  54           HB3      LEU  54  10.044 -27.435 -11.618
  402    HG   LEU  54           HG       LEU  54  10.564 -29.692 -12.529
  403   HD11  LEU  54          HD11      LEU  54  13.200 -28.427 -13.407
  404   HD12  LEU  54          HD12      LEU  54  12.861 -30.171 -13.367
  405   HD13  LEU  54          HD13      LEU  54  11.962 -29.132 -14.471
  406   HD21  LEU  54          HD21      LEU  54  12.349 -30.245 -10.970
  407   HD22  LEU  54          HD22      LEU  54  12.819 -28.532 -10.858
  408   HD23  LEU  54          HD23      LEU  54  11.243 -29.068 -10.242
  409    H    THR  55           H        THR  55   7.567 -26.970 -13.032
  410    HA   THR  55           HA       THR  55   6.465 -29.274 -14.462
  411    HB   THR  55           HB       THR  55   5.395 -29.921 -12.182
  412    HG1  THR  55           HG1      THR  55   6.243 -28.074 -11.029
  413   HG21  THR  55          HG21      THR  55   7.139 -31.437 -11.540
  414   HG22  THR  55          HG22      THR  55   7.101 -31.347 -13.310
  415   HG23  THR  55          HG23      THR  55   8.368 -30.493 -12.399
  416    H    ASP  56           H        ASP  56   3.962 -29.217 -13.920
  417    HA   ASP  56           HA       ASP  56   3.103 -26.404 -13.795
  418    HB2  ASP  56           HB2      ASP  56   1.216 -26.957 -15.021
  419    HB3  ASP  56           HB3      ASP  56   2.471 -27.944 -15.767
  420    H    LYS  57           H        LYS  57   3.831 -28.207 -11.564
  421    HA   LYS  57           HA       LYS  57   1.480 -27.691  -9.826
  422    HB2  LYS  57           HB2      LYS  57   1.883 -29.625  -8.586
  423    HB3  LYS  57           HB3      LYS  57   2.001 -30.141 -10.274
  424    HG2  LYS  57           HG2      LYS  57   4.512 -29.987 -10.092
  425    HG3  LYS  57           HG3      LYS  57   4.350 -29.606  -8.378
  426    HD2  LYS  57           HD2      LYS  57   3.530 -32.148  -9.792
  427    HD3  LYS  57           HD3      LYS  57   4.871 -31.957  -8.663
  428    HE2  LYS  57           HE2      LYS  57   1.896 -31.728  -8.013
  429    HE3  LYS  57           HE3      LYS  57   2.932 -33.086  -7.591
  430    HZ1  LYS  57           HZ1      LYS  57   2.390 -31.106  -5.954
  431    HZ2  LYS  57           HZ2      LYS  57   3.808 -31.953  -5.842
  432    HZ3  LYS  57           HZ3      LYS  57   3.741 -30.470  -6.572
  433    H    ALA  58           H        ALA  58   2.416 -27.723  -7.390
  434    HA   ALA  58           HA       ALA  58   5.041 -26.473  -7.099
  435    HB1  ALA  58           HB1      ALA  58   4.133 -24.419  -6.072
  436    HB2  ALA  58           HB2      ALA  58   3.573 -24.561  -7.749
  437    HB3  ALA  58           HB3      ALA  58   2.478 -24.949  -6.413
  438    H    ILE  59           H        ILE  59   5.129 -25.749  -4.670
  439    HA   ILE  59           HA       ILE  59   3.662 -27.500  -2.855
  440    HB   ILE  59           HB       ILE  59   5.613 -28.484  -1.907
  441   HG12  ILE  59          HG12      ILE  59   7.417 -27.164  -3.960
  442   HG13  ILE  59          HG13      ILE  59   7.225 -26.597  -2.298
  443   HG21  ILE  59          HG21      ILE  59   5.938 -28.937  -4.888
  444   HG22  ILE  59          HG22      ILE  59   6.284 -30.081  -3.580
  445   HG23  ILE  59          HG23      ILE  59   4.625 -29.632  -3.921
  446   HD11  ILE  59          HD11      ILE  59   9.180 -27.997  -2.372
  447   HD12  ILE  59          HD12      ILE  59   7.911 -28.828  -1.446
  448   HD13  ILE  59          HD13      ILE  59   8.277 -29.326  -3.109
  449    H    VAL  60           H        VAL  60   4.325 -26.779  -0.492
  450    HA   VAL  60           HA       VAL  60   4.712 -23.825  -0.547
  451    HB   VAL  60           HB       VAL  60   3.876 -25.639   1.718
  452   HG11  VAL  60          HG11      VAL  60   3.060 -23.578   2.791
  453   HG12  VAL  60          HG12      VAL  60   4.774 -23.403   2.409
  454   HG13  VAL  60          HG13      VAL  60   3.559 -22.618   1.383
  455   HG21  VAL  60          HG21      VAL  60   2.124 -25.770  -0.024
  456   HG22  VAL  60          HG22      VAL  60   1.554 -24.854   1.366
  457   HG23  VAL  60          HG23      VAL  60   2.058 -23.992  -0.101
  458    H    LYS  61           H        LYS  61   6.510 -22.930   0.457
  459    HA   LYS  61           HA       LYS  61   8.473 -24.686   1.843
  460    HB2  LYS  61           HB2      LYS  61   9.009 -22.828  -0.520
  461    HB3  LYS  61           HB3      LYS  61  10.271 -23.259   0.635
  462    HG2  LYS  61           HG2      LYS  61   9.844 -25.682   0.171
  463    HG3  LYS  61           HG3      LYS  61   8.753 -25.185  -1.145
  464    HD2  LYS  61           HD2      LYS  61  10.716 -23.823  -2.080
  465    HD3  LYS  61           HD3      LYS  61  11.736 -24.594  -0.861
  466    HE2  LYS  61           HE2      LYS  61  11.162 -26.828  -1.801
  467    HE3  LYS  61           HE3      LYS  61  10.150 -26.051  -3.031
  468    HZ1  LYS  61           HZ1      LYS  61  12.129 -24.974  -3.904
  469    HZ2  LYS  61           HZ2      LYS  61  13.074 -25.649  -2.746
  470    HZ3  LYS  61           HZ3      LYS  61  12.366 -26.589  -3.875
  471    H    LYS  62           H        LYS  62  10.170 -23.230   2.862
  472    HA   LYS  62           HA       LYS  62   9.116 -20.600   3.726
  473    HB2  LYS  62           HB2      LYS  62   8.662 -22.261   5.501
  474    HB3  LYS  62           HB3      LYS  62  10.356 -22.757   5.499
  475    HG2  LYS  62           HG2      LYS  62  11.029 -20.540   6.348
  476    HG3  LYS  62           HG3      LYS  62   9.343 -19.983   6.266
  477    HD2  LYS  62           HD2      LYS  62   8.670 -21.729   7.877
  478    HD3  LYS  62           HD3      LYS  62  10.344 -22.318   7.957
  479    HE2  LYS  62           HE2      LYS  62  11.086 -20.156   8.883
  480    HE3  LYS  62           HE3      LYS  62   9.446 -19.506   8.720
  481    HZ1  LYS  62           HZ1      LYS  62   8.687 -21.218  10.283
  482    HZ2  LYS  62           HZ2      LYS  62  10.225 -21.754  10.483
  483    HZ3  LYS  62           HZ3      LYS  62   9.824 -20.250  10.973
  484    H    GLU  63           H        GLU  63  10.803 -19.038   3.936
  485    HA   GLU  63           HA       GLU  63  13.601 -19.798   3.502
  486    HB2  GLU  63           HB2      GLU  63  11.954 -18.156   1.514
  487    HB3  GLU  63           HB3      GLU  63  13.708 -18.118   1.563
  488    HG2  GLU  63           HG2      GLU  63  11.985 -20.525   0.882
  489    HG3  GLU  63           HG3      GLU  63  12.899 -19.533  -0.236
  490    H    LEU  64           H        LEU  64  14.984 -17.861   3.804
  491    HA   LEU  64           HA       LEU  64  13.929 -15.914   5.692
  492    HB2  LEU  64           HB2      LEU  64  16.353 -16.733   5.579
  493    HB3  LEU  64           HB3      LEU  64  16.496 -15.888   4.036
  494    HG   LEU  64           HG       LEU  64  15.858 -13.736   5.309
  495   HD11  LEU  64          HD11      LEU  64  16.585 -15.454   7.729
  496   HD12  LEU  64          HD12      LEU  64  16.229 -13.713   7.728
  497   HD13  LEU  64          HD13      LEU  64  14.952 -14.879   7.368
  498   HD21  LEU  64          HD21      LEU  64  18.437 -15.193   6.026
  499   HD22  LEU  64          HD22      LEU  64  18.148 -14.203   4.580
  500   HD23  LEU  64          HD23      LEU  64  18.166 -13.446   6.182
  501    H    LEU  65           H        LEU  65  13.181 -13.778   5.135
  502    HA   LEU  65           HA       LEU  65  11.915 -13.513   2.660
  503    HB2  LEU  65           HB2      LEU  65  11.294 -12.269   4.660
  504    HB3  LEU  65           HB3      LEU  65  12.767 -11.313   4.594
  505    HG   LEU  65           HG       LEU  65  10.995 -11.322   2.137
  506   HD11  LEU  65          HD11      LEU  65   9.359 -11.015   3.960
  507   HD12  LEU  65          HD12      LEU  65  10.355  -9.733   4.673
  508   HD13  LEU  65          HD13      LEU  65   9.593  -9.500   3.085
  509   HD21  LEU  65          HD21      LEU  65  12.481  -9.053   3.575
  510   HD22  LEU  65          HD22      LEU  65  13.133  -9.949   2.200
  511   HD23  LEU  65          HD23      LEU  65  11.690  -8.971   1.988
  512    H    TYR  66           H        TYR  66  15.131 -12.239   3.587
  513    HA   TYR  66           HA       TYR  66  15.494 -10.699   1.264
  514    HB2  TYR  66           HB2      TYR  66  17.600 -11.984   3.032
  515    HB3  TYR  66           HB3      TYR  66  17.862 -10.652   1.910
  516    HD1  TYR  66           HD1      TYR  66  16.280  -8.534   2.226
  517    HD2  TYR  66           HD2      TYR  66  17.093 -11.452   5.302
  518    HE1  TYR  66           HE1      TYR  66  15.548  -6.917   3.952
  519    HE2  TYR  66           HE2      TYR  66  16.365  -9.846   7.030
  520    HH   TYR  66           HH       TYR  66  15.546  -7.705   7.460
  521    H    ASP  67           H        ASP  67  15.717 -14.193   1.600
  522    HA   ASP  67           HA       ASP  67  17.394 -14.603  -0.759
  523    HB2  ASP  67           HB2      ASP  67  17.210 -16.276   1.076
  524    HB3  ASP  67           HB3      ASP  67  15.502 -16.499   0.684
  525    H    VAL  68           H        VAL  68  13.993 -14.014  -0.088
  526    HA   VAL  68           HA       VAL  68  13.123 -14.930  -2.754
  527    HB   VAL  68           HB       VAL  68  11.446 -13.721  -0.500
  528   HG11  VAL  68          HG11      VAL  68  10.391 -13.935  -2.756
  529   HG12  VAL  68          HG12      VAL  68  10.762 -15.664  -2.769
  530   HG13  VAL  68          HG13      VAL  68   9.629 -15.000  -1.570
  531   HG21  VAL  68          HG21      VAL  68  12.537 -15.616   0.544
  532   HG22  VAL  68          HG22      VAL  68  10.912 -16.127   0.103
  533   HG23  VAL  68          HG23      VAL  68  12.293 -16.630  -0.893
  534    H    ALA  69           H        ALA  69  13.507 -11.971  -0.829
  535    HA   ALA  69           HA       ALA  69  12.243 -10.084  -2.430
  536    HB1  ALA  69           HB1      ALA  69  13.042  -9.614  -0.184
  537    HB2  ALA  69           HB2      ALA  69  14.736  -9.883  -0.683
  538    HB3  ALA  69           HB3      ALA  69  13.851  -8.492  -1.302
  539    H    GLY  70           H        GLY  70  15.321 -11.675  -3.040
  540    HA2  GLY  70           HA2      GLY  70  16.571  -9.749  -4.697
  541    HA3  GLY  70           HA3      GLY  70  16.875 -11.492  -4.662
  542    H    SER  71           H        SER  71  13.746 -11.645  -5.355
  543    HA   SER  71           HA       SER  71  13.938 -12.297  -8.029
  544    HB2  SER  71           HB2      SER  71  11.483 -11.147  -6.651
  545    HB3  SER  71           HB3      SER  71  11.539 -12.154  -8.107
  546    HG   SER  71           HG       SER  71  12.154 -12.897  -5.420
  547    H    ASP  72           H        ASP  72  12.883  -9.147  -6.712
  548    HA   ASP  72           HA       ASP  72  14.266  -7.632  -8.670
  549    HB2  ASP  72           HB2      ASP  72  12.383  -8.111 -10.167
  550    HB3  ASP  72           HB3      ASP  72  11.247  -7.725  -8.873
  551    H    LYS  73           H        LYS  73  11.379  -7.543  -6.604
  552    HA   LYS  73           HA       LYS  73  12.569  -5.991  -4.536
  553    HB2  LYS  73           HB2      LYS  73  11.287  -3.916  -4.758
  554    HB3  LYS  73           HB3      LYS  73  12.302  -4.157  -6.180
  555    HG2  LYS  73           HG2      LYS  73  10.292  -5.051  -7.400
  556    HG3  LYS  73           HG3      LYS  73   9.302  -4.628  -5.994
  557    HD2  LYS  73           HD2      LYS  73   9.773  -2.293  -6.238
  558    HD3  LYS  73           HD3      LYS  73  11.003  -2.575  -7.478
  559    HE2  LYS  73           HE2      LYS  73   8.123  -3.486  -7.864
  560    HE3  LYS  73           HE3      LYS  73   8.596  -1.818  -8.199
  561    HZ1  LYS  73           HZ1      LYS  73   9.944  -4.134  -9.491
  562    HZ2  LYS  73           HZ2      LYS  73   8.691  -3.301 -10.158
  563    HZ3  LYS  73           HZ3      LYS  73  10.104  -2.552  -9.857
  564    H    TYR  74           H        TYR  74  10.442  -5.214  -3.047
  565    HA   TYR  74           HA       TYR  74   8.220  -7.082  -3.297
  566    HB2  TYR  74           HB2      TYR  74   8.614  -8.219  -1.210
  567    HB3  TYR  74           HB3      TYR  74  10.003  -8.460  -2.234
  568    HD1  TYR  74           HD1      TYR  74  12.127  -7.058  -1.749
  569    HD2  TYR  74           HD2      TYR  74   8.756  -7.137   0.939
  570    HE1  TYR  74           HE1      TYR  74  13.549  -6.130   0.048
  571    HE2  TYR  74           HE2      TYR  74  10.162  -6.169   2.732
  572    HH   TYR  74           HH       TYR  74  13.645  -5.413   2.262
  573    H    GLN  75           H        GLN  75   6.643  -6.678  -1.455
  574    HA   GLN  75           HA       GLN  75   7.115  -4.445   0.273
  575    HB2  GLN  75           HB2      GLN  75   5.205  -3.039  -0.440
  576    HB3  GLN  75           HB3      GLN  75   6.516  -3.092  -1.607
  577    HG2  GLN  75           HG2      GLN  75   5.165  -4.852  -2.884
  578    HG3  GLN  75           HG3      GLN  75   3.808  -4.457  -1.825
  579   HE21  GLN  75          HE22      GLN  75   3.825  -4.143  -4.704
  580   HE22  GLN  75          HE21      GLN  75   3.763  -2.423  -5.068
  581    H    VAL  76           H        VAL  76   5.321  -4.177   1.860
  582    HA   VAL  76           HA       VAL  76   3.961  -6.702   2.477
  583    HB   VAL  76           HB       VAL  76   3.604  -3.977   3.797
  584   HG11  VAL  76          HG11      VAL  76   1.914  -5.725   4.375
  585   HG12  VAL  76          HG12      VAL  76   3.222  -6.813   4.871
  586   HG13  VAL  76          HG13      VAL  76   2.927  -5.304   5.759
  587   HG21  VAL  76          HG21      VAL  76   5.260  -4.709   5.506
  588   HG22  VAL  76          HG22      VAL  76   5.679  -6.102   4.482
  589   HG23  VAL  76          HG23      VAL  76   5.996  -4.446   3.929
  590    H    ASN  77           H        ASN  77   1.772  -7.045   1.976
  591    HA   ASN  77           HA       ASN  77   0.137  -4.822   0.966
  592    HB2  ASN  77           HB2      ASN  77   1.386  -5.554  -1.069
  593    HB3  ASN  77           HB3      ASN  77   0.695  -7.169  -0.889
  594   HD21  ASN  77          HD21      ASN  77   0.016  -6.343  -3.219
  595   HD22  ASN  77          HD22      ASN  77  -1.556  -5.557  -3.296
  596    H    ASN  78           H        ASN  78  -0.661  -5.609   3.150
  597    HA   ASN  78           HA       ASN  78  -2.170  -8.055   3.342
  598    HB2  ASN  78           HB2      ASN  78  -2.386  -5.372   4.754
  599    HB3  ASN  78           HB3      ASN  78  -3.490  -6.701   5.086
  600   HD21  ASN  78          HD22      ASN  78  -1.333  -5.354   6.782
  601   HD22  ASN  78          HD21      ASN  78  -0.505  -6.756   7.449
  602    H    LYS  79           H        LYS  79  -3.851  -8.607   2.099
  603    HA   LYS  79           HA       LYS  79  -5.264  -6.766   0.405
  604    HB2  LYS  79           HB2      LYS  79  -5.818  -9.631   1.288
  605    HB3  LYS  79           HB3      LYS  79  -6.836  -8.797   0.135
  606    HG2  LYS  79           HG2      LYS  79  -3.873  -9.408  -0.238
  607    HG3  LYS  79           HG3      LYS  79  -5.209 -10.288  -0.955
  608    HD2  LYS  79           HD2      LYS  79  -4.348  -7.436  -1.555
  609    HD3  LYS  79           HD3      LYS  79  -4.224  -8.832  -2.610
  610    HE2  LYS  79           HE2      LYS  79  -6.816  -7.491  -1.707
  611    HE3  LYS  79           HE3      LYS  79  -6.048  -7.341  -3.288
  612    HZ1  LYS  79           HZ1      LYS  79  -7.268  -9.793  -2.178
  613    HZ2  LYS  79           HZ2      LYS  79  -7.765  -8.933  -3.470
  614    HZ3  LYS  79           HZ3      LYS  79  -6.365  -9.788  -3.543
  615    H    HIS  80           H        HIS  80  -5.642  -7.289   3.761
  616    HA   HIS  80           HA       HIS  80  -8.481  -6.389   3.723
  617    HB2  HIS  80           HB2      HIS  80  -7.139  -8.301   5.665
  618    HB3  HIS  80           HB3      HIS  80  -8.817  -7.810   5.655
  619    HD2  HIS  80           HD2      HIS  80  -6.404 -10.253   4.029
  620    HE1  HIS  80           HE1      HIS  80 -10.006 -10.726   1.816
  621    HE2  HIS  80           HE2      HIS  80  -7.632 -11.612   2.178
  622    H    ASP  81           H        ASP  81  -5.982  -4.704   4.023
  623    HA   ASP  81           HA       ASP  81  -5.973  -3.996   6.831
  624    HB2  ASP  81           HB2      ASP  81  -4.071  -3.673   5.174
  625    HB3  ASP  81           HB3      ASP  81  -5.056  -2.435   4.382
  626    H    ASP  82           H        ASP  82  -8.484  -3.995   5.284
  627    HA   ASP  82           HA       ASP  82  -9.623  -1.455   6.372
  628    HB2  ASP  82           HB2      ASP  82  -9.500  -1.258   3.925
  629    HB3  ASP  82           HB3      ASP  82 -10.326  -2.804   3.740
  630    H    LYS  83           H        LYS  83  -9.492  -4.802   6.570
  631    HA   LYS  83           HA       LYS  83 -12.308  -5.097   7.516
  632    HB2  LYS  83           HB2      LYS  83 -10.855  -7.195   5.886
  633    HB3  LYS  83           HB3      LYS  83 -12.540  -7.178   6.366
  634    HG2  LYS  83           HG2      LYS  83 -11.297  -5.304   4.318
  635    HG3  LYS  83           HG3      LYS  83 -12.180  -6.789   3.982
  636    HD2  LYS  83           HD2      LYS  83 -14.139  -5.807   5.335
  637    HD3  LYS  83           HD3      LYS  83 -13.314  -4.251   5.245
  638    HE2  LYS  83           HE2      LYS  83 -14.089  -6.000   2.881
  639    HE3  LYS  83           HE3      LYS  83 -15.060  -4.651   3.490
  640    HZ1  LYS  83           HZ1      LYS  83 -13.779  -3.875   1.661
  641    HZ2  LYS  83           HZ2      LYS  83 -13.139  -3.181   3.003
  642    HZ3  LYS  83           HZ3      LYS  83 -12.375  -4.438   2.266
  643    H    TYR  84           H        TYR  84  -8.930  -6.087   7.681
  644    HA   TYR  84           HA       TYR  84  -7.643  -6.907   9.176
  645    HB2  TYR  84           HB2      TYR  84  -9.796  -6.302  11.196
  646    HB3  TYR  84           HB3      TYR  84  -8.052  -6.342  11.468
  647    HD1  TYR  84           HD2      TYR  84  -6.740  -4.893   9.533
  648    HD2  TYR  84           HD1      TYR  84 -10.738  -4.145  10.959
  649    HE1  TYR  84           HE2      TYR  84  -6.601  -2.563   8.692
  650    HE2  TYR  84           HE1      TYR  84 -10.645  -1.844  10.059
  651    HH   TYR  84           HH       TYR  84  -7.764  -0.570   8.337
  652    H    SER  85           H        SER  85  -6.897  -8.405  10.465
  653    HA   SER  85           HA       SER  85  -7.208 -10.945   9.964
  654    HB2  SER  85           HB2      SER  85  -6.466 -10.038  12.747
  655    HB3  SER  85           HB3      SER  85  -5.758 -11.333  11.766
  656    HG   SER  85           HG       SER  85  -4.659  -9.160  11.980
  657    HA   PRO  86           HA       PRO  86 -10.972 -12.240  12.314
  658    HB2  PRO  86           HB2      PRO  86 -11.509 -14.498  10.888
  659    HB3  PRO  86           HB3      PRO  86 -11.978 -12.864  10.316
  660    HG2  PRO  86           HG2      PRO  86  -9.569 -14.516   9.518
  661    HG3  PRO  86           HG3      PRO  86 -10.694 -13.603   8.464
  662    HD2  PRO  86           HD2      PRO  86  -8.274 -12.600   9.271
  663    HD3  PRO  86           HD3      PRO  86  -9.710 -11.563   9.016
  664    H    LEU  87           H        LEU  87  -7.908 -13.575  11.641
  665    HA   LEU  87           HA       LEU  87  -8.083 -15.637  13.785
  666    HB2  LEU  87           HB2      LEU  87  -6.285 -15.395  11.326
  667    HB3  LEU  87           HB3      LEU  87  -6.130 -16.644  12.563
  668    HG   LEU  87           HG       LEU  87  -8.489 -16.245  10.668
  669   HD11  LEU  87          HD11      LEU  87  -6.307 -18.384  10.784
  670   HD12  LEU  87          HD12      LEU  87  -7.697 -18.387   9.682
  671   HD13  LEU  87          HD13      LEU  87  -6.473 -17.112   9.557
  672   HD21  LEU  87          HD21      LEU  87  -8.002 -18.417  12.769
  673   HD22  LEU  87          HD22      LEU  87  -9.313 -17.213  12.771
  674   HD23  LEU  87          HD23      LEU  87  -9.273 -18.463  11.529
  675    HA   PRO  88           HA       PRO  88  -5.060 -12.786  15.612
  676    HB2  PRO  88           HB2      PRO  88  -3.977 -14.367  17.574
  677    HB3  PRO  88           HB3      PRO  88  -5.609 -13.641  17.697
  678    HG2  PRO  88           HG2      PRO  88  -4.870 -16.438  16.815
  679    HG3  PRO  88           HG3      PRO  88  -6.137 -15.953  17.986
  680    HD2  PRO  88           HD2      PRO  88  -6.705 -16.519  15.369
  681    HD3  PRO  88           HD3      PRO  88  -7.583 -15.239  16.259
  682    H    CYS  89           H        CYS  89  -2.720 -12.566  15.590
  683    HA   CYS  89           HA       CYS  89  -1.488 -13.534  13.328
  684    HB2  CYS  89           HB2      CYS  89  -0.076 -12.663  15.885
  685    HB3  CYS  89           HB3      CYS  89   0.593 -12.655  14.245
  686    HG   CYS  89           HG       CYS  89   0.056 -10.202  14.958
  687    H    SER  90           H        SER  90  -1.249 -14.948  16.633
  688    HA   SER  90           HA       SER  90   0.634 -16.908  16.143
  689    HB2  SER  90           HB2      SER  90  -1.860 -17.301  17.832
  690    HB3  SER  90           HB3      SER  90  -0.249 -17.996  18.085
  691    HG   SER  90           HG       SER  90  -0.640 -16.205  19.460
  692    H    LYS  91           H        LYS  91  -2.888 -17.100  15.477
  693    HA   LYS  91           HA       LYS  91  -2.766 -19.843  14.591
  694    HB2  LYS  91           HB2      LYS  91  -4.889 -17.708  14.281
  695    HB3  LYS  91           HB3      LYS  91  -5.068 -19.357  13.678
  696    HG2  LYS  91           HG2      LYS  91  -4.556 -18.694  16.607
  697    HG3  LYS  91           HG3      LYS  91  -6.156 -18.918  15.895
  698    HD2  LYS  91           HD2      LYS  91  -5.515 -21.239  15.224
  699    HD3  LYS  91           HD3      LYS  91  -3.950 -21.021  16.041
  700    HE2  LYS  91           HE2      LYS  91  -5.121 -20.569  18.179
  701    HE3  LYS  91           HE3      LYS  91  -6.682 -20.768  17.374
  702    HZ1  LYS  91           HZ1      LYS  91  -6.084 -23.078  16.924
  703    HZ2  LYS  91           HZ2      LYS  91  -4.642 -22.898  17.676
  704    HZ3  LYS  91           HZ3      LYS  91  -6.027 -22.778  18.521
  705    H    ILE  92           H        ILE  92  -2.571 -16.673  12.907
  706    HA   ILE  92           HA       ILE  92  -2.682 -17.699  10.246
  707    HB   ILE  92           HB       ILE  92  -1.140 -15.320  11.376
  708   HG12  ILE  92          HG12      ILE  92  -3.862 -15.396   9.997
  709   HG13  ILE  92          HG13      ILE  92  -3.627 -15.258  11.733
  710   HG21  ILE  92          HG21      ILE  92  -1.788 -16.020   8.490
  711   HG22  ILE  92          HG22      ILE  92  -1.117 -14.470   9.034
  712   HG23  ILE  92          HG23      ILE  92  -0.177 -15.933   9.222
  713   HD11  ILE  92          HD11      ILE  92  -2.836 -13.210   9.648
  714   HD12  ILE  92          HD12      ILE  92  -4.037 -13.066  10.937
  715   HD13  ILE  92          HD13      ILE  92  -2.310 -13.140  11.341
  716    H    ILE  93           H        ILE  93   0.102 -17.190  12.475
  717    HA   ILE  93           HA       ILE  93   2.057 -18.233  10.676
  718    HB   ILE  93           HB       ILE  93   2.055 -17.878  13.704
  719   HG12  ILE  93          HG12      ILE  93   3.293 -16.039  11.601
  720   HG13  ILE  93          HG13      ILE  93   1.651 -15.822  12.161
  721   HG21  ILE  93          HG21      ILE  93   4.535 -17.831  13.503
  722   HG22  ILE  93          HG22      ILE  93   3.867 -19.391  13.020
  723   HG23  ILE  93          HG23      ILE  93   4.393 -18.230  11.776
  724   HD11  ILE  93          HD11      ILE  93   4.157 -15.572  13.831
  725   HD12  ILE  93          HD12      ILE  93   2.910 -14.361  13.454
  726   HD13  ILE  93          HD13      ILE  93   2.526 -15.699  14.540
  727    H    GLN  94           H        GLN  94   0.123 -19.706  13.298
  728    HA   GLN  94           HA       GLN  94   1.269 -22.288  13.291
  729    HB2  GLN  94           HB2      GLN  94  -1.533 -21.275  13.829
  730    HB3  GLN  94           HB3      GLN  94  -1.224 -22.993  13.814
  731    HG2  GLN  94           HG2      GLN  94   0.190 -20.999  15.632
  732    HG3  GLN  94           HG3      GLN  94  -1.188 -21.998  16.079
  733   HE21  GLN  94          HE22      GLN  94  -0.670 -24.528  15.241
  734   HE22  GLN  94          HE21      GLN  94   0.852 -25.114  15.855
  735    H    ARG  95           H        ARG  95  -1.320 -20.937  11.153
  736    HA   ARG  95           HA       ARG  95  -1.639 -23.362   9.629
  737    HB2  ARG  95           HB2      ARG  95  -2.147 -20.483   8.827
  738    HB3  ARG  95           HB3      ARG  95  -2.431 -21.904   7.810
  739    HG2  ARG  95           HG2      ARG  95  -3.834 -22.843   9.782
  740    HG3  ARG  95           HG3      ARG  95  -3.839 -21.176  10.399
  741    HD2  ARG  95           HD2      ARG  95  -4.791 -20.395   8.257
  742    HD3  ARG  95           HD3      ARG  95  -4.660 -22.055   7.617
  743    HE   ARG  95           HE       ARG  95  -6.211 -22.123   9.986
  744   HH11  ARG  95          HH21      ARG  95  -6.535 -20.773   6.697
  745   HH12  ARG  95          HH22      ARG  95  -8.206 -21.119   6.565
  746   HH21  ARG  95          HH11      ARG  95  -8.479 -22.521   9.829
  747   HH22  ARG  95          HH12      ARG  95  -9.339 -22.125   8.390
  748    H    ALA  96           H        ALA  96   0.516 -20.497   9.080
  749    HA   ALA  96           HA       ALA  96   1.748 -21.435   6.753
  750    HB1  ALA  96           HB1      ALA  96   3.485 -19.853   7.223
  751    HB2  ALA  96           HB2      ALA  96   2.007 -19.147   7.889
  752    HB3  ALA  96           HB3      ALA  96   3.189 -19.916   8.964
  753    H    GLU  97           H        GLU  97   2.557 -22.196  10.122
  754    HA   GLU  97           HA       GLU  97   4.899 -23.738   9.457
  755    HB2  GLU  97           HB2      GLU  97   3.254 -23.346  11.993
  756    HB3  GLU  97           HB3      GLU  97   4.715 -24.325  11.959
  757    HG2  GLU  97           HG2      GLU  97   4.656 -21.386  11.135
  758    HG3  GLU  97           HG3      GLU  97   4.999 -21.939  12.769
  759    H    GLU  98           H        GLU  98   1.480 -24.578   9.586
  760    HA   GLU  98           HA       GLU  98   2.012 -27.439   9.871
  761    HB2  GLU  98           HB2      GLU  98  -0.428 -25.699   9.373
  762    HB3  GLU  98           HB3      GLU  98  -0.513 -27.447   9.177
  763    HG2  GLU  98           HG2      GLU  98   0.353 -26.086  11.760
  764    HG3  GLU  98           HG3      GLU  98  -1.296 -26.580  11.394
  765    H    LEU  99           H        LEU  99   1.565 -24.984   7.408
  766    HA   LEU  99           HA       LEU  99   1.028 -26.967   5.314
  767    HB2  LEU  99           HB2      LEU  99   1.014 -23.933   5.350
  768    HB3  LEU  99           HB3      LEU  99   0.543 -24.916   3.962
  769    HG   LEU  99           HG       LEU  99  -0.816 -25.169   6.694
  770   HD11  LEU  99          HD11      LEU  99  -1.091 -22.873   5.806
  771   HD12  LEU  99          HD12      LEU  99  -1.762 -23.552   4.300
  772   HD13  LEU  99          HD13      LEU  99  -2.612 -23.773   5.846
  773   HD21  LEU  99          HD21      LEU  99  -1.676 -26.070   3.912
  774   HD22  LEU  99          HD22      LEU  99  -1.168 -27.113   5.258
  775   HD23  LEU  99          HD23      LEU  99  -2.655 -26.183   5.394
  776    H    VAL 100           H        VAL 100   3.798 -24.959   6.310
  777    HA   VAL 100           HA       VAL 100   5.275 -25.070   3.928
  778    HB   VAL 100           HB       VAL 100   6.038 -23.805   5.803
  779   HG11  VAL 100          HG11      VAL 100   6.961 -24.731   7.852
  780   HG12  VAL 100          HG12      VAL 100   5.281 -25.240   7.674
  781   HG13  VAL 100          HG13      VAL 100   6.588 -26.385   7.325
  782   HG21  VAL 100          HG21      VAL 100   7.782 -24.560   4.254
  783   HG22  VAL 100          HG22      VAL 100   8.417 -24.470   5.905
  784   HG23  VAL 100          HG23      VAL 100   8.029 -26.039   5.207
  785    H    GLY 101           H        GLY 101   6.268 -26.645   2.757
  786    HA2  GLY 101           HA2      GLY 101   7.293 -28.623   2.290
  787    HA3  GLY 101           HA3      GLY 101   6.951 -29.226   3.917
  788    H    GLN 102           H        GLN 102   3.959 -28.112   2.799
  789    HA   GLN 102           HA       GLN 102   3.171 -30.838   1.958
  790    HB2  GLN 102           HB2      GLN 102   1.547 -28.312   2.511
  791    HB3  GLN 102           HB3      GLN 102   0.879 -29.780   1.792
  792    HG2  GLN 102           HG2      GLN 102   1.741 -31.106   3.718
  793    HG3  GLN 102           HG3      GLN 102   2.233 -29.601   4.510
  794   HE21  GLN 102          HE22      GLN 102   0.759 -29.219   6.205
  795   HE22  GLN 102          HE21      GLN 102  -0.966 -29.466   6.060
  796    H    GLU 103           H        GLU 103   1.882 -31.057  -0.005
  797    HA   GLU 103           HA       GLU 103   3.158 -29.534  -2.229
  798    HB2  GLU 103           HB2      GLU 103   1.885 -32.306  -2.199
  799    HB3  GLU 103           HB3      GLU 103   2.511 -31.463  -3.614
  800    HG2  GLU 103           HG2      GLU 103   4.767 -31.353  -2.277
  801    HG3  GLU 103           HG3      GLU 103   4.049 -32.595  -1.261
  802    H    VAL 104           H        VAL 104   1.870 -28.851  -3.996
  803    HA   VAL 104           HA       VAL 104  -1.054 -29.180  -3.783
  804    HB   VAL 104           HB       VAL 104  -1.298 -26.955  -4.704
  805   HG11  VAL 104          HG11      VAL 104  -0.990 -25.669  -2.652
  806   HG12  VAL 104          HG12      VAL 104  -1.540 -27.308  -2.266
  807   HG13  VAL 104          HG13      VAL 104   0.166 -26.865  -2.040
  808   HG21  VAL 104          HG21      VAL 104   0.956 -26.626  -5.688
  809   HG22  VAL 104          HG22      VAL 104   0.377 -25.264  -4.735
  810   HG23  VAL 104          HG23      VAL 104   1.588 -26.358  -4.039
  811    H    LEU 105           H        LEU 105  -1.822 -28.334  -6.209
  812    HA   LEU 105           HA       LEU 105  -0.275 -30.071  -8.064
  813    HB2  LEU 105           HB2      LEU 105  -2.846 -30.465  -6.841
  814    HB3  LEU 105           HB3      LEU 105  -3.166 -30.079  -8.502
  815    HG   LEU 105           HG       LEU 105  -3.045 -32.469  -8.210
  816   HD11  LEU 105          HD11      LEU 105  -2.156 -31.608 -10.350
  817   HD12  LEU 105          HD12      LEU 105  -0.512 -31.617  -9.679
  818   HD13  LEU 105          HD13      LEU 105  -1.406 -33.136  -9.871
  819   HD21  LEU 105          HD21      LEU 105  -0.202 -32.127  -7.163
  820   HD22  LEU 105          HD22      LEU 105  -1.632 -32.516  -6.192
  821   HD23  LEU 105          HD23      LEU 105  -1.066 -33.657  -7.422
  822    H    TYR 106           H        TYR 106  -0.788 -26.995  -7.718
  823    HA   TYR 106           HA       TYR 106  -1.278 -26.444 -10.608
  824    HB2  TYR 106           HB2      TYR 106  -2.308 -24.301  -9.855
  825    HB3  TYR 106           HB3      TYR 106  -3.234 -25.729  -9.440
  826    HD1  TYR 106           HD2      TYR 106  -0.768 -23.280  -7.985
  827    HD2  TYR 106           HD1      TYR 106  -3.936 -26.103  -7.203
  828    HE1  TYR 106           HE2      TYR 106  -0.794 -22.584  -5.608
  829    HE2  TYR 106           HE1      TYR 106  -3.991 -25.390  -4.831
  830    HH   TYR 106           HH       TYR 106  -1.822 -22.837  -3.535
  831    H    LYS 107           H        LYS 107  -0.028 -24.738 -11.495
  832    HA   LYS 107           HA       LYS 107   2.578 -24.441 -10.530
  833    HB2  LYS 107           HB2      LYS 107   1.285 -24.263 -12.919
  834    HB3  LYS 107           HB3      LYS 107   1.276 -22.543 -12.503
  835    HG2  LYS 107           HG2      LYS 107   3.778 -22.706 -12.180
  836    HG3  LYS 107           HG3      LYS 107   3.649 -24.425 -12.591
  837    HD2  LYS 107           HD2      LYS 107   4.479 -23.126 -14.515
  838    HD3  LYS 107           HD3      LYS 107   2.930 -23.882 -14.860
  839    HE2  LYS 107           HE2      LYS 107   2.952 -21.667 -15.800
  840    HE3  LYS 107           HE3      LYS 107   1.761 -21.722 -14.507
  841    HZ1  LYS 107           HZ1      LYS 107   4.494 -20.610 -14.178
  842    HZ2  LYS 107           HZ2      LYS 107   3.184 -19.717 -14.529
  843    HZ3  LYS 107           HZ3      LYS 107   3.254 -20.477 -13.098
  844    H    LEU 108           H        LEU 108   3.689 -22.355 -10.114
  845    HA   LEU 108           HA       LEU 108   2.316 -20.502  -8.349
  846    HB2  LEU 108           HB2      LEU 108   4.996 -20.467  -9.805
  847    HB3  LEU 108           HB3      LEU 108   4.343 -19.005  -9.084
  848    HG   LEU 108           HG       LEU 108   4.246 -20.069  -6.866
  849   HD11  LEU 108          HD11      LEU 108   5.474 -22.179  -6.486
  850   HD12  LEU 108          HD12      LEU 108   4.031 -22.393  -7.462
  851   HD13  LEU 108          HD13      LEU 108   5.636 -22.407  -8.243
  852   HD21  LEU 108          HD21      LEU 108   6.187 -18.720  -7.525
  853   HD22  LEU 108          HD22      LEU 108   6.657 -20.034  -6.449
  854   HD23  LEU 108          HD23      LEU 108   6.984 -20.165  -8.196
  855    H    THR 109           H        THR 109   1.090 -18.825  -8.928
  856    HA   THR 109           HA       THR 109   1.590 -17.302 -11.339
  857    HB   THR 109           HB       THR 109  -0.803 -17.092 -11.892
  858    HG1  THR 109           HG1      THR 109  -2.266 -18.622 -11.053
  859   HG21  THR 109          HG21      THR 109  -1.179 -19.177 -13.066
  860   HG22  THR 109          HG22      THR 109   0.550 -18.801 -13.137
  861   HG23  THR 109          HG23      THR 109  -0.046 -20.044 -12.009
  862    H    SER 110           H        SER 110   0.670 -15.059 -10.921
  863    HA   SER 110           HA       SER 110   0.964 -14.220  -8.264
  864    HB2  SER 110           HB2      SER 110  -0.716 -12.871 -10.423
  865    HB3  SER 110           HB3      SER 110   0.114 -12.103  -9.048
  866    HG   SER 110           HG       SER 110   2.062 -12.870  -9.899
  867    H    GLU 111           H        GLU 111  -1.974 -15.308 -10.020
  868    HA   GLU 111           HA       GLU 111  -3.815 -14.591  -7.943
  869    HB2  GLU 111           HB2      GLU 111  -4.400 -14.918 -10.330
  870    HB3  GLU 111           HB3      GLU 111  -4.040 -16.645 -10.191
  871    HG2  GLU 111           HG2      GLU 111  -5.847 -16.906  -8.529
  872    HG3  GLU 111           HG3      GLU 111  -6.146 -15.166  -8.555
  873    H    ASN 112           H        ASN 112  -2.162 -17.728  -8.774
  874    HA   ASN 112           HA       ASN 112  -3.596 -19.215  -6.785
  875    HB2  ASN 112           HB2      ASN 112  -0.972 -19.731  -8.246
  876    HB3  ASN 112           HB3      ASN 112  -1.615 -20.837  -7.049
  877   HD21  ASN 112          HD22      ASN 112  -1.161 -21.479  -9.825
  878   HD22  ASN 112          HD21      ASN 112  -2.724 -21.877 -10.517
  879    H    CYS 113           H        CYS 113  -0.415 -17.528  -6.697
  880    HA   CYS 113           HA       CYS 113   0.185 -18.497  -4.055
  881    HB2  CYS 113           HB2      CYS 113   1.255 -16.043  -5.513
  882    HB3  CYS 113           HB3      CYS 113   1.956 -16.817  -4.073
  883    HG   CYS 113           HG       CYS 113   3.417 -17.477  -6.093
  884    H    GLU 114           H        GLU 114  -1.402 -15.468  -5.281
  885    HA   GLU 114           HA       GLU 114  -1.718 -14.195  -2.786
  886    HB2  GLU 114           HB2      GLU 114  -2.136 -13.209  -5.049
  887    HB3  GLU 114           HB3      GLU 114  -3.639 -14.126  -5.151
  888    HG2  GLU 114           HG2      GLU 114  -4.430 -12.965  -3.082
  889    HG3  GLU 114           HG3      GLU 114  -2.940 -12.024  -3.049
  890    H    HIS 115           H        HIS 115  -3.773 -16.573  -4.487
  891    HA   HIS 115           HA       HIS 115  -5.988 -16.638  -2.751
  892    HB2  HIS 115           HB2      HIS 115  -6.050 -17.623  -4.947
  893    HB3  HIS 115           HB3      HIS 115  -4.707 -18.693  -4.592
  894    HD2  HIS 115           HD2      HIS 115  -5.184 -20.796  -2.862
  895    HE1  HIS 115           HE1      HIS 115  -9.369 -20.889  -3.646
  896    HE2  HIS 115           HE2      HIS 115  -7.411 -22.169  -2.643
  897    H    PHE 116           H        PHE 116  -3.032 -18.755  -2.770
  898    HA   PHE 116           HA       PHE 116  -3.801 -20.169  -0.457
  899    HB2  PHE 116           HB2      PHE 116  -2.060 -21.059  -1.870
  900    HB3  PHE 116           HB3      PHE 116  -1.113 -19.582  -1.750
  901    HD1  PHE 116           HD1      PHE 116  -2.046 -22.719   0.023
  902    HD2  PHE 116           HD2      PHE 116   0.303 -19.111   0.186
  903    HE1  PHE 116           HE1      PHE 116  -0.769 -23.621   1.950
  904    HE2  PHE 116           HE2      PHE 116   1.499 -19.958   2.178
  905    HZ   PHE 116           HZ       PHE 116   0.996 -22.247   3.038
  906    H    VAL 117           H        VAL 117  -1.534 -17.349  -0.662
  907    HA   VAL 117           HA       VAL 117  -1.077 -17.448   2.132
  908    HB   VAL 117           HB       VAL 117  -0.119 -15.251   2.014
  909   HG11  VAL 117          HG11      VAL 117   1.633 -15.650   0.386
  910   HG12  VAL 117          HG12      VAL 117   1.229 -17.135   1.254
  911   HG13  VAL 117          HG13      VAL 117   0.668 -16.887  -0.420
  912   HG21  VAL 117          HG21      VAL 117  -1.743 -14.124   0.477
  913   HG22  VAL 117          HG22      VAL 117  -0.063 -13.891  -0.007
  914   HG23  VAL 117          HG23      VAL 117  -1.077 -15.060  -0.866
  915    H    ASN 118           H        ASN 118  -3.803 -16.020   0.402
  916    HA   ASN 118           HA       ASN 118  -4.730 -14.496   2.687
  917    HB2  ASN 118           HB2      ASN 118  -5.921 -15.273   0.031
  918    HB3  ASN 118           HB3      ASN 118  -6.974 -14.708   1.338
  919   HD21  ASN 118          HD22      ASN 118  -4.160 -13.770  -0.660
  920   HD22  ASN 118          HD21      ASN 118  -4.258 -12.057  -0.269
  921    H    GLU 119           H        GLU 119  -5.179 -17.856   1.606
  922    HA   GLU 119           HA       GLU 119  -7.208 -18.552   3.503
  923    HB2  GLU 119           HB2      GLU 119  -4.943 -20.345   2.553
  924    HB3  GLU 119           HB3      GLU 119  -6.442 -20.858   3.276
  925    HG2  GLU 119           HG2      GLU 119  -6.849 -19.260   0.814
  926    HG3  GLU 119           HG3      GLU 119  -5.873 -20.691   0.556
  927    H    LEU 120           H        LEU 120  -3.774 -17.876   3.939
  928    HA   LEU 120           HA       LEU 120  -3.802 -18.993   6.652
  929    HB2  LEU 120           HB2      LEU 120  -1.664 -17.632   4.986
  930    HB3  LEU 120           HB3      LEU 120  -1.472 -17.994   6.707
  931    HG   LEU 120           HG       LEU 120  -1.694 -20.354   6.329
  932   HD11  LEU 120          HD11      LEU 120  -1.571 -21.300   4.002
  933   HD12  LEU 120          HD12      LEU 120  -3.129 -20.581   4.380
  934   HD13  LEU 120          HD13      LEU 120  -1.941 -19.699   3.378
  935   HD21  LEU 120          HD21      LEU 120   0.521 -19.260   6.159
  936   HD22  LEU 120          HD22      LEU 120   0.430 -20.693   5.116
  937   HD23  LEU 120          HD23      LEU 120   0.297 -19.075   4.406
  938    H    ARG 121           H        ARG 121  -3.310 -15.805   5.062
  939    HA   ARG 121           HA       ARG 121  -3.088 -14.261   7.379
  940    HB2  ARG 121           HB2      ARG 121  -2.537 -13.553   5.042
  941    HB3  ARG 121           HB3      ARG 121  -4.253 -13.486   4.652
  942    HG2  ARG 121           HG2      ARG 121  -3.564 -11.228   5.021
  943    HG3  ARG 121           HG3      ARG 121  -4.513 -11.660   6.416
  944    HD2  ARG 121           HD2      ARG 121  -2.357 -12.255   7.630
  945    HD3  ARG 121           HD3      ARG 121  -1.469 -11.700   6.209
  946    HE   ARG 121           HE       ARG 121  -1.752  -9.541   6.872
  947   HH11  ARG 121          HH21      ARG 121  -4.319 -11.389   8.520
  948   HH12  ARG 121          HH22      ARG 121  -4.489 -10.214   9.790
  949   HH21  ARG 121          HH11      ARG 121  -1.683  -8.289   8.824
  950   HH22  ARG 121          HH12      ARG 121  -3.053  -8.364   9.894
  951    H    TYR 122           H        TYR 122  -5.974 -15.169   5.596
  952    HA   TYR 122           HA       TYR 122  -7.699 -13.878   7.657
  953    HB2  TYR 122           HB2      TYR 122  -7.155 -12.608   5.445
  954    HB3  TYR 122           HB3      TYR 122  -8.167 -13.795   4.646
  955    HD1  TYR 122           HD1      TYR 122  -8.022 -10.861   6.872
  956    HD2  TYR 122           HD2      TYR 122 -10.638 -13.699   4.945
  957    HE1  TYR 122           HE1      TYR 122  -9.956  -9.368   7.312
  958    HE2  TYR 122           HE2      TYR 122 -12.574 -12.229   5.392
  959    HH   TYR 122           HH       TYR 122 -13.307 -10.235   6.337
  960    H    GLY 123           H        GLY 123  -6.913 -16.847   6.578
  961    HA2  GLY 123           HA2      GLY 123  -7.967 -18.729   7.384
  962    HA3  GLY 123           HA3      GLY 123  -9.481 -17.842   7.573
  963    H    VAL 124           H        VAL 124  -9.462 -16.807   4.755
  964    HA   VAL 124           HA       VAL 124  -9.603 -19.195   3.067
  965    HB   VAL 124           HB       VAL 124 -11.790 -18.162   2.243
  966   HG11  VAL 124          HG11      VAL 124 -13.167 -19.472   3.761
  967   HG12  VAL 124          HG12      VAL 124 -11.652 -20.332   3.445
  968   HG13  VAL 124          HG13      VAL 124 -11.883 -19.477   4.985
  969   HG21  VAL 124          HG21      VAL 124 -11.751 -16.034   3.517
  970   HG22  VAL 124          HG22      VAL 124 -13.224 -16.970   3.791
  971   HG23  VAL 124          HG23      VAL 124 -11.957 -16.945   5.028
  972    H    ALA 125           H        ALA 125  -9.082 -18.711   0.932
  973    HA   ALA 125           HA       ALA 125  -7.784 -16.442   0.080
  974    HB1  ALA 125           HB1      ALA 125  -8.413 -17.132  -2.191
  975    HB2  ALA 125           HB2      ALA 125  -7.917 -18.523  -1.205
  976    HB3  ALA 125           HB3      ALA 125  -9.641 -18.226  -1.530
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1  23.697  -9.511   7.784
    2    H2   MET   1           H2       MET   1  24.525  -9.762   6.401
    3    H3   MET   1           H3       MET   1  25.173  -8.831   7.591
    4    HA   MET   1           HA       MET   1  23.443  -7.185   7.312
    5    HB2  MET   1           HB2      MET   1  24.923  -7.889   4.734
    6    HB3  MET   1           HB3      MET   1  23.994  -6.410   4.981
    7    HG2  MET   1           HG2      MET   1  25.452  -5.791   6.884
    8    HG3  MET   1           HG3      MET   1  26.427  -7.240   6.604
    9    HE1  MET   1           HE1      MET   1  27.632  -4.307   6.824
   10    HE2  MET   1           HE2      MET   1  28.613  -5.765   6.546
   11    HE3  MET   1           HE3      MET   1  28.818  -4.342   5.501
   12    H    ARG   2           H        ARG   2  21.403  -6.633   6.541
   13    HA   ARG   2           HA       ARG   2  20.152  -8.125   4.384
   14    HB2  ARG   2           HB2      ARG   2  18.133  -8.706   5.689
   15    HB3  ARG   2           HB3      ARG   2  19.533  -9.636   6.191
   16    HG2  ARG   2           HG2      ARG   2  19.732  -8.494   8.255
   17    HG3  ARG   2           HG3      ARG   2  18.738  -7.124   7.724
   18    HD2  ARG   2           HD2      ARG   2  16.748  -8.462   7.671
   19    HD3  ARG   2           HD3      ARG   2  17.663  -9.948   8.021
   20    HE   ARG   2           HE       ARG   2  18.209  -8.256  10.140
   21   HH11  ARG   2          HH22      ARG   2  15.197  -9.530   8.722
   22   HH12  ARG   2          HH21      ARG   2  14.429  -9.804  10.250
   23   HH21  ARG   2          HH11      ARG   2  17.146  -8.569  12.171
   24   HH22  ARG   2          HH12      ARG   2  15.581  -9.325  12.230
   25    H    ALA   3           H        ALA   3  17.940  -7.164   3.960
   26    HA   ALA   3           HA       ALA   3  17.917  -4.273   4.069
   27    HB1  ALA   3           HB1      ALA   3  15.612  -4.594   3.143
   28    HB2  ALA   3           HB2      ALA   3  16.813  -5.549   2.254
   29    HB3  ALA   3           HB3      ALA   3  15.750  -6.332   3.449
   30    HA   PRO   4           HA       PRO   4  16.078  -3.943   8.123
   31    HB2  PRO   4           HB2      PRO   4  14.590  -1.652   8.014
   32    HB3  PRO   4           HB3      PRO   4  16.375  -1.649   7.908
   33    HG2  PRO   4           HG2      PRO   4  14.373  -1.554   5.633
   34    HG3  PRO   4           HG3      PRO   4  15.794  -0.497   5.899
   35    HD2  PRO   4           HD2      PRO   4  15.888  -2.675   4.248
   36    HD3  PRO   4           HD3      PRO   4  17.303  -2.186   5.228
   37    H    ILE   5           H        ILE   5  13.900  -3.671   9.233
   38    HA   ILE   5           HA       ILE   5  11.603  -4.740   7.686
   39    HB   ILE   5           HB       ILE   5  10.991  -6.023   9.781
   40   HG12  ILE   5          HG12      ILE   5  13.973  -5.785  10.452
   41   HG13  ILE   5          HG13      ILE   5  12.710  -4.917  11.318
   42   HG21  ILE   5          HG21      ILE   5  12.300  -7.968   9.062
   43   HG22  ILE   5          HG22      ILE   5  11.834  -7.016   7.655
   44   HG23  ILE   5          HG23      ILE   5  13.494  -6.915   8.280
   45   HD11  ILE   5          HD11      ILE   5  13.305  -6.860  12.584
   46   HD12  ILE   5          HD12      ILE   5  11.668  -7.106  11.943
   47   HD13  ILE   5          HD13      ILE   5  13.063  -7.931  11.199
   48    HA   PRO   6           HA       PRO   6  11.243  -0.683   9.823
   49    HB2  PRO   6           HB2      PRO   6  10.182   0.857   7.839
   50    HB3  PRO   6           HB3      PRO   6  11.909   0.365   7.865
   51    HG2  PRO   6           HG2      PRO   6   9.638  -0.969   6.356
   52    HG3  PRO   6           HG3      PRO   6  11.227  -0.429   5.718
   53    HD2  PRO   6           HD2      PRO   6  10.820  -3.001   6.493
   54    HD3  PRO   6           HD3      PRO   6  12.367  -2.163   6.812
   55    H    GLU   7           H        GLU   7   8.689  -2.522   8.249
   56    HA   GLU   7           HA       GLU   7   6.732  -1.421  10.147
   57    HB2  GLU   7           HB2      GLU   7   5.136  -0.841   8.444
   58    HB3  GLU   7           HB3      GLU   7   6.649   0.006   8.145
   59    HG2  GLU   7           HG2      GLU   7   7.232  -1.697   6.397
   60    HG3  GLU   7           HG3      GLU   7   5.681  -2.488   6.673
   61    HA   PRO   8           HA       PRO   8   4.869  -5.430   8.395
   62    HB2  PRO   8           HB2      PRO   8   6.441  -7.592   7.925
   63    HB3  PRO   8           HB3      PRO   8   6.200  -6.322   6.702
   64    HG2  PRO   8           HG2      PRO   8   8.526  -6.613   8.615
   65    HG3  PRO   8           HG3      PRO   8   8.573  -6.327   6.846
   66    HD2  PRO   8           HD2      PRO   8   8.770  -4.319   8.693
   67    HD3  PRO   8           HD3      PRO   8   7.969  -4.061   7.106
   68    H    LYS   9           H        LYS   9   4.123  -7.219   9.700
   69    HA   LYS   9           HA       LYS   9   5.817  -7.982  12.013
   70    HB2  LYS   9           HB2      LYS   9   3.912  -8.070  13.501
   71    HB3  LYS   9           HB3      LYS   9   4.174  -6.433  12.901
   72    HG2  LYS   9           HG2      LYS   9   2.276  -6.700  11.320
   73    HG3  LYS   9           HG3      LYS   9   2.052  -8.371  11.854
   74    HD2  LYS   9           HD2      LYS   9   0.398  -7.002  12.913
   75    HD3  LYS   9           HD3      LYS   9   1.535  -7.562  14.148
   76    HE2  LYS   9           HE2      LYS   9   2.695  -5.360  14.074
   77    HE3  LYS   9           HE3      LYS   9   1.595  -4.818  12.801
   78    HZ1  LYS   9           HZ1      LYS   9  -0.232  -5.023  14.387
   79    HZ2  LYS   9           HZ2      LYS   9   0.786  -5.529  15.564
   80    HZ3  LYS   9           HZ3      LYS   9   0.908  -4.019  14.970
   81    HA   PRO  10           HA       PRO  10   5.160 -12.045  10.444
   82    HB2  PRO  10           HB2      PRO  10   4.660 -12.822  13.327
   83    HB3  PRO  10           HB3      PRO  10   5.646 -13.664  12.090
   84    HG2  PRO  10           HG2      PRO  10   6.862 -12.098  13.930
   85    HG3  PRO  10           HG3      PRO  10   7.367 -11.977  12.215
   86    HD2  PRO  10           HD2      PRO  10   5.501 -10.157  13.762
   87    HD3  PRO  10           HD3      PRO  10   6.810  -9.740  12.614
   88    H    GLY  11           H        GLY  11   3.411 -12.898   9.477
   89    HA2  GLY  11           HA2      GLY  11   1.157 -13.777   9.507
   90    HA3  GLY  11           HA3      GLY  11   0.678 -12.458  10.590
   91    H    ASP  12           H        ASP  12   2.739 -10.835   8.639
   92    HA   ASP  12           HA       ASP  12   0.556  -9.743   7.041
   93    HB2  ASP  12           HB2      ASP  12   3.459  -8.988   7.475
   94    HB3  ASP  12           HB3      ASP  12   2.496  -8.244   6.210
   95    H    LEU  13           H        LEU  13   0.185  -9.863   4.957
   96    HA   LEU  13           HA       LEU  13   1.520 -11.813   3.254
   97    HB2  LEU  13           HB2      LEU  13  -0.321  -9.496   2.488
   98    HB3  LEU  13           HB3      LEU  13   0.213 -10.816   1.462
   99    HG   LEU  13           HG       LEU  13  -1.888 -10.876   3.632
  100   HD11  LEU  13          HD11      LEU  13  -1.820 -11.826   0.755
  101   HD12  LEU  13          HD12      LEU  13  -3.225 -11.806   1.857
  102   HD13  LEU  13          HD13      LEU  13  -2.477 -10.287   1.318
  103   HD21  LEU  13          HD21      LEU  13  -0.327 -13.195   2.469
  104   HD22  LEU  13          HD22      LEU  13  -0.552 -12.815   4.185
  105   HD23  LEU  13          HD23      LEU  13  -1.928 -13.395   3.235
  106    H    ILE  14           H        ILE  14   3.124 -11.428   1.805
  107    HA   ILE  14           HA       ILE  14   4.133  -8.645   1.454
  108    HB   ILE  14           HB       ILE  14   5.746 -11.229   1.485
  109   HG12  ILE  14          HG12      ILE  14   5.091 -10.759   3.774
  110   HG13  ILE  14          HG13      ILE  14   6.810 -10.518   3.535
  111   HG21  ILE  14          HG21      ILE  14   6.573  -8.317   1.152
  112   HG22  ILE  14          HG22      ILE  14   7.713  -9.659   1.430
  113   HG23  ILE  14          HG23      ILE  14   6.718  -9.624  -0.029
  114   HD11  ILE  14          HD11      ILE  14   5.844  -8.785   4.993
  115   HD12  ILE  14          HD12      ILE  14   6.499  -8.061   3.515
  116   HD13  ILE  14          HD13      ILE  14   4.744  -8.282   3.701
  117    H    GLU  15           H        GLU  15   3.976  -8.034  -0.627
  118    HA   GLU  15           HA       GLU  15   3.664 -10.126  -2.734
  119    HB2  GLU  15           HB2      GLU  15   2.949  -8.450  -4.230
  120    HB3  GLU  15           HB3      GLU  15   1.970  -8.278  -2.773
  121    HG2  GLU  15           HG2      GLU  15   3.330  -6.329  -2.071
  122    HG3  GLU  15           HG3      GLU  15   4.407  -6.574  -3.450
  123    H    ILE  16           H        ILE  16   5.226 -10.049  -4.411
  124    HA   ILE  16           HA       ILE  16   7.713  -8.491  -3.881
  125    HB   ILE  16           HB       ILE  16   7.533 -11.358  -4.873
  126   HG12  ILE  16          HG12      ILE  16   8.229 -10.222  -2.132
  127   HG13  ILE  16          HG13      ILE  16   6.985 -11.403  -2.538
  128   HG21  ILE  16          HG21      ILE  16   9.973  -9.658  -4.155
  129   HG22  ILE  16          HG22      ILE  16   9.989 -11.314  -4.806
  130   HG23  ILE  16          HG23      ILE  16   9.421  -9.993  -5.808
  131   HD11  ILE  16          HD11      ILE  16   8.790 -12.548  -1.451
  132   HD12  ILE  16          HD12      ILE  16   8.803 -13.018  -3.166
  133   HD13  ILE  16          HD13      ILE  16   9.992 -11.840  -2.544
  134    H    PHE  17           H        PHE  17   7.894  -7.105  -5.497
  135    HA   PHE  17           HA       PHE  17   6.254  -7.326  -7.900
  136    HB2  PHE  17           HB2      PHE  17   7.771  -5.269  -6.589
  137    HB3  PHE  17           HB3      PHE  17   8.416  -5.427  -8.213
  138    HD1  PHE  17           HD1      PHE  17   6.943  -5.067 -10.203
  139    HD2  PHE  17           HD2      PHE  17   5.497  -4.491  -6.171
  140    HE1  PHE  17           HE1      PHE  17   4.992  -3.805 -11.079
  141    HE2  PHE  17           HE2      PHE  17   3.551  -3.230  -7.058
  142    HZ   PHE  17           HZ       PHE  17   3.296  -2.880  -9.509
  143    H    ARG  18           H        ARG  18   6.757  -8.366  -9.764
  144    HA   ARG  18           HA       ARG  18   9.529  -9.406 -10.149
  145    HB2  ARG  18           HB2      ARG  18   6.735 -10.448 -10.724
  146    HB3  ARG  18           HB3      ARG  18   8.086 -11.077 -11.609
  147    HG2  ARG  18           HG2      ARG  18   8.416 -11.054  -8.609
  148    HG3  ARG  18           HG3      ARG  18   7.152 -12.091  -9.265
  149    HD2  ARG  18           HD2      ARG  18   9.041 -13.479  -9.183
  150    HD3  ARG  18           HD3      ARG  18   8.829 -13.024 -10.879
  151    HE   ARG  18           HE       ARG  18  10.804 -11.676  -9.093
  152   HH11  ARG  18          HH11      ARG  18  10.218 -13.635 -12.035
  153   HH12  ARG  18          HH12      ARG  18  11.847 -13.489 -12.583
  154   HH21  ARG  18          HH21      ARG  18  12.814 -11.274  -9.956
  155   HH22  ARG  18          HH22      ARG  18  13.386 -12.138 -11.360
  156    HA   PRO  19           HA       PRO  19  10.310  -7.201 -13.685
  157    HB2  PRO  19           HB2      PRO  19   9.846  -9.596 -15.485
  158    HB3  PRO  19           HB3      PRO  19  11.161  -8.378 -15.565
  159    HG2  PRO  19           HG2      PRO  19  11.596 -10.747 -14.330
  160    HG3  PRO  19           HG3      PRO  19  12.170  -9.228 -13.569
  161    HD2  PRO  19           HD2      PRO  19   9.775 -10.901 -12.864
  162    HD3  PRO  19           HD3      PRO  19  10.873  -9.970 -11.804
  163    H    PHE  20           H        PHE  20   7.337  -9.065 -14.288
  164    HA   PHE  20           HA       PHE  20   6.069  -6.609 -15.314
  165    HB2  PHE  20           HB2      PHE  20   7.075  -7.981 -17.248
  166    HB3  PHE  20           HB3      PHE  20   5.895  -9.222 -16.870
  167    HD1  PHE  20           HD2      PHE  20   6.122  -5.517 -17.580
  168    HD2  PHE  20           HD1      PHE  20   3.855  -9.155 -18.093
  169    HE1  PHE  20           HE2      PHE  20   4.525  -4.319 -19.055
  170    HE2  PHE  20           HE1      PHE  20   2.267  -7.952 -19.572
  171    HZ   PHE  20           HZ       PHE  20   2.596  -5.532 -20.053
  172    H    TYR  21           H        TYR  21   5.899  -8.442 -12.840
  173    HA   TYR  21           HA       TYR  21   3.047  -8.853 -12.699
  174    HB2  TYR  21           HB2      TYR  21   3.071 -11.284 -12.494
  175    HB3  TYR  21           HB3      TYR  21   3.568 -10.780 -14.076
  176    HD1  TYR  21           HD1      TYR  21   5.983 -11.000 -14.805
  177    HD2  TYR  21           HD2      TYR  21   4.554 -12.570 -11.066
  178    HE1  TYR  21           HE1      TYR  21   7.890 -12.586 -14.741
  179    HE2  TYR  21           HE2      TYR  21   6.377 -14.208 -11.013
  180    HH   TYR  21           HH       TYR  21   8.209 -15.106 -12.201
  181    H    ARG  22           H        ARG  22   3.234 -10.857 -10.554
  182    HA   ARG  22           HA       ARG  22   5.147  -9.789  -8.657
  183    HB2  ARG  22           HB2      ARG  22   3.349  -9.575  -6.844
  184    HB3  ARG  22           HB3      ARG  22   3.552  -8.255  -7.977
  185    HG2  ARG  22           HG2      ARG  22   1.211  -8.674  -7.401
  186    HG3  ARG  22           HG3      ARG  22   1.504  -8.809  -9.134
  187    HD2  ARG  22           HD2      ARG  22   1.383 -11.214  -9.041
  188    HD3  ARG  22           HD3      ARG  22   1.400 -11.226  -7.281
  189    HE   ARG  22           HE       ARG  22  -0.877 -10.675  -7.237
  190   HH11  ARG  22          HH21      ARG  22   0.186 -10.370 -10.628
  191   HH12  ARG  22          HH22      ARG  22  -1.419 -10.493 -11.240
  192   HH21  ARG  22          HH11      ARG  22  -2.844 -10.910  -7.991
  193   HH22  ARG  22          HH12      ARG  22  -3.245 -10.749  -9.690
  194    H    HIS  23           H        HIS  23   5.425 -11.171  -6.818
  195    HA   HIS  23           HA       HIS  23   4.143 -13.849  -7.037
  196    HB2  HIS  23           HB2      HIS  23   6.515 -14.046  -7.631
  197    HB3  HIS  23           HB3      HIS  23   6.991 -13.142  -6.196
  198    HD2  HIS  23           HD2      HIS  23   8.204 -14.865  -4.671
  199    HE1  HIS  23           HE1      HIS  23   5.382 -18.049  -4.789
  200    HE2  HIS  23           HE2      HIS  23   7.549 -17.234  -3.734
  201    H    TRP  24           H        TRP  24   4.162 -14.820  -4.649
  202    HA   TRP  24           HA       TRP  24   3.710 -12.641  -2.665
  203    HB2  TRP  24           HB2      TRP  24   1.826 -14.908  -3.372
  204    HB3  TRP  24           HB3      TRP  24   1.744 -14.012  -1.872
  205    HD1  TRP  24           HD1      TRP  24   0.907 -13.705  -5.544
  206    HE1  TRP  24           HE1      TRP  24  -0.718 -11.733  -5.802
  207    HE3  TRP  24           HE3      TRP  24   1.384 -11.641  -0.923
  208    HZ2  TRP  24           HZ2      TRP  24  -1.470  -9.367  -4.319
  209    HZ3  TRP  24           HZ3      TRP  24   0.197  -9.510  -0.353
  210    HH2  TRP  24           HH2      TRP  24  -1.257  -8.406  -2.026
  211    H    ALA  25           H        ALA  25   4.078 -13.132  -0.597
  212    HA   ALA  25           HA       ALA  25   4.698 -15.845   0.295
  213    HB1  ALA  25           HB1      ALA  25   6.846 -15.179   1.241
  214    HB2  ALA  25           HB2      ALA  25   6.896 -14.859  -0.493
  215    HB3  ALA  25           HB3      ALA  25   6.657 -13.514   0.648
  216    H    ILE  26           H        ILE  26   4.966 -15.671   2.800
  217    HA   ILE  26           HA       ILE  26   3.567 -13.295   3.928
  218    HB   ILE  26           HB       ILE  26   2.040 -15.116   3.658
  219   HG12  ILE  26          HG12      ILE  26   2.645 -14.816   6.607
  220   HG13  ILE  26          HG13      ILE  26   1.873 -13.587   5.585
  221   HG21  ILE  26          HG21      ILE  26   2.242 -17.267   4.933
  222   HG22  ILE  26          HG22      ILE  26   3.340 -17.090   3.590
  223   HG23  ILE  26          HG23      ILE  26   3.904 -16.847   5.269
  224   HD11  ILE  26          HD11      ILE  26   0.790 -16.304   6.312
  225   HD12  ILE  26          HD12      ILE  26   0.055 -14.692   6.531
  226   HD13  ILE  26          HD13      ILE  26   0.187 -15.396   4.911
  227    H    TYR  27           H        TYR  27   4.554 -12.437   5.657
  228    HA   TYR  27           HA       TYR  27   7.225 -13.373   6.423
  229    HB2  TYR  27           HB2      TYR  27   6.584 -11.001   6.029
  230    HB3  TYR  27           HB3      TYR  27   5.404 -11.102   7.322
  231    HD1  TYR  27           HD1      TYR  27   9.098 -12.012   7.015
  232    HD2  TYR  27           HD2      TYR  27   6.054  -9.726   9.020
  233    HE1  TYR  27           HE1      TYR  27  10.812 -11.036   8.501
  234    HE2  TYR  27           HE2      TYR  27   7.763  -8.765  10.546
  235    HH   TYR  27           HH       TYR  27  11.221  -9.671  10.359
  236    H    VAL  28           H        VAL  28   7.571 -14.786   8.096
  237    HA   VAL  28           HA       VAL  28   5.375 -15.206  10.087
  238    HB   VAL  28           HB       VAL  28   5.736 -17.651   9.885
  239   HG11  VAL  28          HG11      VAL  28   3.830 -16.601   8.766
  240   HG12  VAL  28          HG12      VAL  28   4.810 -16.333   7.315
  241   HG13  VAL  28          HG13      VAL  28   4.444 -17.985   7.843
  242   HG21  VAL  28          HG21      VAL  28   6.910 -18.654   8.095
  243   HG22  VAL  28          HG22      VAL  28   7.210 -17.100   7.286
  244   HG23  VAL  28          HG23      VAL  28   8.044 -17.507   8.799
  245    H    GLY  29           H        GLY  29   8.701 -14.655   9.656
  246    HA2  GLY  29           HA2      GLY  29   9.179 -15.081  12.502
  247    HA3  GLY  29           HA3      GLY  29  10.248 -15.980  11.395
  248    H    ASP  30           H        ASP  30  11.350 -13.986  12.981
  249    HA   ASP  30           HA       ASP  30  11.042 -11.375  12.262
  250    HB2  ASP  30           HB2      ASP  30  12.235 -12.270  14.253
  251    HB3  ASP  30           HB3      ASP  30  13.625 -12.648  13.235
  252    H    GLY  31           H        GLY  31  12.895 -13.687  10.394
  253    HA2  GLY  31           HA2      GLY  31  13.239 -11.598   8.318
  254    HA3  GLY  31           HA3      GLY  31  14.647 -12.572   8.766
  255    H    TYR  32           H        TYR  32  11.498 -14.191   8.861
  256    HA   TYR  32           HA       TYR  32  12.308 -15.712   6.409
  257    HB2  TYR  32           HB2      TYR  32  11.253 -16.708   9.072
  258    HB3  TYR  32           HB3      TYR  32  11.206 -17.671   7.605
  259    HD1  TYR  32           HD1      TYR  32  13.485 -15.978   9.980
  260    HD2  TYR  32           HD2      TYR  32  13.141 -18.745   6.694
  261    HE1  TYR  32           HE1      TYR  32  15.844 -16.705  10.355
  262    HE2  TYR  32           HE2      TYR  32  15.483 -19.478   7.047
  263    HH   TYR  32           HH       TYR  32  17.417 -19.226   8.324
  264    H    VAL  33           H        VAL  33  10.729 -16.722   5.222
  265    HA   VAL  33           HA       VAL  33   7.964 -15.794   5.625
  266    HB   VAL  33           HB       VAL  33   7.792 -15.466   3.155
  267   HG11  VAL  33          HG11      VAL  33   8.964 -13.274   3.034
  268   HG12  VAL  33          HG12      VAL  33   7.950 -13.486   4.450
  269   HG13  VAL  33          HG13      VAL  33   9.710 -13.642   4.610
  270   HG21  VAL  33          HG21      VAL  33   9.720 -16.770   2.384
  271   HG22  VAL  33          HG22      VAL  33   9.822 -15.105   1.803
  272   HG23  VAL  33          HG23      VAL  33  10.832 -15.639   3.166
  273    H    VAL  34           H        VAL  34   6.365 -17.077   4.566
  274    HA   VAL  34           HA       VAL  34   7.210 -19.752   3.598
  275    HB   VAL  34           HB       VAL  34   4.855 -18.789   5.224
  276   HG11  VAL  34          HG11      VAL  34   4.779 -21.254   3.457
  277   HG12  VAL  34          HG12      VAL  34   3.661 -20.920   4.799
  278   HG13  VAL  34          HG13      VAL  34   3.688 -19.840   3.402
  279   HG21  VAL  34          HG21      VAL  34   6.560 -21.281   5.345
  280   HG22  VAL  34          HG22      VAL  34   6.879 -19.779   6.230
  281   HG23  VAL  34          HG23      VAL  34   5.407 -20.713   6.576
  282    H    HIS  35           H        HIS  35   6.391 -20.350   1.569
  283    HA   HIS  35           HA       HIS  35   4.538 -18.683   0.108
  284    HB2  HIS  35           HB2      HIS  35   5.957 -17.806  -1.563
  285    HB3  HIS  35           HB3      HIS  35   6.641 -17.314  -0.028
  286    HD2  HIS  35           HD2      HIS  35   8.323 -20.192   0.420
  287    HE1  HIS  35           HE1      HIS  35  10.395 -18.901  -3.065
  288    HE2  HIS  35           HE2      HIS  35  10.477 -20.451  -1.051
  289    H    LEU  36           H        LEU  36   4.605 -19.531  -2.365
  290    HA   LEU  36           HA       LEU  36   4.744 -22.493  -2.274
  291    HB2  LEU  36           HB2      LEU  36   3.725 -20.492  -4.323
  292    HB3  LEU  36           HB3      LEU  36   4.025 -22.162  -4.749
  293    HG   LEU  36           HG       LEU  36   1.671 -21.806  -4.364
  294   HD11  LEU  36          HD11      LEU  36   2.826 -23.498  -2.107
  295   HD12  LEU  36          HD12      LEU  36   1.206 -23.605  -2.800
  296   HD13  LEU  36          HD13      LEU  36   2.622 -24.024  -3.791
  297   HD21  LEU  36          HD21      LEU  36   0.711 -21.214  -2.298
  298   HD22  LEU  36          HD22      LEU  36   2.271 -21.156  -1.460
  299   HD23  LEU  36          HD23      LEU  36   1.878 -19.944  -2.706
  300    H    ALA  37           H        ALA  37   6.255 -23.655  -3.450
  301    HA   ALA  37           HA       ALA  37   8.107 -22.216  -5.249
  302    HB1  ALA  37           HB1      ALA  37   9.249 -22.408  -3.032
  303    HB2  ALA  37           HB2      ALA  37   8.985 -24.171  -3.072
  304    HB3  ALA  37           HB3      ALA  37  10.037 -23.401  -4.272
  305    HA   PRO  38           HA       PRO  38   7.458 -25.916  -7.739
  306    HB2  PRO  38           HB2      PRO  38  10.452 -26.033  -8.082
  307    HB3  PRO  38           HB3      PRO  38   9.174 -26.113  -9.334
  308    HG2  PRO  38           HG2      PRO  38  10.600 -23.831  -8.966
  309    HG3  PRO  38           HG3      PRO  38   8.828 -23.753  -9.238
  310    HD2  PRO  38           HD2      PRO  38  10.331 -23.618  -6.610
  311    HD3  PRO  38           HD3      PRO  38   9.001 -22.578  -7.201
  312    HA   PRO  39           HA       PRO  39   8.302 -29.386  -5.004
  313    HB2  PRO  39           HB2      PRO  39   9.055 -30.916  -7.501
  314    HB3  PRO  39           HB3      PRO  39   7.986 -31.416  -6.151
  315    HG2  PRO  39           HG2      PRO  39   6.898 -30.551  -8.470
  316    HG3  PRO  39           HG3      PRO  39   6.241 -29.961  -6.904
  317    HD2  PRO  39           HD2      PRO  39   8.185 -28.559  -8.756
  318    HD3  PRO  39           HD3      PRO  39   6.719 -27.915  -7.961
  319    H    SER  40           H        SER  40  10.073 -30.282  -3.908
  320    HA   SER  40           HA       SER  40  12.626 -29.201  -4.255
  321    HB2  SER  40           HB2      SER  40  11.925 -31.827  -2.887
  322    HB3  SER  40           HB3      SER  40  13.286 -30.755  -2.526
  323    HG   SER  40           HG       SER  40  11.525 -30.484  -1.064
  324    H    GLU  41           H        GLU  41  14.646 -30.216  -4.797
  325    HA   GLU  41           HA       GLU  41  14.716 -32.793  -6.098
  326    HB2  GLU  41           HB2      GLU  41  15.745 -32.023  -8.166
  327    HB3  GLU  41           HB3      GLU  41  14.127 -31.349  -8.021
  328    HG2  GLU  41           HG2      GLU  41  15.108 -29.177  -7.262
  329    HG3  GLU  41           HG3      GLU  41  16.727 -29.858  -7.435
  330    H    VAL  42           H        VAL  42  17.028 -33.349  -6.508
  331    HA   VAL  42           HA       VAL  42  19.014 -31.736  -4.990
  332    HB   VAL  42           HB       VAL  42  18.864 -34.773  -4.863
  333   HG11  VAL  42          HG11      VAL  42  21.127 -33.842  -4.534
  334   HG12  VAL  42          HG12      VAL  42  20.512 -32.759  -3.267
  335   HG13  VAL  42          HG13      VAL  42  20.505 -34.520  -3.029
  336   HG21  VAL  42          HG21      VAL  42  18.179 -34.505  -2.475
  337   HG22  VAL  42          HG22      VAL  42  17.966 -32.761  -2.748
  338   HG23  VAL  42          HG23      VAL  42  16.939 -33.943  -3.592
  339    H    ALA  43           H        ALA  43  18.389 -34.330  -7.364
  340    HA   ALA  43           HA       ALA  43  20.286 -33.201  -9.258
  341    HB1  ALA  43           HB1      ALA  43  21.504 -35.373  -9.500
  342    HB2  ALA  43           HB2      ALA  43  21.756 -34.669  -7.890
  343    HB3  ALA  43           HB3      ALA  43  20.618 -36.017  -8.096
  344    H    GLY  44           H        GLY  44  19.935 -34.215 -11.387
  345    HA2  GLY  44           HA2      GLY  44  18.285 -36.350 -12.016
  346    HA3  GLY  44           HA3      GLY  44  17.222 -34.931 -11.960
  347    H    ALA  45           H        ALA  45  17.492 -36.157 -14.371
  348    HA   ALA  45           HA       ALA  45  19.623 -35.116 -15.999
  349    HB1  ALA  45           HB1      ALA  45  18.350 -37.154 -16.588
  350    HB2  ALA  45           HB2      ALA  45  16.872 -36.180 -16.787
  351    HB3  ALA  45           HB3      ALA  45  18.252 -35.939 -17.877
  352    H    GLY  46           H        GLY  46  16.421 -33.909 -15.087
  353    HA2  GLY  46           HA2      GLY  46  16.708 -31.221 -15.472
  354    HA3  GLY  46           HA3      GLY  46  16.300 -31.822 -17.091
  355    H    ALA  47           H        ALA  47  14.379 -30.376 -16.576
  356    HA   ALA  47           HA       ALA  47  12.237 -31.347 -14.898
  357    HB1  ALA  47           HB1      ALA  47  12.358 -29.011 -15.731
  358    HB2  ALA  47           HB2      ALA  47  12.185 -29.598 -17.404
  359    HB3  ALA  47           HB3      ALA  47  10.859 -29.797 -16.245
  360    H    ALA  48           H        ALA  48  10.125 -32.109 -15.928
  361    HA   ALA  48           HA       ALA  48  10.467 -34.588 -17.217
  362    HB1  ALA  48           HB1      ALA  48   8.054 -34.610 -17.474
  363    HB2  ALA  48           HB2      ALA  48   8.441 -33.921 -15.888
  364    HB3  ALA  48           HB3      ALA  48   7.947 -32.866 -17.248
  365    H    SER  49           H        SER  49  10.028 -35.324 -19.337
  366    HA   SER  49           HA       SER  49  10.578 -33.590 -21.565
  367    HB2  SER  49           HB2      SER  49   9.758 -35.745 -22.775
  368    HB3  SER  49           HB3      SER  49  11.238 -35.822 -21.805
  369    HG   SER  49           HG       SER  49   9.832 -37.578 -21.375
  370    H    VAL  50           H        VAL  50   7.625 -34.922 -20.031
  371    HA   VAL  50           HA       VAL  50   5.828 -33.978 -22.042
  372    HB   VAL  50           HB       VAL  50   4.063 -34.379 -20.321
  373   HG11  VAL  50          HG11      VAL  50   4.325 -36.816 -20.301
  374   HG12  VAL  50          HG12      VAL  50   4.795 -36.146 -21.871
  375   HG13  VAL  50          HG13      VAL  50   6.044 -36.664 -20.719
  376   HG21  VAL  50          HG21      VAL  50   4.541 -35.365 -18.200
  377   HG22  VAL  50          HG22      VAL  50   6.273 -35.476 -18.542
  378   HG23  VAL  50          HG23      VAL  50   5.510 -33.886 -18.291
  379    H    MET  51           H        MET  51   4.197 -32.292 -21.807
  380    HA   MET  51           HA       MET  51   5.393 -29.791 -21.354
  381    HB2  MET  51           HB2      MET  51   2.447 -30.535 -21.624
  382    HB3  MET  51           HB3      MET  51   3.078 -28.884 -21.693
  383    HG2  MET  51           HG2      MET  51   4.480 -29.482 -23.639
  384    HG3  MET  51           HG3      MET  51   3.826 -31.124 -23.611
  385    HE1  MET  51           HE1      MET  51   2.258 -29.619 -26.866
  386    HE2  MET  51           HE2      MET  51   3.873 -29.291 -26.202
  387    HE3  MET  51           HE3      MET  51   3.215 -30.944 -26.166
  388    H    SER  52           H        SER  52   3.798 -31.861 -19.023
  389    HA   SER  52           HA       SER  52   3.062 -30.049 -17.045
  390    HB2  SER  52           HB2      SER  52   4.415 -32.722 -16.549
  391    HB3  SER  52           HB3      SER  52   3.149 -31.940 -15.594
  392    HG   SER  52           HG       SER  52   2.287 -33.596 -16.898
  393    H    ALA  53           H        ALA  53   6.289 -30.892 -18.147
  394    HA   ALA  53           HA       ALA  53   8.370 -30.405 -17.447
  395    HB1  ALA  53           HB1      ALA  53   8.728 -27.992 -17.341
  396    HB2  ALA  53           HB2      ALA  53   7.501 -28.386 -18.557
  397    HB3  ALA  53           HB3      ALA  53   7.008 -27.728 -16.977
  398    H    LEU  54           H        LEU  54   7.014 -31.669 -15.258
  399    HA   LEU  54           HA       LEU  54   7.131 -32.122 -13.088
  400    HB2  LEU  54           HB2      LEU  54   9.512 -32.269 -13.818
  401    HB3  LEU  54           HB3      LEU  54   9.769 -30.637 -13.202
  402    HG   LEU  54           HG       LEU  54   9.469 -31.389 -10.904
  403   HD11  LEU  54          HD11      LEU  54   9.123 -33.803 -10.369
  404   HD12  LEU  54          HD12      LEU  54   7.710 -33.084 -11.137
  405   HD13  LEU  54          HD13      LEU  54   8.799 -34.125 -12.088
  406   HD21  LEU  54          HD21      LEU  54  11.676 -31.667 -11.950
  407   HD22  LEU  54          HD22      LEU  54  11.371 -32.903 -10.721
  408   HD23  LEU  54          HD23      LEU  54  11.244 -33.318 -12.444
  409    H    THR  55           H        THR  55   6.222 -29.219 -13.943
  410    HA   THR  55           HA       THR  55   6.078 -28.091 -11.204
  411    HB   THR  55           HB       THR  55   6.543 -26.508 -13.734
  412    HG1  THR  55           HG1      THR  55   8.328 -27.819 -13.563
  413   HG21  THR  55          HG21      THR  55   7.646 -24.841 -12.130
  414   HG22  THR  55          HG22      THR  55   5.914 -25.038 -11.888
  415   HG23  THR  55          HG23      THR  55   7.049 -25.844 -10.787
  416    H    ASP  56           H        ASP  56   4.298 -29.444 -13.236
  417    HA   ASP  56           HA       ASP  56   2.041 -27.649 -13.305
  418    HB2  ASP  56           HB2      ASP  56   0.793 -29.289 -14.377
  419    HB3  ASP  56           HB3      ASP  56   2.424 -29.673 -14.907
  420    H    LYS  57           H        LYS  57   3.450 -28.929 -10.888
  421    HA   LYS  57           HA       LYS  57   1.212 -28.685  -9.030
  422    HB2  LYS  57           HB2      LYS  57   1.676 -30.625  -7.844
  423    HB3  LYS  57           HB3      LYS  57   1.794 -31.136  -9.531
  424    HG2  LYS  57           HG2      LYS  57   4.230 -31.162  -9.409
  425    HG3  LYS  57           HG3      LYS  57   4.188 -30.469  -7.774
  426    HD2  LYS  57           HD2      LYS  57   3.012 -32.433  -6.908
  427    HD3  LYS  57           HD3      LYS  57   3.031 -33.178  -8.522
  428    HE2  LYS  57           HE2      LYS  57   5.466 -33.265  -8.517
  429    HE3  LYS  57           HE3      LYS  57   5.545 -32.319  -7.022
  430    HZ1  LYS  57           HZ1      LYS  57   5.846 -34.713  -6.665
  431    HZ2  LYS  57           HZ2      LYS  57   4.590 -34.119  -5.809
  432    HZ3  LYS  57           HZ3      LYS  57   4.325 -35.008  -7.175
  433    H    ALA  58           H        ALA  58   2.242 -28.267  -6.768
  434    HA   ALA  58           HA       ALA  58   4.964 -27.140  -6.818
  435    HB1  ALA  58           HB1      ALA  58   4.210 -24.906  -6.045
  436    HB2  ALA  58           HB2      ALA  58   3.606 -25.249  -7.674
  437    HB3  ALA  58           HB3      ALA  58   2.515 -25.382  -6.280
  438    H    ILE  59           H        ILE  59   5.224 -26.047  -4.440
  439    HA   ILE  59           HA       ILE  59   3.728 -27.666  -2.487
  440    HB   ILE  59           HB       ILE  59   5.621 -28.572  -1.450
  441   HG12  ILE  59          HG12      ILE  59   7.465 -27.219  -3.455
  442   HG13  ILE  59          HG13      ILE  59   7.239 -26.722  -1.769
  443   HG21  ILE  59          HG21      ILE  59   6.402 -30.238  -3.003
  444   HG22  ILE  59          HG22      ILE  59   4.770 -29.839  -3.464
  445   HG23  ILE  59          HG23      ILE  59   6.113 -29.165  -4.390
  446   HD11  ILE  59          HD11      ILE  59   7.917 -29.020  -1.047
  447   HD12  ILE  59          HD12      ILE  59   8.385 -29.354  -2.726
  448   HD13  ILE  59          HD13      ILE  59   9.210 -28.064  -1.830
  449    H    VAL  60           H        VAL  60   3.937 -26.820  -0.321
  450    HA   VAL  60           HA       VAL  60   4.410 -23.894  -0.295
  451    HB   VAL  60           HB       VAL  60   3.422 -25.847   1.806
  452   HG11  VAL  60          HG11      VAL  60   2.663 -23.822   3.041
  453   HG12  VAL  60          HG12      VAL  60   4.414 -23.825   2.854
  454   HG13  VAL  60          HG13      VAL  60   3.417 -22.788   1.806
  455   HG21  VAL  60          HG21      VAL  60   1.801 -25.620  -0.064
  456   HG22  VAL  60          HG22      VAL  60   1.190 -24.912   1.423
  457   HG23  VAL  60          HG23      VAL  60   1.820 -23.853   0.142
  458    H    LYS  61           H        LYS  61   6.177 -23.013   0.751
  459    HA   LYS  61           HA       LYS  61   8.293 -24.828   1.793
  460    HB2  LYS  61           HB2      LYS  61   8.307 -24.194  -0.772
  461    HB3  LYS  61           HB3      LYS  61   8.705 -22.578  -0.231
  462    HG2  LYS  61           HG2      LYS  61  10.725 -23.646  -0.871
  463    HG3  LYS  61           HG3      LYS  61  10.773 -23.550   0.892
  464    HD2  LYS  61           HD2      LYS  61  10.168 -25.931   1.074
  465    HD3  LYS  61           HD3      LYS  61   9.819 -25.999  -0.654
  466    HE2  LYS  61           HE2      LYS  61  11.940 -27.071  -0.231
  467    HE3  LYS  61           HE3      LYS  61  12.185 -25.617  -1.201
  468    HZ1  LYS  61           HZ1      LYS  61  13.811 -25.882   0.593
  469    HZ2  LYS  61           HZ2      LYS  61  13.011 -24.473   0.737
  470    HZ3  LYS  61           HZ3      LYS  61  12.649 -25.749   1.725
  471    H    LYS  62           H        LYS  62   9.978 -23.532   2.992
  472    HA   LYS  62           HA       LYS  62   9.078 -20.848   3.868
  473    HB2  LYS  62           HB2      LYS  62   8.462 -22.522   5.610
  474    HB3  LYS  62           HB3      LYS  62  10.135 -23.087   5.662
  475    HG2  LYS  62           HG2      LYS  62  10.883 -20.877   6.479
  476    HG3  LYS  62           HG3      LYS  62   9.226 -20.256   6.353
  477    HD2  LYS  62           HD2      LYS  62   8.461 -21.919   8.010
  478    HD3  LYS  62           HD3      LYS  62  10.115 -22.559   8.141
  479    HE2  LYS  62           HE2      LYS  62  10.907 -20.348   8.949
  480    HE3  LYS  62           HE3      LYS  62   9.269 -19.695   8.771
  481    HZ1  LYS  62           HZ1      LYS  62  10.057 -21.859  10.632
  482    HZ2  LYS  62           HZ2      LYS  62   9.651 -20.333  11.049
  483    HZ3  LYS  62           HZ3      LYS  62   8.516 -21.338  10.405
  484    H    GLU  63           H        GLU  63  10.837 -19.390   4.041
  485    HA   GLU  63           HA       GLU  63  13.581 -20.315   3.571
  486    HB2  GLU  63           HB2      GLU  63  11.946 -18.713   1.557
  487    HB3  GLU  63           HB3      GLU  63  13.701 -18.821   1.506
  488    HG2  GLU  63           HG2      GLU  63  11.709 -21.073   1.051
  489    HG3  GLU  63           HG3      GLU  63  12.696 -20.268  -0.152
  490    H    LEU  64           H        LEU  64  15.059 -18.464   3.701
  491    HA   LEU  64           HA       LEU  64  14.270 -16.332   5.492
  492    HB2  LEU  64           HB2      LEU  64  16.615 -17.345   5.223
  493    HB3  LEU  64           HB3      LEU  64  16.681 -16.598   3.628
  494    HG   LEU  64           HG       LEU  64  16.270 -14.344   4.873
  495   HD11  LEU  64          HD11      LEU  64  15.643 -15.423   7.077
  496   HD12  LEU  64          HD12      LEU  64  17.308 -16.000   7.220
  497   HD13  LEU  64          HD13      LEU  64  16.965 -14.255   7.206
  498   HD21  LEU  64          HD21      LEU  64  18.406 -14.917   3.832
  499   HD22  LEU  64          HD22      LEU  64  18.705 -14.151   5.400
  500   HD23  LEU  64          HD23      LEU  64  18.862 -15.910   5.232
  501    H    LEU  65           H        LEU  65  13.517 -14.271   4.907
  502    HA   LEU  65           HA       LEU  65  12.119 -13.995   2.502
  503    HB2  LEU  65           HB2      LEU  65  11.750 -12.709   4.610
  504    HB3  LEU  65           HB3      LEU  65  13.156 -11.719   4.261
  505    HG   LEU  65           HG       LEU  65  10.931 -11.971   2.199
  506   HD11  LEU  65          HD11      LEU  65  10.975  -9.986   4.542
  507   HD12  LEU  65          HD12      LEU  65   9.790 -10.015   3.218
  508   HD13  LEU  65          HD13      LEU  65   9.843 -11.333   4.388
  509   HD21  LEU  65          HD21      LEU  65  12.793  -9.644   2.906
  510   HD22  LEU  65          HD22      LEU  65  12.925 -10.661   1.464
  511   HD23  LEU  65          HD23      LEU  65  11.532  -9.629   1.656
  512    H    TYR  66           H        TYR  66  15.311 -12.630   3.328
  513    HA   TYR  66           HA       TYR  66  15.527 -11.101   0.997
  514    HB2  TYR  66           HB2      TYR  66  17.882 -12.147   2.591
  515    HB3  TYR  66           HB3      TYR  66  17.735 -10.607   1.740
  516    HD1  TYR  66           HD2      TYR  66  15.722  -9.040   2.559
  517    HD2  TYR  66           HD1      TYR  66  17.387 -12.256   4.902
  518    HE1  TYR  66           HE2      TYR  66  14.492  -8.225   4.545
  519    HE2  TYR  66           HE1      TYR  66  16.113 -11.488   6.875
  520    HH   TYR  66           HH       TYR  66  13.895  -8.669   6.741
  521    H    ASP  67           H        ASP  67  16.112 -14.538   1.427
  522    HA   ASP  67           HA       ASP  67  17.664 -14.844  -1.043
  523    HB2  ASP  67           HB2      ASP  67  17.920 -16.467   0.782
  524    HB3  ASP  67           HB3      ASP  67  16.204 -16.874   0.691
  525    H    VAL  68           H        VAL  68  14.232 -15.060   0.009
  526    HA   VAL  68           HA       VAL  68  13.230 -16.026  -2.509
  527    HB   VAL  68           HB       VAL  68  11.766 -14.463  -0.306
  528   HG11  VAL  68          HG11      VAL  68   9.739 -15.505  -1.255
  529   HG12  VAL  68          HG12      VAL  68  10.534 -14.493  -2.465
  530   HG13  VAL  68          HG13      VAL  68  10.705 -16.252  -2.547
  531   HG21  VAL  68          HG21      VAL  68  12.688 -16.520   0.627
  532   HG22  VAL  68          HG22      VAL  68  10.971 -16.785   0.321
  533   HG23  VAL  68          HG23      VAL  68  12.172 -17.457  -0.791
  534    H    ALA  69           H        ALA  69  13.616 -12.739  -1.087
  535    HA   ALA  69           HA       ALA  69  12.542 -11.328  -3.318
  536    HB1  ALA  69           HB1      ALA  69  14.583 -10.441  -1.227
  537    HB2  ALA  69           HB2      ALA  69  13.691  -9.373  -2.327
  538    HB3  ALA  69           HB3      ALA  69  12.812 -10.306  -1.098
  539    H    GLY  70           H        GLY  70  15.997 -12.059  -2.441
  540    HA2  GLY  70           HA2      GLY  70  17.917 -11.901  -3.685
  541    HA3  GLY  70           HA3      GLY  70  16.951 -12.419  -5.077
  542    H    SER  71           H        SER  71  17.366 -10.999  -6.709
  543    HA   SER  71           HA       SER  71  18.051  -8.253  -6.351
  544    HB2  SER  71           HB2      SER  71  17.114  -9.672  -8.874
  545    HB3  SER  71           HB3      SER  71  18.137  -8.229  -8.765
  546    HG   SER  71           HG       SER  71  19.352 -10.136  -9.149
  547    H    ASP  72           H        ASP  72  14.914  -9.663  -6.153
  548    HA   ASP  72           HA       ASP  72  13.467  -7.638  -7.621
  549    HB2  ASP  72           HB2      ASP  72  12.439  -9.684  -5.626
  550    HB3  ASP  72           HB3      ASP  72  11.452  -8.634  -6.617
  551    H    LYS  73           H        LYS  73  11.380  -7.028  -5.929
  552    HA   LYS  73           HA       LYS  73  12.349  -5.578  -3.591
  553    HB2  LYS  73           HB2      LYS  73  11.356  -3.457  -4.335
  554    HB3  LYS  73           HB3      LYS  73  12.654  -3.951  -5.424
  555    HG2  LYS  73           HG2      LYS  73  10.862  -4.906  -6.987
  556    HG3  LYS  73           HG3      LYS  73   9.657  -4.227  -5.888
  557    HD2  LYS  73           HD2      LYS  73   9.900  -2.728  -7.735
  558    HD3  LYS  73           HD3      LYS  73  10.565  -1.945  -6.293
  559    HE2  LYS  73           HE2      LYS  73  12.866  -2.554  -7.028
  560    HE3  LYS  73           HE3      LYS  73  12.200  -3.380  -8.442
  561    HZ1  LYS  73           HZ1      LYS  73  11.350  -1.240  -9.208
  562    HZ2  LYS  73           HZ2      LYS  73  11.960  -0.476  -7.896
  563    HZ3  LYS  73           HZ3      LYS  73  12.960  -1.157  -8.986
  564    H    TYR  74           H        TYR  74  10.343  -4.929  -2.296
  565    HA   TYR  74           HA       TYR  74   7.913  -6.443  -2.947
  566    HB2  TYR  74           HB2      TYR  74   8.215  -7.915  -0.962
  567    HB3  TYR  74           HB3      TYR  74   9.397  -8.197  -2.223
  568    HD1  TYR  74           HD1      TYR  74   8.829  -6.876   1.203
  569    HD2  TYR  74           HD2      TYR  74  11.784  -7.719  -1.831
  570    HE1  TYR  74           HE1      TYR  74  10.632  -6.511   2.861
  571    HE2  TYR  74           HE2      TYR  74  13.590  -7.347  -0.186
  572    HH   TYR  74           HH       TYR  74  14.108  -6.764   1.992
  573    H    GLN  75           H        GLN  75   6.308  -6.279  -1.152
  574    HA   GLN  75           HA       GLN  75   6.753  -4.275   0.876
  575    HB2  GLN  75           HB2      GLN  75   4.985  -2.719   0.163
  576    HB3  GLN  75           HB3      GLN  75   6.350  -2.748  -0.945
  577    HG2  GLN  75           HG2      GLN  75   5.008  -4.281  -2.453
  578    HG3  GLN  75           HG3      GLN  75   3.616  -4.010  -1.399
  579   HE21  GLN  75          HE22      GLN  75   3.676  -3.348  -4.203
  580   HE22  GLN  75          HE21      GLN  75   3.618  -1.597  -4.351
  581    H    VAL  76           H        VAL  76   4.876  -4.067   2.337
  582    HA   VAL  76           HA       VAL  76   3.444  -6.561   2.697
  583    HB   VAL  76           HB       VAL  76   3.109  -3.821   4.008
  584   HG11  VAL  76          HG11      VAL  76   1.036  -5.074   4.285
  585   HG12  VAL  76          HG12      VAL  76   1.927  -6.539   4.750
  586   HG13  VAL  76          HG13      VAL  76   1.916  -5.114   5.813
  587   HG21  VAL  76          HG21      VAL  76   5.323  -4.852   4.498
  588   HG22  VAL  76          HG22      VAL  76   4.288  -4.798   5.926
  589   HG23  VAL  76          HG23      VAL  76   4.494  -6.326   5.048
  590    H    ASN  77           H        ASN  77   1.435  -7.018   1.913
  591    HA   ASN  77           HA       ASN  77  -0.366  -4.873   1.088
  592    HB2  ASN  77           HB2      ASN  77   0.911  -5.212  -1.006
  593    HB3  ASN  77           HB3      ASN  77   0.458  -6.916  -1.005
  594   HD21  ASN  77          HD22      ASN  77  -0.316  -5.869  -3.233
  595   HD22  ASN  77          HD21      ASN  77  -2.006  -5.380  -3.252
  596    H    ASN  78           H        ASN  78  -1.053  -5.955   3.158
  597    HA   ASN  78           HA       ASN  78  -2.416  -8.525   3.031
  598    HB2  ASN  78           HB2      ASN  78  -2.913  -6.088   4.794
  599    HB3  ASN  78           HB3      ASN  78  -3.695  -7.663   4.966
  600   HD21  ASN  78          HD21      ASN  78  -1.440  -5.884   6.485
  601   HD22  ASN  78          HD22      ASN  78  -0.423  -7.178   7.083
  602    H    LYS  79           H        LYS  79  -4.148  -8.880   1.702
  603    HA   LYS  79           HA       LYS  79  -4.969  -6.975  -0.127
  604    HB2  LYS  79           HB2      LYS  79  -6.470  -9.457   0.797
  605    HB3  LYS  79           HB3      LYS  79  -6.929  -8.516  -0.610
  606    HG2  LYS  79           HG2      LYS  79  -4.252  -9.932  -0.257
  607    HG3  LYS  79           HG3      LYS  79  -5.631 -10.553  -1.154
  608    HD2  LYS  79           HD2      LYS  79  -4.017  -8.079  -1.897
  609    HD3  LYS  79           HD3      LYS  79  -3.942  -9.676  -2.649
  610    HE2  LYS  79           HE2      LYS  79  -6.481  -9.410  -3.094
  611    HE3  LYS  79           HE3      LYS  79  -6.257  -7.699  -2.698
  612    HZ1  LYS  79           HZ1      LYS  79  -4.586  -7.645  -4.520
  613    HZ2  LYS  79           HZ2      LYS  79  -4.943  -9.219  -4.882
  614    HZ3  LYS  79           HZ3      LYS  79  -6.073  -8.052  -5.056
  615    H    HIS  80           H        HIS  80  -6.762  -7.797   2.890
  616    HA   HIS  80           HA       HIS  80  -8.285  -5.261   2.599
  617    HB2  HIS  80           HB2      HIS  80  -9.578  -7.951   3.147
  618    HB3  HIS  80           HB3      HIS  80 -10.352  -6.366   3.105
  619    HD2  HIS  80           HD2      HIS  80  -9.239  -9.197   0.828
  620    HE1  HIS  80           HE1      HIS  80 -10.874  -6.211  -1.738
  621    HE2  HIS  80           HE2      HIS  80 -10.033  -8.610  -1.611
  622    H    ASP  81           H        ASP  81  -6.061  -5.861   4.394
  623    HA   ASP  81           HA       ASP  81  -7.016  -6.396   7.050
  624    HB2  ASP  81           HB2      ASP  81  -4.677  -6.417   6.502
  625    HB3  ASP  81           HB3      ASP  81  -4.707  -4.705   6.051
  626    H    ASP  82           H        ASP  82  -8.023  -3.992   4.999
  627    HA   ASP  82           HA       ASP  82  -8.289  -1.785   6.976
  628    HB2  ASP  82           HB2      ASP  82  -7.725  -1.225   4.625
  629    HB3  ASP  82           HB3      ASP  82  -9.201  -2.029   4.080
  630    H    LYS  83           H        LYS  83  -9.909  -4.579   5.725
  631    HA   LYS  83           HA       LYS  83 -12.571  -3.678   6.724
  632    HB2  LYS  83           HB2      LYS  83 -12.045  -5.920   4.749
  633    HB3  LYS  83           HB3      LYS  83 -13.565  -5.093   5.084
  634    HG2  LYS  83           HG2      LYS  83 -11.174  -3.998   3.572
  635    HG3  LYS  83           HG3      LYS  83 -12.721  -4.523   2.911
  636    HD2  LYS  83           HD2      LYS  83 -13.874  -2.699   4.224
  637    HD3  LYS  83           HD3      LYS  83 -12.271  -2.134   4.753
  638    HE2  LYS  83           HE2      LYS  83 -11.659  -2.154   2.242
  639    HE3  LYS  83           HE3      LYS  83 -13.399  -2.277   1.945
  640    HZ1  LYS  83           HZ1      LYS  83 -13.640  -0.172   3.198
  641    HZ2  LYS  83           HZ2      LYS  83 -12.007  -0.113   3.428
  642    HZ3  LYS  83           HZ3      LYS  83 -12.642   0.034   1.921
  643    H    TYR  84           H        TYR  84 -10.275  -6.422   6.551
  644    HA   TYR  84           HA       TYR  84 -11.470  -7.643   8.978
  645    HB2  TYR  84           HB2      TYR  84 -11.391  -8.983   6.235
  646    HB3  TYR  84           HB3      TYR  84 -11.769  -9.803   7.738
  647    HD1  TYR  84           HD2      TYR  84 -13.803  -9.035   9.106
  648    HD2  TYR  84           HD1      TYR  84 -13.139  -7.983   4.979
  649    HE1  TYR  84           HE2      TYR  84 -16.223  -8.531   8.852
  650    HE2  TYR  84           HE1      TYR  84 -15.551  -7.471   4.706
  651    HH   TYR  84           HH       TYR  84 -17.636  -7.388   5.745
  652    H    SER  85           H        SER  85 -10.322  -9.403   9.774
  653    HA   SER  85           HA       SER  85  -8.194 -10.793   8.601
  654    HB2  SER  85           HB2      SER  85  -7.321  -8.653  10.562
  655    HB3  SER  85           HB3      SER  85  -6.427 -10.173  10.325
  656    HG   SER  85           HG       SER  85  -7.204  -8.530   8.164
  657    HA   PRO  86           HA       PRO  86 -11.032 -12.239  11.970
  658    HB2  PRO  86           HB2      PRO  86 -11.598 -14.737  10.938
  659    HB3  PRO  86           HB3      PRO  86 -12.442 -13.229  10.454
  660    HG2  PRO  86           HG2      PRO  86 -10.123 -14.617   9.082
  661    HG3  PRO  86           HG3      PRO  86 -11.632 -13.988   8.340
  662    HD2  PRO  86           HD2      PRO  86  -9.346 -12.546   8.285
  663    HD3  PRO  86           HD3      PRO  86 -10.916 -11.745   8.579
  664    H    LEU  87           H        LEU  87  -8.038 -13.475  10.856
  665    HA   LEU  87           HA       LEU  87  -7.832 -15.436  13.085
  666    HB2  LEU  87           HB2      LEU  87  -6.312 -15.099  10.477
  667    HB3  LEU  87           HB3      LEU  87  -5.838 -16.236  11.743
  668    HG   LEU  87           HG       LEU  87  -8.552 -16.258  10.332
  669   HD11  LEU  87          HD11      LEU  87  -6.073 -17.968   9.850
  670   HD12  LEU  87          HD12      LEU  87  -7.675 -18.248   9.129
  671   HD13  LEU  87          HD13      LEU  87  -6.777 -16.773   8.745
  672   HD21  LEU  87          HD21      LEU  87  -8.716 -18.571  11.276
  673   HD22  LEU  87          HD22      LEU  87  -7.219 -18.292  12.188
  674   HD23  LEU  87          HD23      LEU  87  -8.683 -17.342  12.536
  675    HA   PRO  88           HA       PRO  88  -5.155 -12.153  14.752
  676    HB2  PRO  88           HB2      PRO  88  -4.411 -13.363  17.091
  677    HB3  PRO  88           HB3      PRO  88  -6.021 -12.616  16.856
  678    HG2  PRO  88           HG2      PRO  88  -5.261 -15.532  16.608
  679    HG3  PRO  88           HG3      PRO  88  -6.665 -14.827  17.469
  680    HD2  PRO  88           HD2      PRO  88  -6.840 -15.864  14.940
  681    HD3  PRO  88           HD3      PRO  88  -7.830 -14.463  15.452
  682    H    CYS  89           H        CYS  89  -2.834 -12.003  15.066
  683    HA   CYS  89           HA       CYS  89  -1.447 -13.082  13.039
  684    HB2  CYS  89           HB2      CYS  89  -0.211 -12.244  15.692
  685    HB3  CYS  89           HB3      CYS  89   0.604 -12.309  14.121
  686    HG   CYS  89           HG       CYS  89   0.109  -9.818  14.756
  687    H    SER  90           H        SER  90  -1.282 -14.458  16.386
  688    HA   SER  90           HA       SER  90   0.592 -16.412  15.913
  689    HB2  SER  90           HB2      SER  90  -1.844 -16.765  17.691
  690    HB3  SER  90           HB3      SER  90  -0.220 -17.442  17.920
  691    HG   SER  90           HG       SER  90  -0.584 -15.594  19.231
  692    H    LYS  91           H        LYS  91  -2.915 -16.660  15.245
  693    HA   LYS  91           HA       LYS  91  -2.836 -19.455  14.557
  694    HB2  LYS  91           HB2      LYS  91  -4.874 -17.311  13.857
  695    HB3  LYS  91           HB3      LYS  91  -5.071 -19.039  13.567
  696    HG2  LYS  91           HG2      LYS  91  -4.757 -17.768  16.319
  697    HG3  LYS  91           HG3      LYS  91  -6.280 -18.253  15.568
  698    HD2  LYS  91           HD2      LYS  91  -5.440 -20.634  15.495
  699    HD3  LYS  91           HD3      LYS  91  -3.975 -20.101  16.329
  700    HE2  LYS  91           HE2      LYS  91  -5.387 -21.032  17.989
  701    HE3  LYS  91           HE3      LYS  91  -5.364 -19.286  18.239
  702    HZ1  LYS  91           HZ1      LYS  91  -7.546 -19.181  17.158
  703    HZ2  LYS  91           HZ2      LYS  91  -7.543 -20.799  16.903
  704    HZ3  LYS  91           HZ3      LYS  91  -7.593 -20.210  18.418
  705    H    ILE  92           H        ILE  92  -2.341 -16.430  12.700
  706    HA   ILE  92           HA       ILE  92  -2.378 -17.653  10.117
  707    HB   ILE  92           HB       ILE  92  -0.681 -15.282  11.006
  708   HG12  ILE  92          HG12      ILE  92  -3.551 -15.216   9.958
  709   HG13  ILE  92          HG13      ILE  92  -3.088 -14.928  11.631
  710   HG21  ILE  92          HG21      ILE  92  -0.088 -16.230   8.819
  711   HG22  ILE  92          HG22      ILE  92  -1.776 -16.075   8.289
  712   HG23  ILE  92          HG23      ILE  92  -0.806 -14.636   8.641
  713   HD11  ILE  92          HD11      ILE  92  -2.362 -13.202   9.262
  714   HD12  ILE  92          HD12      ILE  92  -3.389 -12.796  10.647
  715   HD13  ILE  92          HD13      ILE  92  -1.641 -13.022  10.871
  716    H    ILE  93           H        ILE  93   0.307 -17.029  12.486
  717    HA   ILE  93           HA       ILE  93   2.340 -18.285  10.986
  718    HB   ILE  93           HB       ILE  93   2.182 -18.395  14.027
  719   HG12  ILE  93          HG12      ILE  93   1.726 -16.138  13.641
  720   HG13  ILE  93          HG13      ILE  93   3.393 -16.251  14.124
  721   HG21  ILE  93          HG21      ILE  93   4.647 -18.219  13.844
  722   HG22  ILE  93          HG22      ILE  93   3.987 -19.653  13.053
  723   HG23  ILE  93          HG23      ILE  93   4.504 -18.265  12.071
  724   HD11  ILE  93          HD11      ILE  93   2.423 -15.812  11.256
  725   HD12  ILE  93          HD12      ILE  93   3.118 -14.603  12.343
  726   HD13  ILE  93          HD13      ILE  93   4.121 -15.946  11.771
  727    H    GLN  94           H        GLN  94   0.192 -19.629  13.508
  728    HA   GLN  94           HA       GLN  94   1.138 -22.256  13.605
  729    HB2  GLN  94           HB2      GLN  94  -1.620 -21.026  13.970
  730    HB3  GLN  94           HB3      GLN  94  -1.395 -22.756  14.143
  731    HG2  GLN  94           HG2      GLN  94   0.050 -20.629  15.778
  732    HG3  GLN  94           HG3      GLN  94  -1.368 -21.531  16.292
  733   HE21  GLN  94          HE22      GLN  94  -0.940 -24.142  15.787
  734   HE22  GLN  94          HE21      GLN  94   0.553 -24.713  16.485
  735    H    ARG  95           H        ARG  95  -1.346 -20.896  11.413
  736    HA   ARG  95           HA       ARG  95  -1.824 -23.401  10.092
  737    HB2  ARG  95           HB2      ARG  95  -3.424 -21.510  10.117
  738    HB3  ARG  95           HB3      ARG  95  -2.313 -20.538   9.154
  739    HG2  ARG  95           HG2      ARG  95  -4.134 -21.411   7.798
  740    HG3  ARG  95           HG3      ARG  95  -2.584 -22.046   7.252
  741    HD2  ARG  95           HD2      ARG  95  -3.020 -24.204   8.275
  742    HD3  ARG  95           HD3      ARG  95  -4.517 -23.596   9.020
  743    HE   ARG  95           HE       ARG  95  -4.858 -23.108   6.325
  744   HH11  ARG  95          HH21      ARG  95  -4.198 -26.082   8.212
  745   HH12  ARG  95          HH22      ARG  95  -5.036 -27.094   7.083
  746   HH21  ARG  95          HH11      ARG  95  -5.805 -24.452   4.818
  747   HH22  ARG  95          HH12      ARG  95  -5.966 -26.162   5.106
  748    H    ALA  96           H        ALA  96   0.250 -20.568   9.186
  749    HA   ALA  96           HA       ALA  96   1.226 -21.617   6.766
  750    HB1  ALA  96           HB1      ALA  96   1.572 -19.277   7.575
  751    HB2  ALA  96           HB2      ALA  96   2.720 -19.883   8.786
  752    HB3  ALA  96           HB3      ALA  96   3.083 -20.050   7.058
  753    H    GLU  97           H        GLU  97   2.449 -22.046  10.078
  754    HA   GLU  97           HA       GLU  97   4.731 -23.595   9.460
  755    HB2  GLU  97           HB2      GLU  97   3.035 -23.290  11.960
  756    HB3  GLU  97           HB3      GLU  97   4.489 -24.277  11.934
  757    HG2  GLU  97           HG2      GLU  97   4.496 -21.335  11.139
  758    HG3  GLU  97           HG3      GLU  97   4.744 -21.897  12.792
  759    H    GLU  98           H        GLU  98   1.304 -24.585   9.767
  760    HA   GLU  98           HA       GLU  98   1.907 -27.384  10.149
  761    HB2  GLU  98           HB2      GLU  98  -0.107 -26.791  11.078
  762    HB3  GLU  98           HB3      GLU  98  -0.465 -25.569   9.870
  763    HG2  GLU  98           HG2      GLU  98  -1.095 -27.205   8.245
  764    HG3  GLU  98           HG3      GLU  98  -0.655 -28.535   9.337
  765    H    LEU  99           H        LEU  99   1.516 -25.087   7.532
  766    HA   LEU  99           HA       LEU  99   1.055 -27.149   5.516
  767    HB2  LEU  99           HB2      LEU  99   1.281 -24.129   5.381
  768    HB3  LEU  99           HB3      LEU  99   0.830 -25.156   4.021
  769    HG   LEU  99           HG       LEU  99  -0.730 -25.195   6.647
  770   HD11  LEU  99          HD11      LEU  99  -0.745 -22.908   5.807
  771   HD12  LEU  99          HD12      LEU  99  -1.221 -23.465   4.187
  772   HD13  LEU  99          HD13      LEU  99  -2.328 -23.656   5.547
  773   HD21  LEU  99          HD21      LEU  99  -2.549 -26.061   5.203
  774   HD22  LEU  99          HD22      LEU  99  -1.471 -26.010   3.794
  775   HD23  LEU  99          HD23      LEU  99  -1.138 -27.113   5.142
  776    H    VAL 100           H        VAL 100   3.934 -25.536   6.716
  777    HA   VAL 100           HA       VAL 100   5.440 -25.420   4.366
  778    HB   VAL 100           HB       VAL 100   6.524 -26.238   7.100
  779   HG11  VAL 100          HG11      VAL 100   8.604 -25.137   6.311
  780   HG12  VAL 100          HG12      VAL 100   8.180 -26.500   5.280
  781   HG13  VAL 100          HG13      VAL 100   7.854 -24.843   4.725
  782   HG21  VAL 100          HG21      VAL 100   5.957 -23.473   5.956
  783   HG22  VAL 100          HG22      VAL 100   5.286 -24.209   7.425
  784   HG23  VAL 100          HG23      VAL 100   6.985 -23.779   7.381
  785    H    GLY 101           H        GLY 101   6.235 -26.873   2.953
  786    HA2  GLY 101           HA2      GLY 101   7.182 -28.781   2.169
  787    HA3  GLY 101           HA3      GLY 101   7.029 -29.549   3.757
  788    H    GLN 102           H        GLN 102   3.946 -28.275   2.932
  789    HA   GLN 102           HA       GLN 102   3.021 -30.966   2.155
  790    HB2  GLN 102           HB2      GLN 102   1.521 -28.365   2.703
  791    HB3  GLN 102           HB3      GLN 102   0.775 -29.800   1.996
  792    HG2  GLN 102           HG2      GLN 102   1.616 -31.167   3.903
  793    HG3  GLN 102           HG3      GLN 102   2.180 -29.685   4.692
  794   HE21  GLN 102          HE22      GLN 102   0.736 -29.285   6.434
  795   HE22  GLN 102          HE21      GLN 102  -0.996 -29.448   6.295
  796    H    GLU 103           H        GLU 103   2.117 -31.440   0.205
  797    HA   GLU 103           HA       GLU 103   3.178 -29.846  -2.050
  798    HB2  GLU 103           HB2      GLU 103   1.777 -32.569  -2.008
  799    HB3  GLU 103           HB3      GLU 103   2.459 -31.777  -3.432
  800    HG2  GLU 103           HG2      GLU 103   4.729 -31.892  -2.368
  801    HG3  GLU 103           HG3      GLU 103   4.024 -32.765  -1.010
  802    H    VAL 104           H        VAL 104   1.835 -29.036  -3.674
  803    HA   VAL 104           HA       VAL 104  -1.099 -29.298  -3.327
  804    HB   VAL 104           HB       VAL 104  -1.258 -27.005  -4.192
  805   HG11  VAL 104          HG11      VAL 104  -1.609 -27.498  -1.791
  806   HG12  VAL 104          HG12      VAL 104   0.115 -27.213  -1.477
  807   HG13  VAL 104          HG13      VAL 104  -0.921 -25.881  -2.016
  808   HG21  VAL 104          HG21      VAL 104   0.510 -25.393  -4.010
  809   HG22  VAL 104          HG22      VAL 104   1.643 -26.611  -3.403
  810   HG23  VAL 104          HG23      VAL 104   1.029 -26.694  -5.078
  811    H    LEU 105           H        LEU 105  -2.269 -29.412  -5.279
  812    HA   LEU 105           HA       LEU 105  -0.562 -30.597  -7.372
  813    HB2  LEU 105           HB2      LEU 105  -3.494 -30.848  -6.614
  814    HB3  LEU 105           HB3      LEU 105  -2.916 -31.447  -8.148
  815    HG   LEU 105           HG       LEU 105  -3.085 -33.249  -6.597
  816   HD11  LEU 105          HD11      LEU 105  -0.126 -32.722  -7.096
  817   HD12  LEU 105          HD12      LEU 105  -0.930 -34.286  -6.887
  818   HD13  LEU 105          HD13      LEU 105  -1.280 -33.305  -8.317
  819   HD21  LEU 105          HD21      LEU 105  -0.933 -31.992  -4.853
  820   HD22  LEU 105          HD22      LEU 105  -2.673 -32.006  -4.470
  821   HD23  LEU 105          HD23      LEU 105  -1.778 -33.527  -4.603
  822    H    TYR 106           H        TYR 106  -1.665 -27.560  -7.000
  823    HA   TYR 106           HA       TYR 106  -2.226 -27.144  -9.883
  824    HB2  TYR 106           HB2      TYR 106  -2.624 -24.784  -9.189
  825    HB3  TYR 106           HB3      TYR 106  -3.763 -25.946  -8.550
  826    HD1  TYR 106           HD1      TYR 106  -0.679 -23.995  -7.601
  827    HD2  TYR 106           HD2      TYR 106  -4.220 -26.048  -6.233
  828    HE1  TYR 106           HE1      TYR 106  -0.298 -23.124  -5.314
  829    HE2  TYR 106           HE2      TYR 106  -3.854 -25.173  -3.951
  830    HH   TYR 106           HH       TYR 106  -2.506 -23.865  -2.582
  831    H    LYS 107           H        LYS 107  -0.843 -25.556 -11.044
  832    HA   LYS 107           HA       LYS 107   1.967 -25.683 -10.442
  833    HB2  LYS 107           HB2      LYS 107   1.166 -25.745 -12.693
  834    HB3  LYS 107           HB3      LYS 107   0.068 -24.365 -12.413
  835    HG2  LYS 107           HG2      LYS 107   1.761 -22.842 -12.340
  836    HG3  LYS 107           HG3      LYS 107   3.036 -24.066 -12.157
  837    HD2  LYS 107           HD2      LYS 107   3.139 -23.119 -14.400
  838    HD3  LYS 107           HD3      LYS 107   2.643 -24.815 -14.491
  839    HE2  LYS 107           HE2      LYS 107   0.269 -24.106 -14.737
  840    HE3  LYS 107           HE3      LYS 107   0.755 -22.412 -14.600
  841    HZ1  LYS 107           HZ1      LYS 107   2.024 -22.680 -16.652
  842    HZ2  LYS 107           HZ2      LYS 107   1.576 -24.248 -16.778
  843    HZ3  LYS 107           HZ3      LYS 107   0.463 -23.067 -16.902
  844    H    LEU 108           H        LEU 108   3.123 -23.890  -9.664
  845    HA   LEU 108           HA       LEU 108   1.630 -21.948  -8.061
  846    HB2  LEU 108           HB2      LEU 108   3.621 -21.046  -7.299
  847    HB3  LEU 108           HB3      LEU 108   3.805 -22.783  -7.246
  848    HG   LEU 108           HG       LEU 108   5.073 -20.893  -9.294
  849   HD11  LEU 108          HD11      LEU 108   7.154 -21.410  -8.102
  850   HD12  LEU 108          HD12      LEU 108   5.969 -20.676  -7.013
  851   HD13  LEU 108          HD13      LEU 108   6.251 -22.427  -6.950
  852   HD21  LEU 108          HD21      LEU 108   4.799 -23.086 -10.360
  853   HD22  LEU 108          HD22      LEU 108   6.483 -22.870  -9.911
  854   HD23  LEU 108          HD23      LEU 108   5.447 -23.910  -8.914
  855    H    THR 109           H        THR 109   1.028 -19.949  -8.659
  856    HA   THR 109           HA       THR 109   2.144 -18.585 -11.002
  857    HB   THR 109           HB       THR 109  -0.195 -18.057 -11.758
  858    HG1  THR 109           HG1      THR 109  -1.836 -19.513 -11.010
  859   HG21  THR 109          HG21      THR 109   0.236 -21.073 -11.803
  860   HG22  THR 109          HG22      THR 109  -0.656 -20.082 -12.975
  861   HG23  THR 109          HG23      THR 109   1.107 -19.934 -12.859
  862    H    SER 110           H        SER 110   1.403 -16.219 -10.865
  863    HA   SER 110           HA       SER 110   1.561 -15.058  -8.351
  864    HB2  SER 110           HB2      SER 110  -0.002 -14.103 -10.793
  865    HB3  SER 110           HB3      SER 110   0.563 -13.092  -9.458
  866    HG   SER 110           HG       SER 110   2.639 -13.443 -10.041
  867    H    GLU 111           H        GLU 111  -1.414 -16.072 -10.136
  868    HA   GLU 111           HA       GLU 111  -3.172 -15.056  -8.098
  869    HB2  GLU 111           HB2      GLU 111  -4.938 -16.208  -9.339
  870    HB3  GLU 111           HB3      GLU 111  -3.927 -15.189 -10.364
  871    HG2  GLU 111           HG2      GLU 111  -2.723 -17.217 -11.173
  872    HG3  GLU 111           HG3      GLU 111  -3.782 -18.228 -10.182
  873    H    ASN 112           H        ASN 112  -1.832 -18.355  -8.741
  874    HA   ASN 112           HA       ASN 112  -3.476 -19.523  -6.672
  875    HB2  ASN 112           HB2      ASN 112  -0.983 -20.521  -8.095
  876    HB3  ASN 112           HB3      ASN 112  -1.760 -21.417  -6.800
  877   HD21  ASN 112          HD22      ASN 112  -1.503 -22.182  -9.697
  878   HD22  ASN 112          HD21      ASN 112  -3.149 -22.423 -10.236
  879    H    CYS 113           H        CYS 113  -0.264 -17.935  -6.615
  880    HA   CYS 113           HA       CYS 113   0.256 -18.730  -3.870
  881    HB2  CYS 113           HB2      CYS 113   1.333 -16.316  -5.399
  882    HB3  CYS 113           HB3      CYS 113   1.935 -16.966  -3.862
  883    HG   CYS 113           HG       CYS 113   1.857 -18.339  -6.853
  884    H    GLU 114           H        GLU 114  -1.255 -15.848  -5.440
  885    HA   GLU 114           HA       GLU 114  -1.727 -14.369  -3.096
  886    HB2  GLU 114           HB2      GLU 114  -1.913 -13.712  -5.555
  887    HB3  GLU 114           HB3      GLU 114  -3.522 -14.418  -5.562
  888    HG2  GLU 114           HG2      GLU 114  -4.302 -12.824  -3.924
  889    HG3  GLU 114           HG3      GLU 114  -2.668 -12.267  -3.582
  890    H    HIS 115           H        HIS 115  -3.676 -16.863  -4.711
  891    HA   HIS 115           HA       HIS 115  -5.946 -16.932  -3.043
  892    HB2  HIS 115           HB2      HIS 115  -5.805 -17.968  -5.234
  893    HB3  HIS 115           HB3      HIS 115  -4.503 -19.019  -4.721
  894    HD2  HIS 115           HD2      HIS 115  -7.900 -19.335  -5.604
  895    HE1  HIS 115           HE1      HIS 115  -7.483 -22.299  -2.572
  896    HE2  HIS 115           HE2      HIS 115  -8.956 -21.465  -4.475
  897    H    PHE 116           H        PHE 116  -3.019 -19.107  -2.932
  898    HA   PHE 116           HA       PHE 116  -3.762 -20.456  -0.608
  899    HB2  PHE 116           HB2      PHE 116  -1.947 -21.322  -1.897
  900    HB3  PHE 116           HB3      PHE 116  -1.115 -19.776  -1.932
  901    HD1  PHE 116           HD2      PHE 116  -1.805 -22.761   0.173
  902    HD2  PHE 116           HD1      PHE 116   0.368 -19.047  -0.156
  903    HE1  PHE 116           HE2      PHE 116  -0.440 -23.367   2.145
  904    HE2  PHE 116           HE1      PHE 116   1.652 -19.605   1.886
  905    HZ   PHE 116           HZ       PHE 116   1.268 -21.788   3.030
  906    H    VAL 117           H        VAL 117  -1.642 -17.589  -0.882
  907    HA   VAL 117           HA       VAL 117  -1.111 -17.566   1.871
  908    HB   VAL 117           HB       VAL 117   0.140 -16.534  -0.148
  909   HG11  VAL 117          HG11      VAL 117  -0.090 -14.100  -0.418
  910   HG12  VAL 117          HG12      VAL 117  -1.562 -14.943  -0.909
  911   HG13  VAL 117          HG13      VAL 117  -1.509 -14.099   0.644
  912   HG21  VAL 117          HG21      VAL 117   0.040 -15.354   2.594
  913   HG22  VAL 117          HG22      VAL 117   1.107 -16.614   1.953
  914   HG23  VAL 117          HG23      VAL 117   1.287 -14.946   1.381
  915    H    ASN 118           H        ASN 118  -3.824 -16.095   0.106
  916    HA   ASN 118           HA       ASN 118  -4.676 -14.504   2.380
  917    HB2  ASN 118           HB2      ASN 118  -5.924 -15.208  -0.271
  918    HB3  ASN 118           HB3      ASN 118  -6.945 -14.620   1.048
  919   HD21  ASN 118          HD22      ASN 118  -4.110 -13.781  -0.952
  920   HD22  ASN 118          HD21      ASN 118  -4.043 -12.091  -0.456
  921    H    GLU 119           H        GLU 119  -5.205 -17.893   1.401
  922    HA   GLU 119           HA       GLU 119  -7.192 -18.532   3.238
  923    HB2  GLU 119           HB2      GLU 119  -5.726 -19.965   1.473
  924    HB3  GLU 119           HB3      GLU 119  -4.829 -20.369   2.954
  925    HG2  GLU 119           HG2      GLU 119  -7.228 -20.818   3.931
  926    HG3  GLU 119           HG3      GLU 119  -7.700 -20.844   2.226
  927    H    LEU 120           H        LEU 120  -3.783 -17.711   3.820
  928    HA   LEU 120           HA       LEU 120  -3.811 -18.709   6.535
  929    HB2  LEU 120           HB2      LEU 120  -1.785 -16.807   5.328
  930    HB3  LEU 120           HB3      LEU 120  -1.571 -17.903   6.694
  931    HG   LEU 120           HG       LEU 120  -1.955 -18.734   3.781
  932   HD11  LEU 120          HD11      LEU 120   0.488 -18.673   5.578
  933   HD12  LEU 120          HD12      LEU 120   0.422 -19.465   3.999
  934   HD13  LEU 120          HD13      LEU 120   0.189 -17.717   4.100
  935   HD21  LEU 120          HD21      LEU 120  -1.363 -20.980   4.522
  936   HD22  LEU 120          HD22      LEU 120  -1.289 -20.434   6.217
  937   HD23  LEU 120          HD23      LEU 120  -2.839 -20.456   5.329
  938    H    ARG 121           H        ARG 121  -3.910 -15.449   4.975
  939    HA   ARG 121           HA       ARG 121  -4.035 -14.119   7.548
  940    HB2  ARG 121           HB2      ARG 121  -3.080 -13.078   5.509
  941    HB3  ARG 121           HB3      ARG 121  -4.671 -13.059   4.756
  942    HG2  ARG 121           HG2      ARG 121  -4.006 -10.847   5.586
  943    HG3  ARG 121           HG3      ARG 121  -5.471 -11.405   6.393
  944    HD2  ARG 121           HD2      ARG 121  -4.209 -11.988   8.396
  945    HD3  ARG 121           HD3      ARG 121  -2.678 -11.652   7.568
  946    HE   ARG 121           HE       ARG 121  -4.771  -9.588   8.202
  947   HH11  ARG 121          HH21      ARG 121  -1.307 -10.522   8.209
  948   HH12  ARG 121          HH22      ARG 121  -0.773  -8.931   8.665
  949   HH21  ARG 121          HH11      ARG 121  -4.001  -7.523   8.968
  950   HH22  ARG 121          HH12      ARG 121  -2.309  -7.325   9.248
  951    H    TYR 122           H        TYR 122  -6.537 -15.332   5.351
  952    HA   TYR 122           HA       TYR 122  -8.617 -14.125   7.122
  953    HB2  TYR 122           HB2      TYR 122  -8.255 -12.906   5.023
  954    HB3  TYR 122           HB3      TYR 122  -8.506 -14.373   4.093
  955    HD1  TYR 122           HD2      TYR 122 -10.176 -11.760   6.156
  956    HD2  TYR 122           HD1      TYR 122 -10.725 -15.140   3.540
  957    HE1  TYR 122           HE2      TYR 122 -12.594 -11.238   5.984
  958    HE2  TYR 122           HE1      TYR 122 -13.132 -14.613   3.342
  959    HH   TYR 122           HH       TYR 122 -14.641 -11.834   5.057
  960    H    GLY 123           H        GLY 123  -7.439 -17.158   6.113
  961    HA2  GLY 123           HA2      GLY 123  -8.313 -19.151   6.913
  962    HA3  GLY 123           HA3      GLY 123  -9.895 -18.403   7.152
  963    H    VAL 124           H        VAL 124  -9.413 -17.330   4.173
  964    HA   VAL 124           HA       VAL 124  -9.528 -19.714   2.555
  965    HB   VAL 124           HB       VAL 124 -11.829 -19.621   3.401
  966   HG11  VAL 124          HG11      VAL 124 -12.068 -16.874   2.123
  967   HG12  VAL 124          HG12      VAL 124 -13.388 -17.832   2.820
  968   HG13  VAL 124          HG13      VAL 124 -12.100 -17.231   3.867
  969   HG21  VAL 124          HG21      VAL 124 -13.012 -19.775   1.315
  970   HG22  VAL 124          HG22      VAL 124 -11.755 -18.858   0.467
  971   HG23  VAL 124          HG23      VAL 124 -11.397 -20.472   1.128
  972    H    ALA 125           H        ALA 125  -9.119 -19.112   0.313
  973    HA   ALA 125           HA       ALA 125  -7.692 -16.800  -0.284
  974    HB1  ALA 125           HB1      ALA 125  -9.472 -18.475  -2.108
  975    HB2  ALA 125           HB2      ALA 125  -8.221 -17.338  -2.638
  976    HB3  ALA 125           HB3      ALA 125  -7.764 -18.787  -1.714
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1   1.048   0.614  -3.927
    2    H2   MET   1           H2       MET   1   0.541   1.947  -3.108
    3    H3   MET   1           H3       MET   1   1.222   2.094  -4.592
    4    HA   MET   1           HA       MET   1   2.793   2.755  -2.941
    5    HB2  MET   1           HB2      MET   1   1.803   1.300  -1.135
    6    HB3  MET   1           HB3      MET   1   2.551  -0.104  -1.894
    7    HG2  MET   1           HG2      MET   1   3.852   0.740   0.019
    8    HG3  MET   1           HG3      MET   1   4.776   0.795  -1.466
    9    HE1  MET   1           HE1      MET   1   3.219   4.459   0.899
   10    HE2  MET   1           HE2      MET   1   2.082   3.324   0.146
   11    HE3  MET   1           HE3      MET   1   3.161   2.771   1.447
   12    H    ARG   2           H        ARG   2   5.059   2.446  -3.355
   13    HA   ARG   2           HA       ARG   2   5.942   0.124  -4.870
   14    HB2  ARG   2           HB2      ARG   2   6.282   2.991  -5.905
   15    HB3  ARG   2           HB3      ARG   2   7.250   1.637  -6.465
   16    HG2  ARG   2           HG2      ARG   2   4.237   1.900  -6.827
   17    HG3  ARG   2           HG3      ARG   2   5.469   2.225  -8.041
   18    HD2  ARG   2           HD2      ARG   2   6.232  -0.133  -7.928
   19    HD3  ARG   2           HD3      ARG   2   4.968  -0.498  -6.755
   20    HE   ARG   2           HE       ARG   2   4.691   0.007  -9.638
   21   HH11  ARG   2          HH21      ARG   2   2.921  -0.323  -6.566
   22   HH12  ARG   2          HH22      ARG   2   1.458  -0.864  -7.319
   23   HH21  ARG   2          HH11      ARG   2   2.727  -0.647 -10.626
   24   HH22  ARG   2          HH12      ARG   2   1.339  -1.005  -9.674
   25    H    ALA   3           H        ALA   3   8.162  -0.182  -4.546
   26    HA   ALA   3           HA       ALA   3   9.905  -0.372  -3.096
   27    HB1  ALA   3           HB1      ALA   3  10.665   0.910  -5.040
   28    HB2  ALA   3           HB2      ALA   3  10.285   2.431  -4.202
   29    HB3  ALA   3           HB3      ALA   3  11.562   1.362  -3.579
   30    HA   PRO   4           HA       PRO   4   8.328   2.107   0.564
   31    HB2  PRO   4           HB2      PRO   4   7.325   0.116   2.130
   32    HB3  PRO   4           HB3      PRO   4   6.387   0.819   0.780
   33    HG2  PRO   4           HG2      PRO   4   8.048  -1.725   0.766
   34    HG3  PRO   4           HG3      PRO   4   6.359  -1.500   0.208
   35    HD2  PRO   4           HD2      PRO   4   8.503  -1.413  -1.504
   36    HD3  PRO   4           HD3      PRO   4   7.049  -0.399  -1.739
   37    H    ILE   5           H        ILE   5   9.026   1.728   2.898
   38    HA   ILE   5           HA       ILE   5  11.335  -0.095   3.259
   39    HB   ILE   5           HB       ILE   5  11.264   2.751   4.337
   40   HG12  ILE   5          HG12      ILE   5  12.968   1.578   2.091
   41   HG13  ILE   5          HG13      ILE   5  11.700   2.793   1.910
   42   HG21  ILE   5          HG21      ILE   5  13.471   0.633   4.420
   43   HG22  ILE   5          HG22      ILE   5  13.498   2.232   5.198
   44   HG23  ILE   5          HG23      ILE   5  12.388   1.001   5.777
   45   HD11  ILE   5          HD11      ILE   5  14.362   3.183   3.310
   46   HD12  ILE   5          HD12      ILE   5  13.789   3.927   1.813
   47   HD13  ILE   5          HD13      ILE   5  13.021   4.357   3.355
   48    HA   PRO   6           HA       PRO   6   7.670  -0.461   6.076
   49    HB2  PRO   6           HB2      PRO   6   7.013  -3.049   5.674
   50    HB3  PRO   6           HB3      PRO   6   6.692  -1.820   4.417
   51    HG2  PRO   6           HG2      PRO   6   8.868  -3.892   4.490
   52    HG3  PRO   6           HG3      PRO   6   7.985  -3.220   3.087
   53    HD2  PRO   6           HD2      PRO   6  10.505  -2.386   4.241
   54    HD3  PRO   6           HD3      PRO   6   9.663  -1.654   2.825
   55    H    GLU   7           H        GLU   7   7.347  -2.113   7.941
   56    HA   GLU   7           HA       GLU   7   9.801  -3.548   8.762
   57    HB2  GLU   7           HB2      GLU   7   8.300  -1.589  10.541
   58    HB3  GLU   7           HB3      GLU   7   9.486  -2.786  11.098
   59    HG2  GLU   7           HG2      GLU   7  11.188  -1.754   9.554
   60    HG3  GLU   7           HG3      GLU   7  10.026  -0.506   9.134
   61    HA   PRO   8           HA       PRO   8   5.781  -5.763   8.242
   62    HB2  PRO   8           HB2      PRO   8   7.656  -8.084   7.923
   63    HB3  PRO   8           HB3      PRO   8   6.233  -7.645   6.940
   64    HG2  PRO   8           HG2      PRO   8   8.800  -7.221   6.080
   65    HG3  PRO   8           HG3      PRO   8   7.502  -6.050   5.719
   66    HD2  PRO   8           HD2      PRO   8   9.635  -5.885   7.821
   67    HD3  PRO   8           HD3      PRO   8   8.952  -4.603   6.784
   68    H    LYS   9           H        LYS   9   4.631  -7.215   9.618
   69    HA   LYS   9           HA       LYS   9   6.053  -8.053  12.114
   70    HB2  LYS   9           HB2      LYS   9   3.079  -7.529  11.808
   71    HB3  LYS   9           HB3      LYS   9   3.960  -7.903  13.286
   72    HG2  LYS   9           HG2      LYS   9   4.122  -5.342  11.646
   73    HG3  LYS   9           HG3      LYS   9   3.358  -5.549  13.220
   74    HD2  LYS   9           HD2      LYS   9   5.590  -6.080  14.219
   75    HD3  LYS   9           HD3      LYS   9   6.355  -5.760  12.659
   76    HE2  LYS   9           HE2      LYS   9   4.787  -3.762  14.345
   77    HE3  LYS   9           HE3      LYS   9   6.541  -3.838  14.166
   78    HZ1  LYS   9           HZ1      LYS   9   6.180  -3.413  11.745
   79    HZ2  LYS   9           HZ2      LYS   9   4.597  -3.140  12.053
   80    HZ3  LYS   9           HZ3      LYS   9   5.722  -2.169  12.716
   81    HA   PRO  10           HA       PRO  10   5.305 -12.219  10.665
   82    HB2  PRO  10           HB2      PRO  10   4.753 -12.700  13.603
   83    HB3  PRO  10           HB3      PRO  10   5.697 -13.710  12.456
   84    HG2  PRO  10           HG2      PRO  10   6.972 -12.049  14.166
   85    HG3  PRO  10           HG3      PRO  10   7.491 -12.092  12.447
   86    HD2  PRO  10           HD2      PRO  10   5.724 -10.070  13.827
   87    HD3  PRO  10           HD3      PRO  10   7.053  -9.822  12.650
   88    H    GLY  11           H        GLY  11   3.487 -13.218   9.812
   89    HA2  GLY  11           HA2      GLY  11   1.203 -13.862   9.829
   90    HA3  GLY  11           HA3      GLY  11   0.802 -12.470  10.845
   91    H    ASP  12           H        ASP  12   2.800 -10.791   9.028
   92    HA   ASP  12           HA       ASP  12   0.725  -9.672   7.438
   93    HB2  ASP  12           HB2      ASP  12   3.736  -9.287   7.548
   94    HB3  ASP  12           HB3      ASP  12   2.797  -8.533   6.279
   95    H    LEU  13           H        LEU  13   0.305  -9.637   5.262
   96    HA   LEU  13           HA       LEU  13   1.308 -11.854   3.586
   97    HB2  LEU  13           HB2      LEU  13  -0.505  -9.452   3.064
   98    HB3  LEU  13           HB3      LEU  13   0.126 -10.457   1.779
   99    HG   LEU  13           HG       LEU  13  -1.994 -11.192   3.790
  100   HD11  LEU  13          HD11      LEU  13  -1.815 -11.519   0.786
  101   HD12  LEU  13          HD12      LEU  13  -3.233 -11.763   1.835
  102   HD13  LEU  13          HD13      LEU  13  -2.563 -10.138   1.604
  103   HD21  LEU  13          HD21      LEU  13  -0.219 -13.046   2.188
  104   HD22  LEU  13          HD22      LEU  13  -0.552 -13.098   3.935
  105   HD23  LEU  13          HD23      LEU  13  -1.832 -13.506   2.790
  106    H    ILE  14           H        ILE  14   2.847 -11.662   2.037
  107    HA   ILE  14           HA       ILE  14   4.202  -9.030   1.677
  108    HB   ILE  14           HB       ILE  14   5.347 -11.855   1.779
  109   HG12  ILE  14          HG12      ILE  14   4.854 -11.085   4.027
  110   HG13  ILE  14          HG13      ILE  14   6.580 -11.221   3.752
  111   HG21  ILE  14          HG21      ILE  14   6.591 -10.639   0.136
  112   HG22  ILE  14          HG22      ILE  14   6.679  -9.207   1.162
  113   HG23  ILE  14          HG23      ILE  14   7.583 -10.681   1.597
  114   HD11  ILE  14          HD11      ILE  14   6.054  -9.224   5.070
  115   HD12  ILE  14          HD12      ILE  14   6.764  -8.754   3.518
  116   HD13  ILE  14          HD13      ILE  14   5.010  -8.607   3.783
  117    H    GLU  15           H        GLU  15   4.303  -8.404  -0.407
  118    HA   GLU  15           HA       GLU  15   3.822 -10.449  -2.520
  119    HB2  GLU  15           HB2      GLU  15   3.215  -8.763  -4.058
  120    HB3  GLU  15           HB3      GLU  15   2.154  -8.611  -2.656
  121    HG2  GLU  15           HG2      GLU  15   3.396  -6.674  -1.863
  122    HG3  GLU  15           HG3      GLU  15   4.638  -6.908  -3.107
  123    H    ILE  16           H        ILE  16   5.357 -10.391  -4.137
  124    HA   ILE  16           HA       ILE  16   8.054  -9.310  -3.483
  125    HB   ILE  16           HB       ILE  16   7.154 -11.956  -4.689
  126   HG12  ILE  16          HG12      ILE  16   6.790 -11.968  -2.259
  127   HG13  ILE  16          HG13      ILE  16   7.939 -13.156  -2.819
  128   HG21  ILE  16          HG21      ILE  16   9.197 -11.259  -5.765
  129   HG22  ILE  16          HG22      ILE  16   9.972 -10.929  -4.208
  130   HG23  ILE  16          HG23      ILE  16   9.559 -12.596  -4.678
  131   HD11  ILE  16          HD11      ILE  16   8.667 -10.517  -1.496
  132   HD12  ILE  16          HD12      ILE  16   8.674 -12.114  -0.723
  133   HD13  ILE  16          HD13      ILE  16   9.822 -11.762  -2.024
  134    H    PHE  17           H        PHE  17   8.478  -7.821  -5.094
  135    HA   PHE  17           HA       PHE  17   6.869  -7.724  -7.535
  136    HB2  PHE  17           HB2      PHE  17   8.647  -5.985  -6.128
  137    HB3  PHE  17           HB3      PHE  17   9.370  -6.258  -7.701
  138    HD1  PHE  17           HD2      PHE  17   6.343  -5.005  -5.911
  139    HD2  PHE  17           HD1      PHE  17   8.345  -5.392  -9.725
  140    HE1  PHE  17           HE2      PHE  17   4.764  -3.377  -6.919
  141    HE2  PHE  17           HE1      PHE  17   6.755  -3.763 -10.719
  142    HZ   PHE  17           HZ       PHE  17   4.963  -2.760  -9.319
  143    H    ARG  18           H        ARG  18   7.323  -8.799  -9.473
  144    HA   ARG  18           HA       ARG  18   9.901 -10.287  -9.633
  145    HB2  ARG  18           HB2      ARG  18   7.157 -10.789 -10.874
  146    HB3  ARG  18           HB3      ARG  18   8.563 -11.771 -11.201
  147    HG2  ARG  18           HG2      ARG  18   7.438 -11.421  -8.393
  148    HG3  ARG  18           HG3      ARG  18   6.903 -12.694  -9.461
  149    HD2  ARG  18           HD2      ARG  18   9.806 -12.252  -8.802
  150    HD3  ARG  18           HD3      ARG  18   8.736 -13.245  -7.787
  151    HE   ARG  18           HE       ARG  18   8.569 -14.121 -10.493
  152   HH11  ARG  18          HH11      ARG  18  11.026 -14.101  -7.883
  153   HH12  ARG  18          HH12      ARG  18  11.689 -15.619  -8.360
  154   HH21  ARG  18          HH21      ARG  18   9.508 -16.039 -11.139
  155   HH22  ARG  18          HH22      ARG  18  10.833 -16.742 -10.276
  156    HA   PRO  19           HA       PRO  19  11.398  -8.003 -12.885
  157    HB2  PRO  19           HB2      PRO  19  11.010 -10.271 -14.853
  158    HB3  PRO  19           HB3      PRO  19  12.439  -9.207 -14.636
  159    HG2  PRO  19           HG2      PRO  19  12.434 -11.656 -13.503
  160    HG3  PRO  19           HG3      PRO  19  12.980 -10.245 -12.537
  161    HD2  PRO  19           HD2      PRO  19  10.303 -11.636 -12.499
  162    HD3  PRO  19           HD3      PRO  19  11.283 -11.068 -11.117
  163    H    PHE  20           H        PHE  20   8.333  -9.513 -13.857
  164    HA   PHE  20           HA       PHE  20   7.499  -6.918 -14.971
  165    HB2  PHE  20           HB2      PHE  20   8.482  -8.421 -16.817
  166    HB3  PHE  20           HB3      PHE  20   7.114  -9.486 -16.558
  167    HD1  PHE  20           HD1      PHE  20   7.910  -5.851 -17.213
  168    HD2  PHE  20           HD2      PHE  20   5.221  -9.145 -17.960
  169    HE1  PHE  20           HE1      PHE  20   6.634  -4.451 -18.816
  170    HE2  PHE  20           HE2      PHE  20   3.954  -7.741 -19.566
  171    HZ   PHE  20           HZ       PHE  20   4.653  -5.392 -19.995
  172    H    TYR  21           H        TYR  21   6.831  -8.803 -12.551
  173    HA   TYR  21           HA       TYR  21   3.943  -8.735 -12.711
  174    HB2  TYR  21           HB2      TYR  21   3.561 -11.142 -12.597
  175    HB3  TYR  21           HB3      TYR  21   4.279 -10.677 -14.107
  176    HD1  TYR  21           HD2      TYR  21   6.734 -11.207 -14.580
  177    HD2  TYR  21           HD1      TYR  21   4.651 -12.718 -11.147
  178    HE1  TYR  21           HE2      TYR  21   8.403 -13.027 -14.375
  179    HE2  TYR  21           HE1      TYR  21   6.242 -14.578 -10.946
  180    HH   TYR  21           HH       TYR  21   9.027 -14.945 -13.220
  181    H    ARG  22           H        ARG  22   3.738 -10.921 -10.577
  182    HA   ARG  22           HA       ARG  22   5.488  -9.966  -8.494
  183    HB2  ARG  22           HB2      ARG  22   3.589  -9.531  -6.887
  184    HB3  ARG  22           HB3      ARG  22   3.947  -8.287  -8.063
  185    HG2  ARG  22           HG2      ARG  22   1.552  -8.527  -7.657
  186    HG3  ARG  22           HG3      ARG  22   1.955  -8.796  -9.353
  187    HD2  ARG  22           HD2      ARG  22   1.661 -11.155  -9.150
  188    HD3  ARG  22           HD3      ARG  22   1.629 -11.087  -7.389
  189    HE   ARG  22           HE       ARG  22  -0.560 -10.054  -7.474
  190   HH11  ARG  22          HH21      ARG  22   0.364 -11.077 -10.779
  191   HH12  ARG  22          HH22      ARG  22  -1.207 -11.818 -11.049
  192   HH21  ARG  22          HH11      ARG  22  -2.550 -11.137  -7.940
  193   HH22  ARG  22          HH12      ARG  22  -2.805 -11.728  -9.590
  194    H    HIS  23           H        HIS  23   5.346 -11.331  -6.601
  195    HA   HIS  23           HA       HIS  23   4.016 -13.952  -6.984
  196    HB2  HIS  23           HB2      HIS  23   6.344 -14.281  -7.614
  197    HB3  HIS  23           HB3      HIS  23   6.908 -13.483  -6.149
  198    HD2  HIS  23           HD2      HIS  23   8.016 -15.366  -4.746
  199    HE1  HIS  23           HE1      HIS  23   4.929 -18.287  -4.910
  200    HE2  HIS  23           HE2      HIS  23   7.174 -17.694  -3.879
  201    H    TRP  24           H        TRP  24   4.010 -15.011  -4.608
  202    HA   TRP  24           HA       TRP  24   3.517 -12.850  -2.605
  203    HB2  TRP  24           HB2      TRP  24   1.607 -14.984  -3.594
  204    HB3  TRP  24           HB3      TRP  24   1.423 -14.187  -2.050
  205    HD1  TRP  24           HD1      TRP  24   0.974 -13.564  -5.755
  206    HE1  TRP  24           HE1      TRP  24  -0.555 -11.516  -6.000
  207    HE3  TRP  24           HE3      TRP  24   1.083 -11.893  -0.971
  208    HZ2  TRP  24           HZ2      TRP  24  -1.356  -9.231  -4.404
  209    HZ3  TRP  24           HZ3      TRP  24  -0.111  -9.781  -0.321
  210    HH2  TRP  24           HH2      TRP  24  -1.353  -8.485  -2.023
  211    H    ALA  25           H        ALA  25   3.660 -13.402  -0.496
  212    HA   ALA  25           HA       ALA  25   4.320 -16.120   0.379
  213    HB1  ALA  25           HB1      ALA  25   6.216 -13.740   0.756
  214    HB2  ALA  25           HB2      ALA  25   6.433 -15.395   1.364
  215    HB3  ALA  25           HB3      ALA  25   6.498 -15.083  -0.372
  216    H    ILE  26           H        ILE  26   4.560 -16.017   2.880
  217    HA   ILE  26           HA       ILE  26   3.120 -13.714   4.078
  218    HB   ILE  26           HB       ILE  26   1.717 -15.770   3.607
  219   HG12  ILE  26          HG12      ILE  26   1.872 -14.978   6.550
  220   HG13  ILE  26          HG13      ILE  26   1.215 -13.948   5.269
  221   HG21  ILE  26          HG21      ILE  26   3.365 -17.510   4.194
  222   HG22  ILE  26          HG22      ILE  26   3.199 -17.071   5.908
  223   HG23  ILE  26          HG23      ILE  26   1.822 -17.723   5.001
  224   HD11  ILE  26          HD11      ILE  26  -0.666 -15.081   6.177
  225   HD12  ILE  26          HD12      ILE  26  -0.324 -15.860   4.615
  226   HD13  ILE  26          HD13      ILE  26   0.165 -16.656   6.126
  227    H    TYR  27           H        TYR  27   4.051 -12.969   5.953
  228    HA   TYR  27           HA       TYR  27   6.785 -13.867   6.486
  229    HB2  TYR  27           HB2      TYR  27   5.845 -11.461   6.249
  230    HB3  TYR  27           HB3      TYR  27   5.139 -11.688   7.830
  231    HD1  TYR  27           HD1      TYR  27   8.526 -12.297   6.210
  232    HD2  TYR  27           HD2      TYR  27   6.322 -10.506   9.416
  233    HE1  TYR  27           HE1      TYR  27  10.612 -11.281   7.053
  234    HE2  TYR  27           HE2      TYR  27   8.406  -9.520  10.329
  235    HH   TYR  27           HH       TYR  27  10.680  -9.168   9.965
  236    H    VAL  28           H        VAL  28   7.407 -15.043   8.272
  237    HA   VAL  28           HA       VAL  28   5.250 -15.831  10.204
  238    HB   VAL  28           HB       VAL  28   6.062 -18.136  10.067
  239   HG11  VAL  28          HG11      VAL  28   5.263 -17.087   7.329
  240   HG12  VAL  28          HG12      VAL  28   5.051 -18.723   7.970
  241   HG13  VAL  28          HG13      VAL  28   4.146 -17.374   8.682
  242   HG21  VAL  28          HG21      VAL  28   7.568 -18.922   8.384
  243   HG22  VAL  28          HG22      VAL  28   7.707 -17.318   7.638
  244   HG23  VAL  28          HG23      VAL  28   8.404 -17.627   9.243
  245    H    GLY  29           H        GLY  29   8.236 -14.373  10.094
  246    HA2  GLY  29           HA2      GLY  29   8.679 -14.618  12.905
  247    HA3  GLY  29           HA3      GLY  29   9.864 -15.574  11.982
  248    H    ASP  30           H        ASP  30  11.191 -13.694  13.115
  249    HA   ASP  30           HA       ASP  30  10.971 -11.073  11.926
  250    HB2  ASP  30           HB2      ASP  30  11.617 -11.462  14.276
  251    HB3  ASP  30           HB3      ASP  30  13.097 -12.263  13.745
  252    H    GLY  31           H        GLY  31  11.237 -12.717   9.803
  253    HA2  GLY  31           HA2      GLY  31  12.949 -11.609   8.120
  254    HA3  GLY  31           HA3      GLY  31  14.016 -12.838   8.824
  255    H    TYR  32           H        TYR  32  11.780 -14.835   9.159
  256    HA   TYR  32           HA       TYR  32  12.125 -15.924   6.467
  257    HB2  TYR  32           HB2      TYR  32  11.041 -17.076   9.053
  258    HB3  TYR  32           HB3      TYR  32  11.007 -17.947   7.526
  259    HD1  TYR  32           HD2      TYR  32  13.063 -18.662   6.372
  260    HD2  TYR  32           HD1      TYR  32  13.208 -16.716  10.225
  261    HE1  TYR  32           HE2      TYR  32  15.418 -19.363   6.628
  262    HE2  TYR  32           HE1      TYR  32  15.569 -17.414  10.489
  263    HH   TYR  32           HH       TYR  32  17.313 -19.324   7.990
  264    H    VAL  33           H        VAL  33  10.534 -16.770   5.150
  265    HA   VAL  33           HA       VAL  33   7.741 -15.930   5.631
  266    HB   VAL  33           HB       VAL  33   7.576 -15.651   3.132
  267   HG11  VAL  33          HG11      VAL  33   7.501 -13.687   4.478
  268   HG12  VAL  33          HG12      VAL  33   9.277 -13.658   4.623
  269   HG13  VAL  33          HG13      VAL  33   8.484 -13.348   3.058
  270   HG21  VAL  33          HG21      VAL  33   9.546 -15.090   1.806
  271   HG22  VAL  33          HG22      VAL  33  10.610 -15.399   3.192
  272   HG23  VAL  33          HG23      VAL  33   9.710 -16.731   2.444
  273    H    VAL  34           H        VAL  34   6.206 -17.289   4.622
  274    HA   VAL  34           HA       VAL  34   7.157 -19.934   3.657
  275    HB   VAL  34           HB       VAL  34   4.732 -19.064   5.263
  276   HG11  VAL  34          HG11      VAL  34   3.734 -20.385   3.509
  277   HG12  VAL  34          HG12      VAL  34   4.998 -21.639   3.672
  278   HG13  VAL  34          HG13      VAL  34   3.813 -21.374   4.971
  279   HG21  VAL  34          HG21      VAL  34   6.766 -21.297   5.585
  280   HG22  VAL  34          HG22      VAL  34   6.767 -19.749   6.449
  281   HG23  VAL  34          HG23      VAL  34   5.459 -20.915   6.725
  282    H    HIS  35           H        HIS  35   6.400 -20.513   1.603
  283    HA   HIS  35           HA       HIS  35   4.362 -18.940   0.267
  284    HB2  HIS  35           HB2      HIS  35   5.675 -17.926  -1.417
  285    HB3  HIS  35           HB3      HIS  35   6.410 -17.466   0.104
  286    HD2  HIS  35           HD2      HIS  35   8.331 -20.156   0.427
  287    HE1  HIS  35           HE1      HIS  35  10.083 -18.682  -3.160
  288    HE2  HIS  35           HE2      HIS  35  10.444 -20.191  -1.173
  289    H    LEU  36           H        LEU  36   4.280 -19.661  -2.168
  290    HA   LEU  36           HA       LEU  36   4.597 -22.601  -2.243
  291    HB2  LEU  36           HB2      LEU  36   3.181 -20.558  -3.999
  292    HB3  LEU  36           HB3      LEU  36   3.604 -22.141  -4.625
  293    HG   LEU  36           HG       LEU  36   1.312 -22.121  -3.947
  294   HD11  LEU  36          HD11      LEU  36   1.252 -24.091  -2.506
  295   HD12  LEU  36          HD12      LEU  36   2.556 -24.255  -3.700
  296   HD13  LEU  36          HD13      LEU  36   2.920 -23.848  -2.011
  297   HD21  LEU  36          HD21      LEU  36   0.593 -21.916  -1.678
  298   HD22  LEU  36          HD22      LEU  36   2.232 -21.601  -1.096
  299   HD23  LEU  36          HD23      LEU  36   1.421 -20.423  -2.162
  300    H    ALA  37           H        ALA  37   6.061 -23.620  -3.482
  301    HA   ALA  37           HA       ALA  37   7.831 -22.145  -5.314
  302    HB1  ALA  37           HB1      ALA  37   9.837 -22.900  -4.127
  303    HB2  ALA  37           HB2      ALA  37   8.814 -22.050  -2.968
  304    HB3  ALA  37           HB3      ALA  37   8.852 -23.829  -2.984
  305    HA   PRO  38           HA       PRO  38   7.708 -25.878  -7.648
  306    HB2  PRO  38           HB2      PRO  38  10.698 -26.252  -7.343
  307    HB3  PRO  38           HB3      PRO  38   9.704 -26.336  -8.829
  308    HG2  PRO  38           HG2      PRO  38  11.149 -24.109  -8.288
  309    HG3  PRO  38           HG3      PRO  38   9.463 -23.949  -8.881
  310    HD2  PRO  38           HD2      PRO  38  10.487 -23.772  -6.044
  311    HD3  PRO  38           HD3      PRO  38   9.323 -22.703  -6.887
  312    HA   PRO  39           HA       PRO  39   7.961 -29.336  -4.755
  313    HB2  PRO  39           HB2      PRO  39   7.616 -31.493  -6.405
  314    HB3  PRO  39           HB3      PRO  39   6.284 -30.357  -6.032
  315    HG2  PRO  39           HG2      PRO  39   8.093 -30.359  -8.468
  316    HG3  PRO  39           HG3      PRO  39   6.311 -30.246  -8.423
  317    HD2  PRO  39           HD2      PRO  39   7.911 -28.040  -8.626
  318    HD3  PRO  39           HD3      PRO  39   6.376 -28.000  -7.709
  319    H    SER  40           H        SER  40   9.952 -29.119  -7.675
  320    HA   SER  40           HA       SER  40  11.858 -31.115  -7.137
  321    HB2  SER  40           HB2      SER  40  12.352 -28.575  -8.703
  322    HB3  SER  40           HB3      SER  40  12.898 -30.223  -9.062
  323    HG   SER  40           HG       SER  40  10.779 -30.756  -9.618
  324    H    GLU  41           H        GLU  41  14.249 -30.609  -6.868
  325    HA   GLU  41           HA       GLU  41  14.966 -28.232  -5.347
  326    HB2  GLU  41           HB2      GLU  41  15.299 -31.075  -4.280
  327    HB3  GLU  41           HB3      GLU  41  16.228 -29.706  -3.691
  328    HG2  GLU  41           HG2      GLU  41  13.215 -30.075  -3.475
  329    HG3  GLU  41           HG3      GLU  41  14.392 -30.261  -2.185
  330    H    VAL  42           H        VAL  42  17.305 -27.966  -5.428
  331    HA   VAL  42           HA       VAL  42  18.484 -29.070  -7.849
  332    HB   VAL  42           HB       VAL  42  20.382 -27.567  -7.241
  333   HG11  VAL  42          HG11      VAL  42  18.521 -26.801  -8.669
  334   HG12  VAL  42          HG12      VAL  42  17.650 -26.207  -7.238
  335   HG13  VAL  42          HG13      VAL  42  19.201 -25.480  -7.704
  336   HG21  VAL  42          HG21      VAL  42  18.636 -26.610  -4.920
  337   HG22  VAL  42          HG22      VAL  42  20.122 -27.573  -4.753
  338   HG23  VAL  42          HG23      VAL  42  20.193 -25.946  -5.441
  339    H    ALA  43           H        ALA  43  20.878 -29.670  -7.653
  340    HA   ALA  43           HA       ALA  43  21.322 -32.127  -6.419
  341    HB1  ALA  43           HB1      ALA  43  23.719 -31.638  -6.835
  342    HB2  ALA  43           HB2      ALA  43  22.701 -31.256  -8.237
  343    HB3  ALA  43           HB3      ALA  43  23.302 -29.947  -7.192
  344    H    GLY  44           H        GLY  44  21.301 -32.626  -4.336
  345    HA2  GLY  44           HA2      GLY  44  22.632 -32.127  -2.165
  346    HA3  GLY  44           HA3      GLY  44  21.810 -30.557  -2.264
  347    H    ALA  45           H        ALA  45  19.310 -31.408  -3.322
  348    HA   ALA  45           HA       ALA  45  18.252 -33.465  -1.456
  349    HB1  ALA  45           HB1      ALA  45  16.356 -31.982  -0.865
  350    HB2  ALA  45           HB2      ALA  45  17.905 -31.311  -0.329
  351    HB3  ALA  45           HB3      ALA  45  17.111 -30.656  -1.775
  352    H    GLY  46           H        GLY  46  18.550 -32.411  -4.606
  353    HA2  GLY  46           HA2      GLY  46  16.667 -34.317  -5.652
  354    HA3  GLY  46           HA3      GLY  46  16.192 -32.634  -5.950
  355    H    ALA  47           H        ALA  47  16.738 -32.545  -8.182
  356    HA   ALA  47           HA       ALA  47  19.612 -32.536  -8.815
  357    HB1  ALA  47           HB1      ALA  47  18.889 -34.874  -9.248
  358    HB2  ALA  47           HB2      ALA  47  17.632 -34.273 -10.356
  359    HB3  ALA  47           HB3      ALA  47  19.352 -34.043 -10.740
  360    H    ALA  48           H        ALA  48  16.710 -30.834  -9.049
  361    HA   ALA  48           HA       ALA  48  17.681 -29.230 -11.260
  362    HB1  ALA  48           HB1      ALA  48  15.078 -30.801 -11.614
  363    HB2  ALA  48           HB2      ALA  48  15.688 -29.535 -12.698
  364    HB3  ALA  48           HB3      ALA  48  16.573 -31.060 -12.544
  365    H    SER  49           H        SER  49  16.754 -27.164 -11.215
  366    HA   SER  49           HA       SER  49  15.484 -26.277  -8.877
  367    HB2  SER  49           HB2      SER  49  15.392 -24.933 -11.602
  368    HB3  SER  49           HB3      SER  49  15.369 -24.153 -10.013
  369    HG   SER  49           HG       SER  49  17.506 -24.736  -9.720
  370    H    VAL  50           H        VAL  50  14.066 -27.439 -11.932
  371    HA   VAL  50           HA       VAL  50  11.393 -27.493 -10.746
  372    HB   VAL  50           HB       VAL  50  10.410 -26.531 -12.851
  373   HG11  VAL  50          HG11      VAL  50  10.517 -25.201 -10.781
  374   HG12  VAL  50          HG12      VAL  50  12.066 -24.503 -11.307
  375   HG13  VAL  50          HG13      VAL  50  10.587 -24.203 -12.238
  376   HG21  VAL  50          HG21      VAL  50  12.380 -26.660 -14.357
  377   HG22  VAL  50          HG22      VAL  50  11.707 -25.031 -14.278
  378   HG23  VAL  50          HG23      VAL  50  13.197 -25.406 -13.395
  379    H    MET  51           H        MET  51  10.062 -29.046 -11.808
  380    HA   MET  51           HA       MET  51  11.359 -31.170 -13.255
  381    HB2  MET  51           HB2      MET  51   9.109 -32.096 -13.459
  382    HB3  MET  51           HB3      MET  51   9.454 -31.627 -11.804
  383    HG2  MET  51           HG2      MET  51   7.775 -29.968 -13.735
  384    HG3  MET  51           HG3      MET  51   7.137 -31.155 -12.606
  385    HE1  MET  51           HE1      MET  51   5.846 -28.365 -12.613
  386    HE2  MET  51           HE2      MET  51   5.446 -29.655 -11.455
  387    HE3  MET  51           HE3      MET  51   5.783 -28.010 -10.871
  388    H    SER  52           H        SER  52  10.751 -31.828 -15.460
  389    HA   SER  52           HA       SER  52  10.947 -29.698 -17.355
  390    HB2  SER  52           HB2      SER  52  10.473 -32.671 -17.819
  391    HB3  SER  52           HB3      SER  52  11.202 -31.508 -18.944
  392    HG   SER  52           HG       SER  52  12.774 -32.766 -17.851
  393    H    ALA  53           H        ALA  53   8.613 -29.111 -16.103
  394    HA   ALA  53           HA       ALA  53   6.383 -28.928 -16.082
  395    HB1  ALA  53           HB1      ALA  53   5.309 -28.322 -18.179
  396    HB2  ALA  53           HB2      ALA  53   6.931 -27.612 -18.099
  397    HB3  ALA  53           HB3      ALA  53   6.634 -29.047 -19.110
  398    H    LEU  54           H        LEU  54   7.413 -31.654 -15.861
  399    HA   LEU  54           HA       LEU  54   5.773 -33.523 -17.234
  400    HB2  LEU  54           HB2      LEU  54   7.922 -34.037 -16.088
  401    HB3  LEU  54           HB3      LEU  54   7.163 -33.709 -14.526
  402    HG   LEU  54           HG       LEU  54   5.649 -35.647 -14.830
  403   HD11  LEU  54          HD11      LEU  54   7.185 -36.101 -17.432
  404   HD12  LEU  54          HD12      LEU  54   6.088 -37.274 -16.670
  405   HD13  LEU  54          HD13      LEU  54   5.448 -35.749 -17.278
  406   HD21  LEU  54          HD21      LEU  54   7.347 -37.394 -14.576
  407   HD22  LEU  54          HD22      LEU  54   8.587 -36.318 -15.260
  408   HD23  LEU  54          HD23      LEU  54   7.818 -35.927 -13.706
  409    H    THR  55           H        THR  55   5.164 -31.481 -14.420
  410    HA   THR  55           HA       THR  55   2.419 -32.454 -14.137
  411    HB   THR  55           HB       THR  55   2.802 -32.415 -11.615
  412    HG1  THR  55           HG1      THR  55   4.950 -32.744 -10.934
  413   HG21  THR  55          HG21      THR  55   3.585 -34.684 -11.427
  414   HG22  THR  55          HG22      THR  55   2.608 -34.564 -12.899
  415   HG23  THR  55          HG23      THR  55   4.382 -34.612 -13.009
  416    H    ASP  56           H        ASP  56   1.324 -30.821 -12.555
  417    HA   ASP  56           HA       ASP  56   2.440 -28.108 -12.917
  418    HB2  ASP  56           HB2      ASP  56   0.416 -27.281 -13.729
  419    HB3  ASP  56           HB3      ASP  56   0.725 -28.743 -14.660
  420    H    LYS  57           H        LYS  57   2.567 -29.763 -10.655
  421    HA   LYS  57           HA       LYS  57   0.661 -28.709  -8.637
  422    HB2  LYS  57           HB2      LYS  57   1.796 -30.308  -7.113
  423    HB3  LYS  57           HB3      LYS  57   1.106 -31.108  -8.521
  424    HG2  LYS  57           HG2      LYS  57   3.233 -31.491  -9.491
  425    HG3  LYS  57           HG3      LYS  57   4.017 -30.264  -8.493
  426    HD2  LYS  57           HD2      LYS  57   4.665 -32.493  -7.797
  427    HD3  LYS  57           HD3      LYS  57   3.816 -31.628  -6.507
  428    HE2  LYS  57           HE2      LYS  57   1.740 -32.884  -7.006
  429    HE3  LYS  57           HE3      LYS  57   2.552 -33.721  -8.339
  430    HZ1  LYS  57           HZ1      LYS  57   2.509 -35.061  -6.328
  431    HZ2  LYS  57           HZ2      LYS  57   4.053 -34.709  -6.704
  432    HZ3  LYS  57           HZ3      LYS  57   3.311 -33.927  -5.465
  433    H    ALA  58           H        ALA  58   1.821 -28.168  -6.505
  434    HA   ALA  58           HA       ALA  58   4.521 -27.026  -6.739
  435    HB1  ALA  58           HB1      ALA  58   3.823 -24.868  -5.729
  436    HB2  ALA  58           HB2      ALA  58   3.134 -25.095  -7.351
  437    HB3  ALA  58           HB3      ALA  58   2.125 -25.326  -5.910
  438    H    ILE  59           H        ILE  59   5.119 -26.132  -4.401
  439    HA   ILE  59           HA       ILE  59   3.858 -27.758  -2.282
  440    HB   ILE  59           HB       ILE  59   6.722 -27.952  -3.239
  441   HG12  ILE  59          HG12      ILE  59   4.538 -29.862  -2.428
  442   HG13  ILE  59          HG13      ILE  59   5.182 -29.626  -4.052
  443   HG21  ILE  59          HG21      ILE  59   5.815 -28.775  -0.445
  444   HG22  ILE  59          HG22      ILE  59   7.420 -29.044  -1.148
  445   HG23  ILE  59          HG23      ILE  59   6.900 -27.409  -0.801
  446   HD11  ILE  59          HD11      ILE  59   7.389 -30.617  -3.146
  447   HD12  ILE  59          HD12      ILE  59   6.448 -31.088  -1.717
  448   HD13  ILE  59          HD13      ILE  59   6.009 -31.719  -3.310
  449    H    VAL  60           H        VAL  60   4.136 -26.927  -0.253
  450    HA   VAL  60           HA       VAL  60   4.547 -23.985  -0.209
  451    HB   VAL  60           HB       VAL  60   3.571 -25.962   1.876
  452   HG11  VAL  60          HG11      VAL  60   2.811 -23.955   3.139
  453   HG12  VAL  60          HG12      VAL  60   4.560 -23.950   2.939
  454   HG13  VAL  60          HG13      VAL  60   3.551 -22.903   1.913
  455   HG21  VAL  60          HG21      VAL  60   1.960 -23.963   0.231
  456   HG22  VAL  60          HG22      VAL  60   1.945 -25.731   0.023
  457   HG23  VAL  60          HG23      VAL  60   1.333 -25.018   1.512
  458    H    LYS  61           H        LYS  61   6.395 -23.111   0.633
  459    HA   LYS  61           HA       LYS  61   8.431 -24.896   1.877
  460    HB2  LYS  61           HB2      LYS  61   8.451 -24.152  -0.792
  461    HB3  LYS  61           HB3      LYS  61   9.281 -22.783  -0.086
  462    HG2  LYS  61           HG2      LYS  61  10.992 -24.276  -0.720
  463    HG3  LYS  61           HG3      LYS  61  10.869 -24.460   1.024
  464    HD2  LYS  61           HD2      LYS  61  11.115 -26.660   0.069
  465    HD3  LYS  61           HD3      LYS  61   9.472 -26.525   0.673
  466    HE2  LYS  61           HE2      LYS  61   9.345 -27.649  -1.414
  467    HE3  LYS  61           HE3      LYS  61   8.692 -26.034  -1.687
  468    HZ1  LYS  61           HZ1      LYS  61  10.883 -25.457  -2.667
  469    HZ2  LYS  61           HZ2      LYS  61  11.413 -26.988  -2.422
  470    HZ3  LYS  61           HZ3      LYS  61  10.172 -26.706  -3.463
  471    H    LYS  62           H        LYS  62  10.194 -23.506   2.922
  472    HA   LYS  62           HA       LYS  62   9.177 -20.859   3.802
  473    HB2  LYS  62           HB2      LYS  62   8.665 -22.553   5.541
  474    HB3  LYS  62           HB3      LYS  62  10.354 -23.068   5.555
  475    HG2  LYS  62           HG2      LYS  62  11.050 -20.839   6.378
  476    HG3  LYS  62           HG3      LYS  62   9.365 -20.281   6.317
  477    HD2  LYS  62           HD2      LYS  62   8.708 -21.947   7.978
  478    HD3  LYS  62           HD3      LYS  62  10.352 -22.623   8.003
  479    HE2  LYS  62           HE2      LYS  62  11.248 -20.505   8.875
  480    HE3  LYS  62           HE3      LYS  62   9.648 -19.751   8.749
  481    HZ1  LYS  62           HZ1      LYS  62  10.050 -20.478  11.002
  482    HZ2  LYS  62           HZ2      LYS  62   8.824 -21.366  10.357
  483    HZ3  LYS  62           HZ3      LYS  62  10.323 -22.017  10.531
  484    H    GLU  63           H        GLU  63  10.789 -19.296   3.747
  485    HA   GLU  63           HA       GLU  63  13.616 -20.049   3.463
  486    HB2  GLU  63           HB2      GLU  63  12.010 -18.742   1.210
  487    HB3  GLU  63           HB3      GLU  63  13.776 -18.750   1.305
  488    HG2  GLU  63           HG2      GLU  63  13.714 -21.273   1.351
  489    HG3  GLU  63           HG3      GLU  63  11.972 -21.190   1.054
  490    H    LEU  64           H        LEU  64  14.971 -18.063   3.438
  491    HA   LEU  64           HA       LEU  64  13.971 -16.062   5.278
  492    HB2  LEU  64           HB2      LEU  64  16.320 -16.993   5.225
  493    HB3  LEU  64           HB3      LEU  64  16.565 -16.184   3.676
  494    HG   LEU  64           HG       LEU  64  16.268 -13.983   4.770
  495   HD11  LEU  64          HD11      LEU  64  14.791 -14.585   6.653
  496   HD12  LEU  64          HD12      LEU  64  16.061 -15.593   7.363
  497   HD13  LEU  64          HD13      LEU  64  16.263 -13.828   7.256
  498   HD21  LEU  64          HD21      LEU  64  18.291 -15.741   6.236
  499   HD22  LEU  64          HD22      LEU  64  18.528 -15.084   4.611
  500   HD23  LEU  64          HD23      LEU  64  18.386 -13.983   5.991
  501    H    LEU  65           H        LEU  65  13.101 -14.060   4.735
  502    HA   LEU  65           HA       LEU  65  11.895 -13.717   2.293
  503    HB2  LEU  65           HB2      LEU  65  11.222 -12.604   4.332
  504    HB3  LEU  65           HB3      LEU  65  12.655 -11.592   4.344
  505    HG   LEU  65           HG       LEU  65  10.790 -11.474   1.950
  506   HD11  LEU  65          HD11      LEU  65   9.446  -9.727   3.091
  507   HD12  LEU  65          HD12      LEU  65   9.285 -11.280   3.907
  508   HD13  LEU  65          HD13      LEU  65  10.324 -10.028   4.605
  509   HD21  LEU  65          HD21      LEU  65  11.437  -9.075   1.971
  510   HD22  LEU  65          HD22      LEU  65  12.419  -9.330   3.425
  511   HD23  LEU  65          HD23      LEU  65  12.875 -10.072   1.884
  512    H    TYR  66           H        TYR  66  15.078 -12.376   3.223
  513    HA   TYR  66           HA       TYR  66  15.313 -10.502   1.193
  514    HB2  TYR  66           HB2      TYR  66  17.269 -10.098   2.107
  515    HB3  TYR  66           HB3      TYR  66  16.911 -11.353   3.269
  516    HD1  TYR  66           HD2      TYR  66  17.867 -13.668   2.932
  517    HD2  TYR  66           HD1      TYR  66  18.936 -10.364   0.397
  518    HE1  TYR  66           HE2      TYR  66  19.844 -14.941   2.138
  519    HE2  TYR  66           HE1      TYR  66  20.924 -11.611  -0.412
  520    HH   TYR  66           HH       TYR  66  22.148 -13.592  -0.277
  521    H    ASP  67           H        ASP  67  15.879 -14.026   0.931
  522    HA   ASP  67           HA       ASP  67  17.200 -13.844  -1.641
  523    HB2  ASP  67           HB2      ASP  67  17.506 -15.779  -0.159
  524    HB3  ASP  67           HB3      ASP  67  15.786 -16.173  -0.284
  525    H    VAL  68           H        VAL  68  13.843 -14.265  -0.531
  526    HA   VAL  68           HA       VAL  68  12.754 -14.850  -3.137
  527    HB   VAL  68           HB       VAL  68  11.209 -13.748  -0.747
  528   HG11  VAL  68          HG11      VAL  68  10.478 -15.811  -2.886
  529   HG12  VAL  68          HG12      VAL  68   9.395 -15.107  -1.667
  530   HG13  VAL  68          HG13      VAL  68  10.053 -14.096  -2.964
  531   HG21  VAL  68          HG21      VAL  68  12.501 -15.561   0.240
  532   HG22  VAL  68          HG22      VAL  68  10.865 -16.146  -0.045
  533   HG23  VAL  68          HG23      VAL  68  12.168 -16.620  -1.150
  534    H    ALA  69           H        ALA  69  12.953 -11.920  -1.062
  535    HA   ALA  69           HA       ALA  69  11.759 -10.070  -2.856
  536    HB1  ALA  69           HB1      ALA  69  13.881  -9.684  -0.697
  537    HB2  ALA  69           HB2      ALA  69  12.967  -8.386  -1.483
  538    HB3  ALA  69           HB3      ALA  69  12.113  -9.585  -0.484
  539    H    GLY  70           H        GLY  70  14.985 -11.484  -2.791
  540    HA2  GLY  70           HA2      GLY  70  16.480  -9.812  -4.418
  541    HA3  GLY  70           HA3      GLY  70  16.603 -11.578  -4.358
  542    H    SER  71           H        SER  71  13.592 -11.545  -5.364
  543    HA   SER  71           HA       SER  71  13.849 -11.880  -8.118
  544    HB2  SER  71           HB2      SER  71  11.533 -10.738  -6.501
  545    HB3  SER  71           HB3      SER  71  11.448 -11.310  -8.170
  546    HG   SER  71           HG       SER  71  11.910 -12.772  -5.785
  547    H    ASP  72           H        ASP  72  13.099  -8.878  -6.316
  548    HA   ASP  72           HA       ASP  72  14.537  -7.160  -8.051
  549    HB2  ASP  72           HB2      ASP  72  12.616  -7.423  -9.583
  550    HB3  ASP  72           HB3      ASP  72  11.513  -7.093  -8.252
  551    H    LYS  73           H        LYS  73  11.625  -7.217  -6.021
  552    HA   LYS  73           HA       LYS  73  12.813  -6.024  -3.739
  553    HB2  LYS  73           HB2      LYS  73  11.670  -3.867  -3.688
  554    HB3  LYS  73           HB3      LYS  73  12.696  -3.969  -5.116
  555    HG2  LYS  73           HG2      LYS  73  10.666  -4.553  -6.476
  556    HG3  LYS  73           HG3      LYS  73   9.665  -4.271  -5.044
  557    HD2  LYS  73           HD2      LYS  73  10.263  -1.959  -4.957
  558    HD3  LYS  73           HD3      LYS  73  11.521  -2.137  -6.186
  559    HE2  LYS  73           HE2      LYS  73   8.609  -2.804  -6.779
  560    HE3  LYS  73           HE3      LYS  73   9.209  -1.145  -6.892
  561    HZ1  LYS  73           HZ1      LYS  73   9.278  -2.400  -9.012
  562    HZ2  LYS  73           HZ2      LYS  73  10.723  -1.780  -8.580
  563    HZ3  LYS  73           HZ3      LYS  73  10.454  -3.377  -8.406
  564    H    TYR  74           H        TYR  74  10.561  -5.226  -2.324
  565    HA   TYR  74           HA       TYR  74   8.353  -7.055  -2.895
  566    HB2  TYR  74           HB2      TYR  74   8.490  -8.337  -0.958
  567    HB3  TYR  74           HB3      TYR  74  10.107  -8.374  -1.582
  568    HD1  TYR  74           HD2      TYR  74  11.854  -6.705  -0.473
  569    HD2  TYR  74           HD1      TYR  74   7.968  -7.484   1.218
  570    HE1  TYR  74           HE2      TYR  74  12.625  -5.814   1.695
  571    HE2  TYR  74           HE1      TYR  74   8.727  -6.600   3.395
  572    HH   TYR  74           HH       TYR  74  12.058  -5.355   3.913
  573    H    GLN  75           H        GLN  75   6.596  -6.713  -1.175
  574    HA   GLN  75           HA       GLN  75   6.763  -4.174   0.292
  575    HB2  GLN  75           HB2      GLN  75   4.353  -4.630  -1.505
  576    HB3  GLN  75           HB3      GLN  75   4.833  -3.178  -0.651
  577    HG2  GLN  75           HG2      GLN  75   6.828  -3.056  -2.272
  578    HG3  GLN  75           HG3      GLN  75   6.042  -4.344  -3.195
  579   HE21  GLN  75          HE22      GLN  75   4.122  -3.782  -4.467
  580   HE22  GLN  75          HE21      GLN  75   3.660  -2.081  -4.625
  581    H    VAL  76           H        VAL  76   5.062  -4.082   1.955
  582    HA   VAL  76           HA       VAL  76   3.877  -6.702   2.672
  583    HB   VAL  76           HB       VAL  76   3.670  -3.944   3.982
  584   HG11  VAL  76          HG11      VAL  76   2.665  -6.675   4.916
  585   HG12  VAL  76          HG12      VAL  76   2.713  -5.213   5.922
  586   HG13  VAL  76          HG13      VAL  76   1.668  -5.266   4.503
  587   HG21  VAL  76          HG21      VAL  76   5.229  -6.420   4.834
  588   HG22  VAL  76          HG22      VAL  76   5.939  -4.924   4.192
  589   HG23  VAL  76          HG23      VAL  76   5.099  -4.905   5.747
  590    H    ASN  77           H        ASN  77   1.728  -7.139   2.131
  591    HA   ASN  77           HA       ASN  77  -0.008  -4.950   1.208
  592    HB2  ASN  77           HB2      ASN  77   1.196  -5.599  -0.863
  593    HB3  ASN  77           HB3      ASN  77   0.602  -7.251  -0.683
  594   HD21  ASN  77          HD21      ASN  77  -0.019  -6.017  -3.013
  595   HD22  ASN  77          HD22      ASN  77  -1.717  -5.549  -3.037
  596    H    ASN  78           H        ASN  78  -0.715  -5.701   3.370
  597    HA   ASN  78           HA       ASN  78  -2.205  -8.190   3.612
  598    HB2  ASN  78           HB2      ASN  78  -2.310  -5.563   5.140
  599    HB3  ASN  78           HB3      ASN  78  -3.391  -6.918   5.429
  600   HD21  ASN  78          HD22      ASN  78  -1.053  -5.607   7.035
  601   HD22  ASN  78          HD21      ASN  78  -0.135  -6.998   7.576
  602    H    LYS  79           H        LYS  79  -3.611  -8.542   2.045
  603    HA   LYS  79           HA       LYS  79  -4.620  -6.791   0.271
  604    HB2  LYS  79           HB2      LYS  79  -4.540  -9.339   0.203
  605    HB3  LYS  79           HB3      LYS  79  -6.050  -9.339   1.113
  606    HG2  LYS  79           HG2      LYS  79  -6.648  -9.658  -1.136
  607    HG3  LYS  79           HG3      LYS  79  -7.061  -7.975  -0.791
  608    HD2  LYS  79           HD2      LYS  79  -4.962  -7.236  -1.905
  609    HD3  LYS  79           HD3      LYS  79  -4.574  -8.918  -2.301
  610    HE2  LYS  79           HE2      LYS  79  -7.218  -7.609  -3.043
  611    HE3  LYS  79           HE3      LYS  79  -5.789  -7.459  -4.083
  612    HZ1  LYS  79           HZ1      LYS  79  -7.234  -9.274  -4.761
  613    HZ2  LYS  79           HZ2      LYS  79  -5.765  -9.850  -4.357
  614    HZ3  LYS  79           HZ3      LYS  79  -7.043 -10.037  -3.334
  615    H    HIS  80           H        HIS  80  -6.628  -7.955   3.075
  616    HA   HIS  80           HA       HIS  80  -8.179  -5.454   2.970
  617    HB2  HIS  80           HB2      HIS  80 -10.298  -6.796   3.074
  618    HB3  HIS  80           HB3      HIS  80  -9.513  -6.667   1.514
  619    HD2  HIS  80           HD2      HIS  80  -8.693  -8.834   0.320
  620    HE1  HIS  80           HE1      HIS  80  -9.714 -11.701   3.282
  621    HE2  HIS  80           HE2      HIS  80  -8.839 -11.386   0.911
  622    H    ASP  81           H        ASP  81  -6.232  -6.352   4.796
  623    HA   ASP  81           HA       ASP  81  -7.205  -7.258   7.269
  624    HB2  ASP  81           HB2      ASP  81  -4.923  -6.992   6.885
  625    HB3  ASP  81           HB3      ASP  81  -5.074  -5.294   6.432
  626    H    ASP  82           H        ASP  82  -8.359  -4.558   5.563
  627    HA   ASP  82           HA       ASP  82  -8.971  -2.912   7.974
  628    HB2  ASP  82           HB2      ASP  82  -8.250  -1.703   5.959
  629    HB3  ASP  82           HB3      ASP  82  -9.557  -2.433   5.027
  630    H    LYS  83           H        LYS  83 -10.354  -5.274   5.760
  631    HA   LYS  83           HA       LYS  83 -13.102  -4.677   6.726
  632    HB2  LYS  83           HB2      LYS  83 -12.400  -6.704   4.605
  633    HB3  LYS  83           HB3      LYS  83 -13.937  -5.920   4.906
  634    HG2  LYS  83           HG2      LYS  83 -11.527  -4.969   3.389
  635    HG3  LYS  83           HG3      LYS  83 -13.201  -5.061   2.879
  636    HD2  LYS  83           HD2      LYS  83 -11.826  -2.976   4.552
  637    HD3  LYS  83           HD3      LYS  83 -12.598  -2.784   2.990
  638    HE2  LYS  83           HE2      LYS  83 -14.823  -3.034   4.012
  639    HE3  LYS  83           HE3      LYS  83 -14.083  -3.371   5.583
  640    HZ1  LYS  83           HZ1      LYS  83 -14.667  -1.086   5.544
  641    HZ2  LYS  83           HZ2      LYS  83 -13.022  -1.140   5.427
  642    HZ3  LYS  83           HZ3      LYS  83 -13.940  -0.820   4.108
  643    H    TYR  84           H        TYR  84 -10.553  -7.158   6.748
  644    HA   TYR  84           HA       TYR  84 -12.168  -8.789   8.651
  645    HB2  TYR  84           HB2      TYR  84 -10.956  -9.767   6.024
  646    HB3  TYR  84           HB3      TYR  84 -11.633 -10.812   7.260
  647    HD1  TYR  84           HD1      TYR  84 -14.112 -10.371   7.976
  648    HD2  TYR  84           HD2      TYR  84 -12.364  -9.015   4.276
  649    HE1  TYR  84           HE1      TYR  84 -16.386 -10.088   7.007
  650    HE2  TYR  84           HE2      TYR  84 -14.616  -8.667   3.317
  651    HH   TYR  84           HH       TYR  84 -16.919  -8.853   3.670
  652    H    SER  85           H        SER  85 -11.004 -10.332   9.760
  653    HA   SER  85           HA       SER  85  -8.451 -11.306   9.335
  654    HB2  SER  85           HB2      SER  85  -8.413  -8.999  11.298
  655    HB3  SER  85           HB3      SER  85  -7.286 -10.373  11.401
  656    HG   SER  85           HG       SER  85  -7.714  -8.826   9.080
  657    HA   PRO  86           HA       PRO  86 -11.436 -13.312  12.292
  658    HB2  PRO  86           HB2      PRO  86 -11.531 -15.771  11.065
  659    HB3  PRO  86           HB3      PRO  86 -12.588 -14.389  10.621
  660    HG2  PRO  86           HG2      PRO  86 -10.022 -15.308   9.302
  661    HG3  PRO  86           HG3      PRO  86 -11.574 -14.853   8.524
  662    HD2  PRO  86           HD2      PRO  86  -9.487 -13.118   8.708
  663    HD3  PRO  86           HD3      PRO  86 -11.179 -12.563   8.866
  664    H    LEU  87           H        LEU  87  -8.224 -13.897  11.214
  665    HA   LEU  87           HA       LEU  87  -7.698 -15.918  13.349
  666    HB2  LEU  87           HB2      LEU  87  -6.378 -15.488  10.645
  667    HB3  LEU  87           HB3      LEU  87  -5.786 -16.592  11.885
  668    HG   LEU  87           HG       LEU  87  -8.494 -16.806  10.499
  669   HD11  LEU  87          HD11      LEU  87  -6.614 -17.252   8.983
  670   HD12  LEU  87          HD12      LEU  87  -5.928 -18.413  10.135
  671   HD13  LEU  87          HD13      LEU  87  -7.488 -18.747   9.350
  672   HD21  LEU  87          HD21      LEU  87  -8.618 -17.810  12.731
  673   HD22  LEU  87          HD22      LEU  87  -8.559 -19.084  11.517
  674   HD23  LEU  87          HD23      LEU  87  -7.100 -18.696  12.453
  675    HA   PRO  88           HA       PRO  88  -5.050 -12.554  14.958
  676    HB2  PRO  88           HB2      PRO  88  -4.141 -14.921  16.605
  677    HB3  PRO  88           HB3      PRO  88  -4.473 -13.243  17.139
  678    HG2  PRO  88           HG2      PRO  88  -6.277 -15.219  17.602
  679    HG3  PRO  88           HG3      PRO  88  -6.829 -13.603  17.052
  680    HD2  PRO  88           HD2      PRO  88  -6.474 -16.120  15.416
  681    HD3  PRO  88           HD3      PRO  88  -7.792 -14.913  15.371
  682    H    CYS  89           H        CYS  89  -2.682 -12.260  14.987
  683    HA   CYS  89           HA       CYS  89  -1.256 -13.290  12.815
  684    HB2  CYS  89           HB2      CYS  89   0.777 -12.467  14.093
  685    HB3  CYS  89           HB3      CYS  89  -0.495 -11.282  13.784
  686    HG   CYS  89           HG       CYS  89   0.530 -10.846  16.142
  687    H    SER  90           H        SER  90  -1.108 -14.436  16.241
  688    HA   SER  90           HA       SER  90   0.744 -16.443  15.909
  689    HB2  SER  90           HB2      SER  90  -1.747 -16.689  17.629
  690    HB3  SER  90           HB3      SER  90  -0.142 -17.368  17.947
  691    HG   SER  90           HG       SER  90   0.630 -15.290  18.310
  692    H    LYS  91           H        LYS  91  -2.751 -16.654  15.180
  693    HA   LYS  91           HA       LYS  91  -2.647 -19.498  14.614
  694    HB2  LYS  91           HB2      LYS  91  -4.802 -17.473  13.918
  695    HB3  LYS  91           HB3      LYS  91  -4.941 -19.230  13.837
  696    HG2  LYS  91           HG2      LYS  91  -4.588 -17.567  16.364
  697    HG3  LYS  91           HG3      LYS  91  -6.057 -18.373  15.814
  698    HD2  LYS  91           HD2      LYS  91  -4.909 -20.586  16.041
  699    HD3  LYS  91           HD3      LYS  91  -3.487 -19.749  16.711
  700    HE2  LYS  91           HE2      LYS  91  -4.886 -18.816  18.531
  701    HE3  LYS  91           HE3      LYS  91  -6.307 -19.635  17.869
  702    HZ1  LYS  91           HZ1      LYS  91  -5.214 -21.755  18.314
  703    HZ2  LYS  91           HZ2      LYS  91  -3.896 -21.000  18.926
  704    HZ3  LYS  91           HZ3      LYS  91  -5.332 -20.885  19.683
  705    H    ILE  92           H        ILE  92  -2.470 -16.505  12.651
  706    HA   ILE  92           HA       ILE  92  -2.571 -17.765  10.086
  707    HB   ILE  92           HB       ILE  92  -1.159 -15.239  11.051
  708   HG12  ILE  92          HG12      ILE  92  -3.675 -15.374   9.363
  709   HG13  ILE  92          HG13      ILE  92  -3.784 -15.470  11.108
  710   HG21  ILE  92          HG21      ILE  92  -1.100 -14.579   8.622
  711   HG22  ILE  92          HG22      ILE  92  -0.056 -15.939   8.991
  712   HG23  ILE  92          HG23      ILE  92  -1.626 -16.223   8.206
  713   HD11  ILE  92          HD11      ILE  92  -4.069 -13.153  10.110
  714   HD12  ILE  92          HD12      ILE  92  -2.924 -13.305  11.446
  715   HD13  ILE  92          HD13      ILE  92  -2.318 -13.159   9.795
  716    H    ILE  93           H        ILE  93   0.211 -16.961  12.242
  717    HA   ILE  93           HA       ILE  93   2.229 -18.091  10.593
  718    HB   ILE  93           HB       ILE  93   2.104 -17.690  13.619
  719   HG12  ILE  93          HG12      ILE  93   3.406 -15.915  11.510
  720   HG13  ILE  93          HG13      ILE  93   1.774 -15.675  12.086
  721   HG21  ILE  93          HG21      ILE  93   4.598 -17.687  13.532
  722   HG22  ILE  93          HG22      ILE  93   3.929 -19.244  13.064
  723   HG23  ILE  93          HG23      ILE  93   4.522 -18.130  11.815
  724   HD11  ILE  93          HD11      ILE  93   3.071 -14.202  13.366
  725   HD12  ILE  93          HD12      ILE  93   2.688 -15.535  14.457
  726   HD13  ILE  93          HD13      ILE  93   4.308 -15.431  13.717
  727    H    GLN  94           H        GLN  94   0.358 -19.412  13.317
  728    HA   GLN  94           HA       GLN  94   1.517 -21.973  13.463
  729    HB2  GLN  94           HB2      GLN  94  -1.285 -20.951  13.996
  730    HB3  GLN  94           HB3      GLN  94  -0.939 -22.659  14.183
  731    HG2  GLN  94           HG2      GLN  94   0.871 -20.705  15.595
  732    HG3  GLN  94           HG3      GLN  94  -0.775 -20.920  16.193
  733   HE21  GLN  94          HE22      GLN  94   1.761 -23.242  14.902
  734   HE22  GLN  94          HE21      GLN  94   1.639 -24.321  16.261
  735    H    ARG  95           H        ARG  95  -1.120 -20.830  11.312
  736    HA   ARG  95           HA       ARG  95  -1.480 -23.396  10.090
  737    HB2  ARG  95           HB2      ARG  95  -2.954 -21.140   9.996
  738    HB3  ARG  95           HB3      ARG  95  -1.978 -20.824   8.571
  739    HG2  ARG  95           HG2      ARG  95  -3.774 -21.902   7.624
  740    HG3  ARG  95           HG3      ARG  95  -2.707 -23.283   7.868
  741    HD2  ARG  95           HD2      ARG  95  -5.009 -22.427   9.695
  742    HD3  ARG  95           HD3      ARG  95  -5.063 -23.722   8.511
  743    HE   ARG  95           HE       ARG  95  -3.625 -25.075   9.787
  744   HH11  ARG  95          HH21      ARG  95  -4.452 -22.082  11.554
  745   HH12  ARG  95          HH22      ARG  95  -4.104 -22.749  13.103
  746   HH21  ARG  95          HH11      ARG  95  -3.116 -25.929  11.826
  747   HH22  ARG  95          HH12      ARG  95  -3.319 -24.978  13.263
  748    H    ALA  96           H        ALA  96   0.447 -20.527   9.041
  749    HA   ALA  96           HA       ALA  96   1.517 -21.620   6.710
  750    HB1  ALA  96           HB1      ALA  96   1.764 -19.237   7.561
  751    HB2  ALA  96           HB2      ALA  96   2.997 -19.831   8.686
  752    HB3  ALA  96           HB3      ALA  96   3.255 -19.958   6.936
  753    H    GLU  97           H        GLU  97   2.733 -21.924  10.033
  754    HA   GLU  97           HA       GLU  97   5.061 -23.426   9.430
  755    HB2  GLU  97           HB2      GLU  97   3.387 -23.090  11.950
  756    HB3  GLU  97           HB3      GLU  97   4.911 -23.970  11.939
  757    HG2  GLU  97           HG2      GLU  97   4.720 -21.076  10.997
  758    HG3  GLU  97           HG3      GLU  97   4.955 -21.515  12.685
  759    H    GLU  98           H        GLU  98   1.674 -24.490   9.830
  760    HA   GLU  98           HA       GLU  98   2.332 -27.259  10.331
  761    HB2  GLU  98           HB2      GLU  98   0.314 -26.656  11.257
  762    HB3  GLU  98           HB3      GLU  98  -0.053 -25.473  10.020
  763    HG2  GLU  98           HG2      GLU  98  -0.623 -27.241   8.431
  764    HG3  GLU  98           HG3      GLU  98  -0.383 -28.456   9.707
  765    H    LEU  99           H        LEU  99   1.886 -25.078   7.632
  766    HA   LEU  99           HA       LEU  99   1.335 -27.216   5.719
  767    HB2  LEU  99           HB2      LEU  99   1.505 -24.196   5.496
  768    HB3  LEU  99           HB3      LEU  99   1.045 -25.259   4.167
  769    HG   LEU  99           HG       LEU  99  -0.462 -25.270   6.823
  770   HD11  LEU  99          HD11      LEU  99  -2.127 -23.802   5.653
  771   HD12  LEU  99          HD12      LEU  99  -0.576 -23.001   5.945
  772   HD13  LEU  99          HD13      LEU  99  -0.967 -23.619   4.320
  773   HD21  LEU  99          HD21      LEU  99  -2.287 -26.208   5.441
  774   HD22  LEU  99          HD22      LEU  99  -1.240 -26.168   4.006
  775   HD23  LEU  99          HD23      LEU  99  -0.857 -27.232   5.374
  776    H    VAL 100           H        VAL 100   4.261 -25.598   6.765
  777    HA   VAL 100           HA       VAL 100   5.671 -25.585   4.337
  778    HB   VAL 100           HB       VAL 100   6.884 -26.334   7.031
  779   HG11  VAL 100          HG11      VAL 100   8.409 -26.579   5.086
  780   HG12  VAL 100          HG12      VAL 100   8.046 -24.914   4.583
  781   HG13  VAL 100          HG13      VAL 100   8.899 -25.231   6.110
  782   HG21  VAL 100          HG21      VAL 100   6.210 -23.582   5.916
  783   HG22  VAL 100          HG22      VAL 100   5.631 -24.315   7.425
  784   HG23  VAL 100          HG23      VAL 100   7.321 -23.869   7.278
  785    H    GLY 101           H        GLY 101   6.307 -27.135   2.953
  786    HA2  GLY 101           HA2      GLY 101   7.169 -29.128   2.231
  787    HA3  GLY 101           HA3      GLY 101   6.955 -29.850   3.831
  788    H    GLN 102           H        GLN 102   3.984 -28.367   3.017
  789    HA   GLN 102           HA       GLN 102   2.867 -30.981   2.178
  790    HB2  GLN 102           HB2      GLN 102   1.516 -28.371   3.011
  791    HB3  GLN 102           HB3      GLN 102   0.669 -29.762   2.335
  792    HG2  GLN 102           HG2      GLN 102   1.677 -31.210   4.103
  793    HG3  GLN 102           HG3      GLN 102   2.323 -29.757   4.885
  794   HE21  GLN 102          HE22      GLN 102   1.037 -29.310   6.733
  795   HE22  GLN 102          HE21      GLN 102  -0.698 -29.497   6.757
  796    H    GLU 103           H        GLU 103   1.342 -30.976   0.379
  797    HA   GLU 103           HA       GLU 103   2.549 -29.475  -1.901
  798    HB2  GLU 103           HB2      GLU 103   1.059 -32.087  -2.171
  799    HB3  GLU 103           HB3      GLU 103   2.197 -31.312  -3.277
  800    HG2  GLU 103           HG2      GLU 103   4.045 -31.873  -1.640
  801    HG3  GLU 103           HG3      GLU 103   2.858 -32.720  -0.658
  802    H    VAL 104           H        VAL 104   1.191 -28.762  -3.597
  803    HA   VAL 104           HA       VAL 104  -1.721 -29.048  -3.228
  804    HB   VAL 104           HB       VAL 104  -1.934 -26.792  -4.137
  805   HG11  VAL 104          HG11      VAL 104  -0.511 -26.824  -1.439
  806   HG12  VAL 104          HG12      VAL 104  -1.612 -25.563  -2.022
  807   HG13  VAL 104          HG13      VAL 104  -2.229 -27.193  -1.707
  808   HG21  VAL 104          HG21      VAL 104   0.283 -26.404  -5.097
  809   HG22  VAL 104          HG22      VAL 104  -0.164 -25.119  -3.982
  810   HG23  VAL 104          HG23      VAL 104   0.998 -26.364  -3.470
  811    H    LEU 105           H        LEU 105  -2.803 -29.308  -5.202
  812    HA   LEU 105           HA       LEU 105  -1.055 -30.429  -7.230
  813    HB2  LEU 105           HB2      LEU 105  -3.293 -31.329  -6.115
  814    HB3  LEU 105           HB3      LEU 105  -4.093 -30.261  -7.263
  815    HG   LEU 105           HG       LEU 105  -3.043 -31.583  -9.149
  816   HD11  LEU 105          HD11      LEU 105  -1.991 -33.790  -8.542
  817   HD12  LEU 105          HD12      LEU 105  -1.004 -32.404  -8.084
  818   HD13  LEU 105          HD13      LEU 105  -1.946 -33.256  -6.845
  819   HD21  LEU 105          HD21      LEU 105  -5.278 -32.150  -8.270
  820   HD22  LEU 105          HD22      LEU 105  -4.414 -33.598  -8.815
  821   HD23  LEU 105          HD23      LEU 105  -4.542 -33.238  -7.076
  822    H    TYR 106           H        TYR 106  -1.561 -27.402  -6.866
  823    HA   TYR 106           HA       TYR 106  -2.118 -26.774  -9.717
  824    HB2  TYR 106           HB2      TYR 106  -3.120 -24.668  -8.997
  825    HB3  TYR 106           HB3      TYR 106  -4.011 -26.062  -8.451
  826    HD1  TYR 106           HD1      TYR 106  -1.365 -23.653  -7.218
  827    HD2  TYR 106           HD2      TYR 106  -4.745 -26.153  -6.231
  828    HE1  TYR 106           HE1      TYR 106  -1.374 -22.739  -4.907
  829    HE2  TYR 106           HE2      TYR 106  -4.768 -25.233  -3.938
  830    HH   TYR 106           HH       TYR 106  -3.789 -23.746  -2.446
  831    H    LYS 107           H        LYS 107  -1.051 -24.892 -10.510
  832    HA   LYS 107           HA       LYS 107   1.694 -25.087  -9.921
  833    HB2  LYS 107           HB2      LYS 107   0.020 -24.808 -12.126
  834    HB3  LYS 107           HB3      LYS 107   0.610 -23.158 -11.959
  835    HG2  LYS 107           HG2      LYS 107   2.956 -24.092 -11.986
  836    HG3  LYS 107           HG3      LYS 107   2.252 -25.713 -12.207
  837    HD2  LYS 107           HD2      LYS 107   1.373 -25.134 -14.373
  838    HD3  LYS 107           HD3      LYS 107   1.620 -23.396 -14.101
  839    HE2  LYS 107           HE2      LYS 107   4.027 -23.653 -14.128
  840    HE3  LYS 107           HE3      LYS 107   3.890 -25.415 -14.289
  841    HZ1  LYS 107           HZ1      LYS 107   4.315 -24.352 -16.419
  842    HZ2  LYS 107           HZ2      LYS 107   2.848 -25.059 -16.458
  843    HZ3  LYS 107           HZ3      LYS 107   2.976 -23.436 -16.302
  844    H    LEU 108           H        LEU 108   3.055 -23.085 -10.338
  845    HA   LEU 108           HA       LEU 108   2.651 -21.146  -8.218
  846    HB2  LEU 108           HB2      LEU 108   4.868 -21.426 -10.308
  847    HB3  LEU 108           HB3      LEU 108   4.935 -20.433  -8.851
  848    HG   LEU 108           HG       LEU 108   4.824 -23.471  -8.931
  849   HD11  LEU 108          HD11      LEU 108   7.050 -21.588  -8.053
  850   HD12  LEU 108          HD12      LEU 108   7.088 -23.370  -8.135
  851   HD13  LEU 108          HD13      LEU 108   6.982 -22.428  -9.620
  852   HD21  LEU 108          HD21      LEU 108   5.222 -23.264  -6.471
  853   HD22  LEU 108          HD22      LEU 108   4.920 -21.517  -6.593
  854   HD23  LEU 108          HD23      LEU 108   3.628 -22.689  -6.974
  855    H    THR 109           H        THR 109   0.539 -20.597  -9.988
  856    HA   THR 109           HA       THR 109   1.404 -18.375 -11.720
  857    HB   THR 109           HB       THR 109  -1.043 -17.982 -11.922
  858    HG1  THR 109           HG1      THR 109  -2.420 -19.581 -11.076
  859   HG21  THR 109          HG21      THR 109   0.168 -19.498 -13.515
  860   HG22  THR 109          HG22      THR 109  -0.212 -20.885 -12.482
  861   HG23  THR 109          HG23      THR 109  -1.519 -19.985 -13.281
  862    H    SER 110           H        SER 110   1.152 -16.169 -11.061
  863    HA   SER 110           HA       SER 110   1.622 -15.520  -8.392
  864    HB2  SER 110           HB2      SER 110   0.243 -13.840 -10.525
  865    HB3  SER 110           HB3      SER 110   1.151 -13.238  -9.123
  866    HG   SER 110           HG       SER 110   2.942 -13.635 -10.060
  867    H    GLU 111           H        GLU 111  -1.487 -15.813 -10.160
  868    HA   GLU 111           HA       GLU 111  -3.190 -14.903  -8.071
  869    HB2  GLU 111           HB2      GLU 111  -3.608 -16.748 -10.463
  870    HB3  GLU 111           HB3      GLU 111  -4.907 -16.284  -9.370
  871    HG2  GLU 111           HG2      GLU 111  -4.958 -14.865 -11.331
  872    HG3  GLU 111           HG3      GLU 111  -4.618 -13.927  -9.880
  873    H    ASN 112           H        ASN 112  -1.897 -18.265  -8.751
  874    HA   ASN 112           HA       ASN 112  -3.588 -19.433  -6.693
  875    HB2  ASN 112           HB2      ASN 112  -1.071 -20.328  -8.131
  876    HB3  ASN 112           HB3      ASN 112  -1.723 -21.240  -6.788
  877   HD21  ASN 112          HD22      ASN 112  -1.456 -22.230  -9.428
  878   HD22  ASN 112          HD21      ASN 112  -3.065 -22.579 -10.059
  879    H    CYS 113           H        CYS 113  -0.313 -17.995  -6.736
  880    HA   CYS 113           HA       CYS 113   0.301 -18.753  -4.025
  881    HB2  CYS 113           HB2      CYS 113   1.361 -16.374  -5.620
  882    HB3  CYS 113           HB3      CYS 113   2.077 -17.085  -4.168
  883    HG   CYS 113           HG       CYS 113   1.565 -18.439  -7.162
  884    H    GLU 114           H        GLU 114  -1.122 -15.779  -5.500
  885    HA   GLU 114           HA       GLU 114  -1.465 -14.284  -3.153
  886    HB2  GLU 114           HB2      GLU 114  -1.775 -13.561  -5.573
  887    HB3  GLU 114           HB3      GLU 114  -3.355 -14.323  -5.555
  888    HG2  GLU 114           HG2      GLU 114  -4.133 -12.863  -3.789
  889    HG3  GLU 114           HG3      GLU 114  -2.525 -12.207  -3.527
  890    H    HIS 115           H        HIS 115  -3.631 -16.653  -4.726
  891    HA   HIS 115           HA       HIS 115  -5.839 -16.492  -2.991
  892    HB2  HIS 115           HB2      HIS 115  -5.967 -17.636  -5.122
  893    HB3  HIS 115           HB3      HIS 115  -4.704 -18.770  -4.665
  894    HD2  HIS 115           HD2      HIS 115  -5.315 -20.585  -2.658
  895    HE1  HIS 115           HE1      HIS 115  -9.539 -20.203  -2.991
  896    HE2  HIS 115           HE2      HIS 115  -7.643 -21.462  -1.836
  897    H    PHE 116           H        PHE 116  -2.997 -18.773  -2.870
  898    HA   PHE 116           HA       PHE 116  -3.893 -20.046  -0.531
  899    HB2  PHE 116           HB2      PHE 116  -2.181 -21.071  -1.894
  900    HB3  PHE 116           HB3      PHE 116  -1.156 -19.652  -1.803
  901    HD1  PHE 116           HD1      PHE 116   0.260 -19.194   0.133
  902    HD2  PHE 116           HD2      PHE 116  -2.238 -22.704   0.001
  903    HE1  PHE 116           HE1      PHE 116   1.528 -20.142   2.030
  904    HE2  PHE 116           HE2      PHE 116  -0.934 -23.684   1.869
  905    HZ   PHE 116           HZ       PHE 116   0.943 -22.411   2.893
  906    H    VAL 117           H        VAL 117  -1.492 -17.352  -0.796
  907    HA   VAL 117           HA       VAL 117  -1.114 -17.340   2.023
  908    HB   VAL 117           HB       VAL 117  -0.044 -15.222   1.841
  909   HG11  VAL 117          HG11      VAL 117   0.706 -16.970  -0.523
  910   HG12  VAL 117          HG12      VAL 117   1.717 -15.755   0.257
  911   HG13  VAL 117          HG13      VAL 117   1.222 -17.187   1.168
  912   HG21  VAL 117          HG21      VAL 117   0.129 -13.913  -0.191
  913   HG22  VAL 117          HG22      VAL 117  -0.921 -15.043  -1.067
  914   HG23  VAL 117          HG23      VAL 117  -1.570 -14.045   0.245
  915    H    ASN 118           H        ASN 118  -3.658 -15.778   0.071
  916    HA   ASN 118           HA       ASN 118  -4.685 -14.232   2.306
  917    HB2  ASN 118           HB2      ASN 118  -5.816 -14.993  -0.405
  918    HB3  ASN 118           HB3      ASN 118  -6.829 -14.283   0.857
  919   HD21  ASN 118          HD22      ASN 118  -3.786 -13.621  -0.954
  920   HD22  ASN 118          HD21      ASN 118  -3.835 -11.887  -0.650
  921    H    GLU 119           H        GLU 119  -5.308 -17.515   1.044
  922    HA   GLU 119           HA       GLU 119  -7.362 -18.230   2.825
  923    HB2  GLU 119           HB2      GLU 119  -5.927 -19.481   0.793
  924    HB3  GLU 119           HB3      GLU 119  -5.312 -20.316   2.222
  925    HG2  GLU 119           HG2      GLU 119  -7.718 -20.737   2.880
  926    HG3  GLU 119           HG3      GLU 119  -8.193 -19.978   1.354
  927    H    LEU 120           H        LEU 120  -3.812 -18.095   3.376
  928    HA   LEU 120           HA       LEU 120  -4.079 -19.210   6.037
  929    HB2  LEU 120           HB2      LEU 120  -1.830 -17.900   4.490
  930    HB3  LEU 120           HB3      LEU 120  -1.704 -18.137   6.239
  931    HG   LEU 120           HG       LEU 120  -2.026 -20.508   6.051
  932   HD11  LEU 120          HD11      LEU 120  -1.958 -21.691   3.883
  933   HD12  LEU 120          HD12      LEU 120  -3.413 -20.724   4.015
  934   HD13  LEU 120          HD13      LEU 120  -2.039 -20.157   3.030
  935   HD21  LEU 120          HD21      LEU 120   0.112 -19.416   4.161
  936   HD22  LEU 120          HD22      LEU 120   0.236 -19.537   5.926
  937   HD23  LEU 120          HD23      LEU 120   0.154 -21.008   4.938
  938    H    ARG 121           H        ARG 121  -3.649 -15.917   4.706
  939    HA   ARG 121           HA       ARG 121  -3.423 -14.594   7.198
  940    HB2  ARG 121           HB2      ARG 121  -2.709 -13.697   5.003
  941    HB3  ARG 121           HB3      ARG 121  -4.389 -13.589   4.482
  942    HG2  ARG 121           HG2      ARG 121  -3.660 -11.388   5.101
  943    HG3  ARG 121           HG3      ARG 121  -4.809 -11.918   6.310
  944    HD2  ARG 121           HD2      ARG 121  -2.972 -12.482   7.849
  945    HD3  ARG 121           HD3      ARG 121  -1.789 -12.102   6.590
  946    HE   ARG 121           HE       ARG 121  -1.966  -9.897   7.047
  947   HH11  ARG 121          HH11      ARG 121  -4.928 -11.401   8.358
  948   HH12  ARG 121          HH12      ARG 121  -5.462  -9.950   9.147
  949   HH21  ARG 121          HH21      ARG 121  -2.547  -8.099   8.304
  950   HH22  ARG 121          HH22      ARG 121  -4.108  -8.001   9.056
  951    H    TYR 122           H        TYR 122  -6.258 -15.406   5.270
  952    HA   TYR 122           HA       TYR 122  -8.030 -14.217   7.366
  953    HB2  TYR 122           HB2      TYR 122  -8.539 -14.292   4.376
  954    HB3  TYR 122           HB3      TYR 122  -9.515 -13.486   5.591
  955    HD1  TYR 122           HD1      TYR 122  -8.464 -11.504   6.907
  956    HD2  TYR 122           HD2      TYR 122  -6.809 -13.130   3.271
  957    HE1  TYR 122           HE1      TYR 122  -7.158  -9.424   6.568
  958    HE2  TYR 122           HE2      TYR 122  -5.505 -11.064   2.933
  959    HH   TYR 122           HH       TYR 122  -4.798  -9.085   3.899
  960    H    GLY 123           H        GLY 123  -7.204 -17.238   6.201
  961    HA2  GLY 123           HA2      GLY 123  -8.182 -19.174   7.031
  962    HA3  GLY 123           HA3      GLY 123  -9.696 -18.311   7.344
  963    H    VAL 124           H        VAL 124  -9.874 -17.129   4.661
  964    HA   VAL 124           HA       VAL 124  -9.876 -19.337   2.730
  965    HB   VAL 124           HB       VAL 124 -12.333 -17.575   3.160
  966   HG11  VAL 124          HG11      VAL 124 -13.407 -19.146   1.573
  967   HG12  VAL 124          HG12      VAL 124 -12.013 -18.361   0.835
  968   HG13  VAL 124          HG13      VAL 124 -11.878 -20.037   1.407
  969   HG21  VAL 124          HG21      VAL 124 -12.000 -20.501   3.948
  970   HG22  VAL 124          HG22      VAL 124 -12.294 -19.132   5.048
  971   HG23  VAL 124          HG23      VAL 124 -13.539 -19.615   3.902
  972    H    ALA 125           H        ALA 125  -9.178 -18.463   0.721
  973    HA   ALA 125           HA       ALA 125  -8.040 -15.983   0.485
  974    HB1  ALA 125           HB1      ALA 125  -7.749 -17.860  -1.107
  975    HB2  ALA 125           HB2      ALA 125  -9.387 -17.556  -1.735
  976    HB3  ALA 125           HB3      ALA 125  -8.124 -16.329  -1.926
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1  17.321  -2.666  -0.185
    2    H2   MET   1           H2       MET   1  16.770  -3.771   0.884
    3    H3   MET   1           H3       MET   1  16.057  -3.625  -0.587
    4    HA   MET   1           HA       MET   1  15.292  -1.416  -0.067
    5    HB2  MET   1           HB2      MET   1  13.804  -3.333   0.394
    6    HB3  MET   1           HB3      MET   1  14.471  -3.486   2.021
    7    HG2  MET   1           HG2      MET   1  13.624  -1.228   2.575
    8    HG3  MET   1           HG3      MET   1  12.985  -1.054   0.937
    9    HE1  MET   1           HE1      MET   1   9.837  -1.398   3.359
   10    HE2  MET   1           HE2      MET   1  11.412  -0.718   3.820
   11    HE3  MET   1           HE3      MET   1  10.700  -0.323   2.237
   12    H    ARG   2           H        ARG   2  16.487   0.316   0.642
   13    HA   ARG   2           HA       ARG   2  18.154   0.181   2.996
   14    HB2  ARG   2           HB2      ARG   2  18.648   1.607   1.031
   15    HB3  ARG   2           HB3      ARG   2  17.199   2.558   1.333
   16    HG2  ARG   2           HG2      ARG   2  19.231   3.718   2.081
   17    HG3  ARG   2           HG3      ARG   2  18.116   3.435   3.407
   18    HD2  ARG   2           HD2      ARG   2  20.418   3.052   4.115
   19    HD3  ARG   2           HD3      ARG   2  19.490   1.552   4.209
   20    HE   ARG   2           HE       ARG   2  20.872   1.842   1.678
   21   HH11  ARG   2          HH11      ARG   2  21.400   0.919   5.064
   22   HH12  ARG   2          HH12      ARG   2  22.749  -0.100   4.727
   23   HH21  ARG   2          HH21      ARG   2  22.668   0.476   1.222
   24   HH22  ARG   2          HH22      ARG   2  23.487  -0.349   2.492
   25    H    ALA   3           H        ALA   3  14.869   1.441   2.348
   26    HA   ALA   3           HA       ALA   3  14.505   2.833   4.778
   27    HB1  ALA   3           HB1      ALA   3  12.469   1.400   3.009
   28    HB2  ALA   3           HB2      ALA   3  12.075   2.575   4.278
   29    HB3  ALA   3           HB3      ALA   3  12.999   3.092   2.855
   30    HA   PRO   4           HA       PRO   4  14.018  -0.603   7.633
   31    HB2  PRO   4           HB2      PRO   4  12.660   0.555   9.702
   32    HB3  PRO   4           HB3      PRO   4  14.347   0.985   9.301
   33    HG2  PRO   4           HG2      PRO   4  11.815   2.442   8.481
   34    HG3  PRO   4           HG3      PRO   4  13.297   3.129   9.216
   35    HD2  PRO   4           HD2      PRO   4  12.854   3.150   6.512
   36    HD3  PRO   4           HD3      PRO   4  14.496   2.951   7.194
   37    H    ILE   5           H        ILE   5  12.229  -1.748   8.868
   38    HA   ILE   5           HA       ILE   5   9.508  -1.440   7.728
   39    HB   ILE   5           HB       ILE   5   9.271  -3.946   7.961
   40   HG12  ILE   5          HG12      ILE   5  12.313  -3.983   7.658
   41   HG13  ILE   5          HG13      ILE   5  11.473  -4.370   9.157
   42   HG21  ILE   5          HG21      ILE   5   9.335  -2.659   5.825
   43   HG22  ILE   5          HG22      ILE   5  11.091  -2.909   5.745
   44   HG23  ILE   5          HG23      ILE   5   9.978  -4.288   5.647
   45   HD11  ILE   5          HD11      ILE   5  12.026  -6.429   8.063
   46   HD12  ILE   5          HD12      ILE   5  10.265  -6.223   7.968
   47   HD13  ILE   5          HD13      ILE   5  11.287  -5.910   6.542
   48    HA   PRO   6           HA       PRO   6  10.124  -0.937  12.247
   49    HB2  PRO   6           HB2      PRO   6   8.781   1.393  12.676
   50    HB3  PRO   6           HB3      PRO   6  10.395   1.345  11.891
   51    HG2  PRO   6           HG2      PRO   6   7.677   1.480  10.541
   52    HG3  PRO   6           HG3      PRO   6   9.110   2.523  10.254
   53    HD2  PRO   6           HD2      PRO   6   8.580   0.356   8.691
   54    HD3  PRO   6           HD3      PRO   6  10.251   0.814   9.126
   55    H    GLU   7           H        GLU   7   7.119  -1.127  10.458
   56    HA   GLU   7           HA       GLU   7   5.637  -1.769  12.940
   57    HB2  GLU   7           HB2      GLU   7   3.745  -0.543  12.124
   58    HB3  GLU   7           HB3      GLU   7   5.174   0.487  12.162
   59    HG2  GLU   7           HG2      GLU   7   5.452   0.203   9.706
   60    HG3  GLU   7           HG3      GLU   7   4.031  -0.844   9.663
   61    HA   PRO   8           HA       PRO   8   3.841  -4.763   9.559
   62    HB2  PRO   8           HB2      PRO   8   6.585  -5.784   8.814
   63    HB3  PRO   8           HB3      PRO   8   5.072  -5.814   7.856
   64    HG2  PRO   8           HG2      PRO   8   6.956  -3.948   7.322
   65    HG3  PRO   8           HG3      PRO   8   5.234  -3.452   7.415
   66    HD2  PRO   8           HD2      PRO   8   7.343  -3.233   9.579
   67    HD3  PRO   8           HD3      PRO   8   6.187  -1.989   8.998
   68    H    LYS   9           H        LYS   9   3.569  -7.023  10.157
   69    HA   LYS   9           HA       LYS   9   5.084  -7.864  12.593
   70    HB2  LYS   9           HB2      LYS   9   2.058  -7.722  12.224
   71    HB3  LYS   9           HB3      LYS   9   2.883  -8.424  13.625
   72    HG2  LYS   9           HG2      LYS   9   3.904  -6.218  14.140
   73    HG3  LYS   9           HG3      LYS   9   3.084  -5.530  12.729
   74    HD2  LYS   9           HD2      LYS   9   0.875  -6.063  13.742
   75    HD3  LYS   9           HD3      LYS   9   1.714  -6.666  15.181
   76    HE2  LYS   9           HE2      LYS   9   0.998  -4.384  15.594
   77    HE3  LYS   9           HE3      LYS   9   2.761  -4.436  15.515
   78    HZ1  LYS   9           HZ1      LYS   9   2.621  -3.559  13.240
   79    HZ2  LYS   9           HZ2      LYS   9   0.980  -3.530  13.322
   80    HZ3  LYS   9           HZ3      LYS   9   1.861  -2.561  14.290
   81    HA   PRO  10           HA       PRO  10   4.952 -11.981  10.769
   82    HB2  PRO  10           HB2      PRO  10   4.228 -12.806  13.586
   83    HB3  PRO  10           HB3      PRO  10   5.410 -13.549  12.461
   84    HG2  PRO  10           HG2      PRO  10   6.277 -11.939  14.452
   85    HG3  PRO  10           HG3      PRO  10   6.976 -11.781  12.807
   86    HD2  PRO  10           HD2      PRO  10   4.846 -10.072  14.112
   87    HD3  PRO  10           HD3      PRO  10   6.263  -9.578  13.133
   88    H    GLY  11           H        GLY  11   3.313 -13.030   9.755
   89    HA2  GLY  11           HA2      GLY  11   1.147 -13.942   9.572
   90    HA3  GLY  11           HA3      GLY  11   0.500 -12.678  10.636
   91    H    ASP  12           H        ASP  12   2.409 -10.679   9.031
   92    HA   ASP  12           HA       ASP  12   0.265  -9.791   7.353
   93    HB2  ASP  12           HB2      ASP  12   3.137  -8.877   7.694
   94    HB3  ASP  12           HB3      ASP  12   2.056  -8.160   6.504
   95    H    LEU  13           H        LEU  13   0.060  -9.595   5.156
   96    HA   LEU  13           HA       LEU  13   1.281 -11.750   3.561
   97    HB2  LEU  13           HB2      LEU  13  -0.639  -9.495   2.825
   98    HB3  LEU  13           HB3      LEU  13  -0.018 -10.692   1.709
   99    HG   LEU  13           HG       LEU  13  -2.055 -11.155   3.925
  100   HD11  LEU  13          HD11      LEU  13  -3.378 -11.974   2.105
  101   HD12  LEU  13          HD12      LEU  13  -2.782 -10.354   1.693
  102   HD13  LEU  13          HD13      LEU  13  -2.027 -11.782   0.962
  103   HD21  LEU  13          HD21      LEU  13  -0.334 -13.165   2.466
  104   HD22  LEU  13          HD22      LEU  13  -0.579 -12.996   4.216
  105   HD23  LEU  13          HD23      LEU  13  -1.908 -13.569   3.208
  106    H    ILE  14           H        ILE  14   2.813 -11.505   2.019
  107    HA   ILE  14           HA       ILE  14   4.006  -8.807   1.565
  108    HB   ILE  14           HB       ILE  14   5.331 -11.549   1.560
  109   HG12  ILE  14          HG12      ILE  14   4.924 -10.939   3.858
  110   HG13  ILE  14          HG13      ILE  14   6.635 -10.871   3.494
  111   HG21  ILE  14          HG21      ILE  14   7.482 -10.242   1.319
  112   HG22  ILE  14          HG22      ILE  14   6.433 -10.191  -0.094
  113   HG23  ILE  14          HG23      ILE  14   6.492  -8.798   0.990
  114   HD11  ILE  14          HD11      ILE  14   5.999  -8.996   4.918
  115   HD12  ILE  14          HD12      ILE  14   6.503  -8.376   3.338
  116   HD13  ILE  14          HD13      ILE  14   4.773  -8.472   3.755
  117    H    GLU  15           H        GLU  15   4.464  -8.348  -0.580
  118    HA   GLU  15           HA       GLU  15   3.893 -10.429  -2.589
  119    HB2  GLU  15           HB2      GLU  15   2.914  -8.897  -4.092
  120    HB3  GLU  15           HB3      GLU  15   2.010  -8.812  -2.574
  121    HG2  GLU  15           HG2      GLU  15   3.258  -6.711  -1.982
  122    HG3  GLU  15           HG3      GLU  15   4.153  -6.846  -3.491
  123    H    ILE  16           H        ILE  16   5.265 -10.267  -4.353
  124    HA   ILE  16           HA       ILE  16   7.902  -8.999  -3.794
  125    HB   ILE  16           HB       ILE  16   7.277 -11.723  -4.973
  126   HG12  ILE  16          HG12      ILE  16   6.641 -11.781  -2.573
  127   HG13  ILE  16          HG13      ILE  16   7.908 -12.891  -3.042
  128   HG21  ILE  16          HG21      ILE  16   9.371 -10.936  -5.792
  129   HG22  ILE  16          HG22      ILE  16   9.871 -10.381  -4.196
  130   HG23  ILE  16          HG23      ILE  16   9.746 -12.130  -4.547
  131   HD11  ILE  16          HD11      ILE  16   8.357 -11.867  -0.861
  132   HD12  ILE  16          HD12      ILE  16   9.621 -11.446  -2.029
  133   HD13  ILE  16          HD13      ILE  16   8.362 -10.261  -1.611
  134    H    PHE  17           H        PHE  17   8.591  -7.827  -5.491
  135    HA   PHE  17           HA       PHE  17   7.162  -7.886  -8.110
  136    HB2  PHE  17           HB2      PHE  17   9.359  -6.205  -6.893
  137    HB3  PHE  17           HB3      PHE  17   9.330  -6.403  -8.631
  138    HD1  PHE  17           HD2      PHE  17   7.260  -5.809  -9.968
  139    HD2  PHE  17           HD1      PHE  17   7.855  -4.576  -5.875
  140    HE1  PHE  17           HE2      PHE  17   5.647  -3.954 -10.290
  141    HE2  PHE  17           HE1      PHE  17   6.297  -2.674  -6.232
  142    HZ   PHE  17           HZ       PHE  17   5.171  -2.375  -8.427
  143    H    ARG  18           H        ARG  18   7.893  -9.154  -9.856
  144    HA   ARG  18           HA       ARG  18  10.593 -10.364  -9.631
  145    HB2  ARG  18           HB2      ARG  18   7.887 -11.712 -10.104
  146    HB3  ARG  18           HB3      ARG  18   9.393 -12.457 -10.589
  147    HG2  ARG  18           HG2      ARG  18  10.036 -11.781  -8.021
  148    HG3  ARG  18           HG3      ARG  18   8.295 -11.976  -7.836
  149    HD2  ARG  18           HD2      ARG  18   8.400 -14.248  -8.516
  150    HD3  ARG  18           HD3      ARG  18  10.032 -14.046  -9.218
  151    HE   ARG  18           HE       ARG  18  10.792 -13.571  -6.847
  152   HH11  ARG  18          HH21      ARG  18   8.423 -16.080  -7.749
  153   HH12  ARG  18          HH22      ARG  18   8.807 -17.070  -6.374
  154   HH21  ARG  18          HH11      ARG  18  11.218 -14.871  -5.028
  155   HH22  ARG  18          HH12      ARG  18  10.594 -16.511  -5.018
  156    HA   PRO  19           HA       PRO  19  11.382  -8.935 -13.469
  157    HB2  PRO  19           HB2      PRO  19  12.482 -10.985 -15.021
  158    HB3  PRO  19           HB3      PRO  19  13.299 -10.091 -13.708
  159    HG2  PRO  19           HG2      PRO  19  11.879 -12.761 -13.542
  160    HG3  PRO  19           HG3      PRO  19  13.475 -12.304 -12.865
  161    HD2  PRO  19           HD2      PRO  19  11.305 -12.344 -11.293
  162    HD3  PRO  19           HD3      PRO  19  12.466 -10.995 -11.158
  163    H    PHE  20           H        PHE  20   9.114 -11.616 -13.723
  164    HA   PHE  20           HA       PHE  20   8.058 -10.441 -16.264
  165    HB2  PHE  20           HB2      PHE  20   8.425 -13.389 -15.603
  166    HB3  PHE  20           HB3      PHE  20   7.663 -12.757 -17.052
  167    HD1  PHE  20           HD2      PHE  20   9.032 -11.379 -18.706
  168    HD2  PHE  20           HD1      PHE  20  10.820 -13.629 -15.490
  169    HE1  PHE  20           HE2      PHE  20  11.227 -11.295 -19.862
  170    HE2  PHE  20           HE1      PHE  20  13.012 -13.543 -16.648
  171    HZ   PHE  20           HZ       PHE  20  13.221 -12.376 -18.837
  172    H    TYR  21           H        TYR  21   7.234 -10.790 -13.106
  173    HA   TYR  21           HA       TYR  21   4.437 -10.809 -13.452
  174    HB2  TYR  21           HB2      TYR  21   3.741 -12.861 -12.593
  175    HB3  TYR  21           HB3      TYR  21   4.842 -13.265 -13.869
  176    HD1  TYR  21           HD2      TYR  21   7.536 -13.071 -12.339
  177    HD2  TYR  21           HD1      TYR  21   3.717 -14.794 -11.298
  178    HE1  TYR  21           HE2      TYR  21   8.668 -14.774 -10.976
  179    HE2  TYR  21           HE1      TYR  21   4.845 -16.426  -9.837
  180    HH   TYR  21           HH       TYR  21   6.891 -17.272  -9.112
  181    H    ARG  22           H        ARG  22   3.715 -11.698 -10.849
  182    HA   ARG  22           HA       ARG  22   5.572 -10.407  -8.977
  183    HB2  ARG  22           HB2      ARG  22   3.765  -9.213  -7.811
  184    HB3  ARG  22           HB3      ARG  22   3.998  -8.621  -9.448
  185    HG2  ARG  22           HG2      ARG  22   1.738  -8.708  -9.518
  186    HG3  ARG  22           HG3      ARG  22   2.009 -10.375  -9.976
  187    HD2  ARG  22           HD2      ARG  22   0.432 -10.631  -8.308
  188    HD3  ARG  22           HD3      ARG  22   1.911 -10.858  -7.379
  189    HE   ARG  22           HE       ARG  22   1.476  -8.867  -6.243
  190   HH11  ARG  22          HH21      ARG  22  -0.693  -9.028  -9.067
  191   HH12  ARG  22          HH22      ARG  22  -1.660  -7.697  -8.565
  192   HH21  ARG  22          HH11      ARG  22   0.185  -7.096  -5.583
  193   HH22  ARG  22          HH12      ARG  22  -1.131  -6.553  -6.577
  194    H    HIS  23           H        HIS  23   5.295 -11.298  -6.848
  195    HA   HIS  23           HA       HIS  23   3.846 -13.908  -6.836
  196    HB2  HIS  23           HB2      HIS  23   6.153 -14.306  -7.521
  197    HB3  HIS  23           HB3      HIS  23   6.776 -13.393  -6.155
  198    HD2  HIS  23           HD2      HIS  23   7.690 -14.988  -4.319
  199    HE1  HIS  23           HE1      HIS  23   4.887 -18.165  -4.681
  200    HE2  HIS  23           HE2      HIS  23   6.957 -17.353  -3.447
  201    H    TRP  24           H        TRP  24   3.955 -14.840  -4.467
  202    HA   TRP  24           HA       TRP  24   3.349 -12.637  -2.557
  203    HB2  TRP  24           HB2      TRP  24   1.479 -14.792  -3.580
  204    HB3  TRP  24           HB3      TRP  24   1.250 -14.014  -2.031
  205    HD1  TRP  24           HD1      TRP  24   1.143 -13.182  -5.780
  206    HE1  TRP  24           HE1      TRP  24  -0.223 -11.044  -6.105
  207    HE3  TRP  24           HE3      TRP  24   0.494 -11.929  -0.895
  208    HZ2  TRP  24           HZ2      TRP  24  -1.547  -9.067  -4.420
  209    HZ3  TRP  24           HZ3      TRP  24  -0.874  -9.946  -0.262
  210    HH2  TRP  24           HH2      TRP  24  -1.909  -8.530  -2.007
  211    H    ALA  25           H        ALA  25   3.518 -13.185  -0.428
  212    HA   ALA  25           HA       ALA  25   4.223 -15.900   0.430
  213    HB1  ALA  25           HB1      ALA  25   6.120 -13.516   0.757
  214    HB2  ALA  25           HB2      ALA  25   6.346 -15.149   1.410
  215    HB3  ALA  25           HB3      ALA  25   6.388 -14.887  -0.338
  216    H    ILE  26           H        ILE  26   4.491 -15.806   2.934
  217    HA   ILE  26           HA       ILE  26   3.001 -13.531   4.131
  218    HB   ILE  26           HB       ILE  26   1.624 -15.570   3.700
  219   HG12  ILE  26          HG12      ILE  26   1.909 -14.912   6.658
  220   HG13  ILE  26          HG13      ILE  26   1.168 -13.837   5.463
  221   HG21  ILE  26          HG21      ILE  26   1.816 -17.577   5.006
  222   HG22  ILE  26          HG22      ILE  26   3.312 -17.317   4.142
  223   HG23  ILE  26          HG23      ILE  26   3.224 -16.942   5.877
  224   HD11  ILE  26          HD11      ILE  26  -0.365 -15.760   4.815
  225   HD12  ILE  26          HD12      ILE  26   0.234 -16.608   6.256
  226   HD13  ILE  26          HD13      ILE  26  -0.634 -15.065   6.433
  227    H    TYR  27           H        TYR  27   3.924 -12.712   5.934
  228    HA   TYR  27           HA       TYR  27   6.694 -13.404   6.472
  229    HB2  TYR  27           HB2      TYR  27   5.540 -11.096   6.276
  230    HB3  TYR  27           HB3      TYR  27   4.839 -11.414   7.846
  231    HD1  TYR  27           HD1      TYR  27   8.291 -11.752   6.297
  232    HD2  TYR  27           HD2      TYR  27   5.871 -10.064   9.432
  233    HE1  TYR  27           HE1      TYR  27  10.261 -10.525   7.149
  234    HE2  TYR  27           HE2      TYR  27   7.842  -8.863  10.328
  235    HH   TYR  27           HH       TYR  27  10.106  -8.376  10.024
  236    H    VAL  28           H        VAL  28   7.405 -14.683   8.161
  237    HA   VAL  28           HA       VAL  28   5.424 -15.345  10.298
  238    HB   VAL  28           HB       VAL  28   5.955 -17.707  10.144
  239   HG11  VAL  28          HG11      VAL  28   4.030 -16.832   8.819
  240   HG12  VAL  28          HG12      VAL  28   5.093 -16.736   7.402
  241   HG13  VAL  28          HG13      VAL  28   4.754 -18.304   8.148
  242   HG21  VAL  28          HG21      VAL  28   7.235 -18.709   8.388
  243   HG22  VAL  28          HG22      VAL  28   7.531 -17.142   7.605
  244   HG23  VAL  28          HG23      VAL  28   8.268 -17.524   9.173
  245    H    GLY  29           H        GLY  29   8.795 -14.741   9.565
  246    HA2  GLY  29           HA2      GLY  29   9.473 -15.374  12.413
  247    HA3  GLY  29           HA3      GLY  29  10.362 -16.109  11.077
  248    H    ASP  30           H        ASP  30   9.078 -12.807  11.470
  249    HA   ASP  30           HA       ASP  30  10.008 -10.765  11.194
  250    HB2  ASP  30           HB2      ASP  30  10.251 -11.343  13.566
  251    HB3  ASP  30           HB3      ASP  30  11.890 -11.923  13.263
  252    H    GLY  31           H        GLY  31  10.825 -12.312   9.081
  253    HA2  GLY  31           HA2      GLY  31  12.773 -11.181   7.641
  254    HA3  GLY  31           HA3      GLY  31  13.736 -12.198   8.735
  255    H    TYR  32           H        TYR  32  11.774 -14.372   8.967
  256    HA   TYR  32           HA       TYR  32  12.116 -15.621   6.299
  257    HB2  TYR  32           HB2      TYR  32  11.383 -16.703   9.031
  258    HB3  TYR  32           HB3      TYR  32  11.189 -17.646   7.562
  259    HD1  TYR  32           HD1      TYR  32  13.713 -15.988   9.750
  260    HD2  TYR  32           HD2      TYR  32  13.056 -18.559   6.343
  261    HE1  TYR  32           HE1      TYR  32  16.115 -16.594   9.745
  262    HE2  TYR  32           HE2      TYR  32  15.451 -19.172   6.332
  263    HH   TYR  32           HH       TYR  32  17.530 -18.872   7.347
  264    H    VAL  33           H        VAL  33  10.459 -16.606   5.178
  265    HA   VAL  33           HA       VAL  33   7.678 -15.771   5.770
  266    HB   VAL  33           HB       VAL  33   7.436 -15.510   3.257
  267   HG11  VAL  33          HG11      VAL  33   7.317 -13.523   4.472
  268   HG12  VAL  33          HG12      VAL  33   9.062 -13.505   4.815
  269   HG13  VAL  33          HG13      VAL  33   8.443 -13.201   3.168
  270   HG21  VAL  33          HG21      VAL  33  10.464 -15.244   3.246
  271   HG22  VAL  33          HG22      VAL  33   9.556 -16.595   2.549
  272   HG23  VAL  33          HG23      VAL  33   9.362 -14.971   1.881
  273    H    VAL  34           H        VAL  34   6.103 -17.104   4.684
  274    HA   VAL  34           HA       VAL  34   7.037 -19.762   3.727
  275    HB   VAL  34           HB       VAL  34   4.604 -18.890   5.321
  276   HG11  VAL  34          HG11      VAL  34   3.655 -21.170   5.005
  277   HG12  VAL  34          HG12      VAL  34   3.620 -20.191   3.536
  278   HG13  VAL  34          HG13      VAL  34   4.857 -21.463   3.725
  279   HG21  VAL  34          HG21      VAL  34   6.588 -21.163   5.637
  280   HG22  VAL  34          HG22      VAL  34   6.650 -19.606   6.481
  281   HG23  VAL  34          HG23      VAL  34   5.309 -20.723   6.787
  282    H    HIS  35           H        HIS  35   6.285 -20.334   1.665
  283    HA   HIS  35           HA       HIS  35   4.302 -18.709   0.297
  284    HB2  HIS  35           HB2      HIS  35   5.673 -17.689  -1.341
  285    HB3  HIS  35           HB3      HIS  35   6.375 -17.260   0.203
  286    HD2  HIS  35           HD2      HIS  35   8.202 -20.049   0.503
  287    HE1  HIS  35           HE1      HIS  35  10.113 -18.512  -2.966
  288    HE2  HIS  35           HE2      HIS  35  10.345 -20.129  -1.042
  289    H    LEU  36           H        LEU  36   4.211 -19.397  -2.124
  290    HA   LEU  36           HA       LEU  36   4.647 -22.324  -2.323
  291    HB2  LEU  36           HB2      LEU  36   3.205 -20.276  -4.051
  292    HB3  LEU  36           HB3      LEU  36   3.725 -21.804  -4.723
  293    HG   LEU  36           HG       LEU  36   1.405 -21.939  -4.180
  294   HD11  LEU  36          HD11      LEU  36   1.362 -23.951  -2.804
  295   HD12  LEU  36          HD12      LEU  36   2.762 -24.006  -3.890
  296   HD13  LEU  36          HD13      LEU  36   2.973 -23.623  -2.174
  297   HD21  LEU  36          HD21      LEU  36   2.136 -21.434  -1.267
  298   HD22  LEU  36          HD22      LEU  36   1.332 -20.273  -2.351
  299   HD23  LEU  36          HD23      LEU  36   0.542 -21.806  -1.935
  300    H    ALA  37           H        ALA  37   6.149 -23.189  -3.678
  301    HA   ALA  37           HA       ALA  37   7.852 -21.479  -5.382
  302    HB1  ALA  37           HB1      ALA  37   9.023 -21.543  -3.218
  303    HB2  ALA  37           HB2      ALA  37   8.771 -23.300  -3.109
  304    HB3  ALA  37           HB3      ALA  37   9.862 -22.640  -4.336
  305    HA   PRO  38           HA       PRO  38   7.619 -25.317  -7.747
  306    HB2  PRO  38           HB2      PRO  38  10.081 -25.512  -8.947
  307    HB3  PRO  38           HB3      PRO  38   8.802 -24.389  -9.485
  308    HG2  PRO  38           HG2      PRO  38  11.160 -23.772  -7.676
  309    HG3  PRO  38           HG3      PRO  38  10.568 -22.844  -9.089
  310    HD2  PRO  38           HD2      PRO  38   9.916 -22.174  -6.531
  311    HD3  PRO  38           HD3      PRO  38   8.732 -21.998  -7.857
  312    HA   PRO  39           HA       PRO  39   9.021 -28.376  -4.928
  313    HB2  PRO  39           HB2      PRO  39   9.942 -30.002  -7.314
  314    HB3  PRO  39           HB3      PRO  39   8.992 -30.539  -5.894
  315    HG2  PRO  39           HG2      PRO  39   7.741 -29.998  -8.232
  316    HG3  PRO  39           HG3      PRO  39   7.034 -29.415  -6.691
  317    HD2  PRO  39           HD2      PRO  39   8.647 -27.865  -8.724
  318    HD3  PRO  39           HD3      PRO  39   7.181 -27.380  -7.819
  319    H    SER  40           H        SER  40  11.326 -27.653  -7.529
  320    HA   SER  40           HA       SER  40  13.547 -27.438  -5.621
  321    HB2  SER  40           HB2      SER  40  13.740 -28.916  -8.288
  322    HB3  SER  40           HB3      SER  40  15.068 -28.605  -7.158
  323    HG   SER  40           HG       SER  40  14.219 -30.728  -6.964
  324    H    GLU  41           H        GLU  41  15.341 -26.166  -6.843
  325    HA   GLU  41           HA       GLU  41  14.101 -23.775  -7.776
  326    HB2  GLU  41           HB2      GLU  41  16.470 -22.901  -7.726
  327    HB3  GLU  41           HB3      GLU  41  15.844 -23.586  -6.245
  328    HG2  GLU  41           HG2      GLU  41  18.135 -24.219  -6.487
  329    HG3  GLU  41           HG3      GLU  41  17.130 -25.649  -6.563
  330    H    VAL  42           H        VAL  42  13.581 -25.765  -9.707
  331    HA   VAL  42           HA       VAL  42  15.255 -26.018 -11.896
  332    HB   VAL  42           HB       VAL  42  13.145 -26.404 -13.212
  333   HG11  VAL  42          HG11      VAL  42  13.298 -27.854 -10.522
  334   HG12  VAL  42          HG12      VAL  42  12.550 -28.465 -12.011
  335   HG13  VAL  42          HG13      VAL  42  14.301 -28.213 -11.945
  336   HG21  VAL  42          HG21      VAL  42  11.582 -24.883 -12.069
  337   HG22  VAL  42          HG22      VAL  42  10.991 -26.545 -12.085
  338   HG23  VAL  42          HG23      VAL  42  11.678 -25.875 -10.600
  339    H    ALA  43           H        ALA  43  13.317 -23.204 -11.124
  340    HA   ALA  43           HA       ALA  43  14.170 -21.906 -13.659
  341    HB1  ALA  43           HB1      ALA  43  11.872 -21.139 -13.968
  342    HB2  ALA  43           HB2      ALA  43  11.910 -22.917 -13.825
  343    HB3  ALA  43           HB3      ALA  43  11.375 -21.929 -12.447
  344    H    GLY  44           H        GLY  44  14.763 -21.814 -10.543
  345    HA2  GLY  44           HA2      GLY  44  15.988 -19.552 -10.168
  346    HA3  GLY  44           HA3      GLY  44  14.335 -18.938 -10.003
  347    H    ALA  45           H        ALA  45  16.301 -18.942  -7.910
  348    HA   ALA  45           HA       ALA  45  15.851 -21.088  -6.039
  349    HB1  ALA  45           HB1      ALA  45  16.941 -19.559  -4.430
  350    HB2  ALA  45           HB2      ALA  45  17.867 -19.699  -5.936
  351    HB3  ALA  45           HB3      ALA  45  16.885 -18.247  -5.626
  352    H    GLY  46           H        GLY  46  13.718 -21.475  -5.591
  353    HA2  GLY  46           HA2      GLY  46  11.597 -21.190  -4.797
  354    HA3  GLY  46           HA3      GLY  46  12.178 -19.782  -3.888
  355    H    ALA  47           H        ALA  47  12.255 -20.197  -7.477
  356    HA   ALA  47           HA       ALA  47  10.159 -18.188  -7.842
  357    HB1  ALA  47           HB1      ALA  47  11.668 -16.597  -8.978
  358    HB2  ALA  47           HB2      ALA  47  12.236 -16.862  -7.321
  359    HB3  ALA  47           HB3      ALA  47  13.055 -17.660  -8.671
  360    H    ALA  48           H        ALA  48   9.985 -17.600 -10.192
  361    HA   ALA  48           HA       ALA  48  10.913 -19.557 -12.133
  362    HB1  ALA  48           HB1      ALA  48   8.772 -20.548 -11.309
  363    HB2  ALA  48           HB2      ALA  48   7.937 -19.019 -11.667
  364    HB3  ALA  48           HB3      ALA  48   8.627 -19.995 -12.983
  365    H    SER  49           H        SER  49  10.032 -18.707 -14.350
  366    HA   SER  49           HA       SER  49  10.023 -15.722 -14.407
  367    HB2  SER  49           HB2      SER  49  11.599 -17.639 -16.178
  368    HB3  SER  49           HB3      SER  49  11.608 -15.872 -16.286
  369    HG   SER  49           HG       SER  49  13.394 -16.723 -15.099
  370    H    VAL  50           H        VAL  50   7.738 -17.586 -14.583
  371    HA   VAL  50           HA       VAL  50   6.051 -18.314 -15.864
  372    HB   VAL  50           HB       VAL  50   6.428 -15.862 -17.619
  373   HG11  VAL  50          HG11      VAL  50   4.563 -17.415 -18.223
  374   HG12  VAL  50          HG12      VAL  50   3.932 -17.291 -16.571
  375   HG13  VAL  50          HG13      VAL  50   3.958 -15.868 -17.635
  376   HG21  VAL  50          HG21      VAL  50   5.061 -14.609 -15.955
  377   HG22  VAL  50          HG22      VAL  50   5.216 -15.963 -14.816
  378   HG23  VAL  50          HG23      VAL  50   6.642 -15.029 -15.316
  379    H    MET  51           H        MET  51   8.428 -19.542 -16.330
  380    HA   MET  51           HA       MET  51   8.260 -20.534 -19.066
  381    HB2  MET  51           HB2      MET  51   9.760 -18.449 -19.085
  382    HB3  MET  51           HB3      MET  51  10.869 -19.318 -18.035
  383    HG2  MET  51           HG2      MET  51  11.568 -19.405 -20.382
  384    HG3  MET  51           HG3      MET  51  11.231 -21.013 -19.771
  385    HE1  MET  51           HE1      MET  51  10.062 -18.083 -22.093
  386    HE2  MET  51           HE2      MET  51   8.563 -18.714 -22.809
  387    HE3  MET  51           HE3      MET  51   8.598 -18.257 -21.095
  388    H    SER  52           H        SER  52   7.492 -21.718 -16.711
  389    HA   SER  52           HA       SER  52   9.406 -23.064 -15.190
  390    HB2  SER  52           HB2      SER  52   6.590 -24.023 -15.815
  391    HB3  SER  52           HB3      SER  52   7.531 -24.277 -14.330
  392    HG   SER  52           HG       SER  52   6.024 -22.590 -14.064
  393    H    ALA  53           H        ALA  53   9.659 -25.467 -15.054
  394    HA   ALA  53           HA       ALA  53  10.834 -26.376 -17.525
  395    HB1  ALA  53           HB1      ALA  53  11.789 -28.124 -16.081
  396    HB2  ALA  53           HB2      ALA  53  11.960 -26.530 -15.333
  397    HB3  ALA  53           HB3      ALA  53  10.702 -27.652 -14.756
  398    H    LEU  54           H        LEU  54   8.142 -26.293 -18.016
  399    HA   LEU  54           HA       LEU  54   6.205 -27.294 -18.422
  400    HB2  LEU  54           HB2      LEU  54   7.626 -28.208 -20.228
  401    HB3  LEU  54           HB3      LEU  54   7.902 -29.652 -19.246
  402    HG   LEU  54           HG       LEU  54   5.367 -30.001 -19.212
  403   HD11  LEU  54          HD11      LEU  54   4.057 -28.915 -21.023
  404   HD12  LEU  54          HD12      LEU  54   4.579 -27.758 -19.803
  405   HD13  LEU  54          HD13      LEU  54   5.429 -27.840 -21.362
  406   HD21  LEU  54          HD21      LEU  54   5.304 -30.960 -21.484
  407   HD22  LEU  54          HD22      LEU  54   6.734 -30.005 -21.940
  408   HD23  LEU  54          HD23      LEU  54   6.862 -31.279 -20.709
  409    H    THR  55           H        THR  55   5.574 -27.186 -16.293
  410    HA   THR  55           HA       THR  55   5.213 -29.689 -14.798
  411    HB   THR  55           HB       THR  55   5.949 -28.208 -12.743
  412    HG1  THR  55           HG1      THR  55   6.358 -26.282 -13.782
  413   HG21  THR  55          HG21      THR  55   8.259 -28.977 -12.878
  414   HG22  THR  55          HG22      THR  55   7.158 -30.242 -13.449
  415   HG23  THR  55          HG23      THR  55   8.090 -29.284 -14.618
  416    H    ASP  56           H        ASP  56   3.455 -29.395 -13.202
  417    HA   ASP  56           HA       ASP  56   1.932 -26.897 -13.497
  418    HB2  ASP  56           HB2      ASP  56   1.173 -28.585 -15.227
  419    HB3  ASP  56           HB3      ASP  56   0.617 -29.603 -13.890
  420    H    LYS  57           H        LYS  57   3.519 -27.933 -11.358
  421    HA   LYS  57           HA       LYS  57   1.506 -28.089  -9.201
  422    HB2  LYS  57           HB2      LYS  57   2.601 -29.950  -8.212
  423    HB3  LYS  57           HB3      LYS  57   2.360 -30.345  -9.923
  424    HG2  LYS  57           HG2      LYS  57   4.758 -29.640 -10.336
  425    HG3  LYS  57           HG3      LYS  57   4.960 -29.496  -8.583
  426    HD2  LYS  57           HD2      LYS  57   4.179 -32.027 -10.089
  427    HD3  LYS  57           HD3      LYS  57   5.800 -31.639  -9.496
  428    HE2  LYS  57           HE2      LYS  57   4.932 -31.583  -7.157
  429    HE3  LYS  57           HE3      LYS  57   3.321 -32.008  -7.749
  430    HZ1  LYS  57           HZ1      LYS  57   4.245 -34.104  -8.564
  431    HZ2  LYS  57           HZ2      LYS  57   5.732 -33.714  -8.010
  432    HZ3  LYS  57           HZ3      LYS  57   4.510 -33.956  -6.963
  433    H    ALA  58           H        ALA  58   2.463 -27.590  -7.114
  434    HA   ALA  58           HA       ALA  58   5.082 -26.232  -7.057
  435    HB1  ALA  58           HB1      ALA  58   2.519 -24.891  -6.076
  436    HB2  ALA  58           HB2      ALA  58   4.169 -24.244  -5.958
  437    HB3  ALA  58           HB3      ALA  58   3.393 -24.444  -7.540
  438    H    ILE  59           H        ILE  59   5.512 -25.616  -4.636
  439    HA   ILE  59           HA       ILE  59   4.267 -27.487  -2.720
  440    HB   ILE  59           HB       ILE  59   7.180 -27.389  -3.551
  441   HG12  ILE  59          HG12      ILE  59   5.207 -29.553  -2.810
  442   HG13  ILE  59          HG13      ILE  59   5.758 -29.164  -4.447
  443   HG21  ILE  59          HG21      ILE  59   7.883 -28.504  -1.452
  444   HG22  ILE  59          HG22      ILE  59   7.271 -26.907  -1.118
  445   HG23  ILE  59          HG23      ILE  59   6.237 -28.325  -0.802
  446   HD11  ILE  59          HD11      ILE  59   8.089 -29.904  -3.646
  447   HD12  ILE  59          HD12      ILE  59   7.256 -30.553  -2.212
  448   HD13  ILE  59          HD13      ILE  59   6.852 -31.169  -3.821
  449    H    VAL  60           H        VAL  60   4.385 -26.737  -0.612
  450    HA   VAL  60           HA       VAL  60   4.696 -23.776  -0.404
  451    HB   VAL  60           HB       VAL  60   3.820 -25.802   1.682
  452   HG11  VAL  60          HG11      VAL  60   4.712 -23.655   2.627
  453   HG12  VAL  60          HG12      VAL  60   3.558 -22.751   1.630
  454   HG13  VAL  60          HG13      VAL  60   2.981 -23.832   2.919
  455   HG21  VAL  60          HG21      VAL  60   2.151 -25.716  -0.155
  456   HG22  VAL  60          HG22      VAL  60   1.527 -24.968   1.320
  457   HG23  VAL  60          HG23      VAL  60   2.085 -23.943  -0.012
  458    H    LYS  61           H        LYS  61   6.595 -22.920   0.339
  459    HA   LYS  61           HA       LYS  61   8.494 -24.674   1.845
  460    HB2  LYS  61           HB2      LYS  61   9.092 -22.716  -0.422
  461    HB3  LYS  61           HB3      LYS  61  10.316 -23.233   0.742
  462    HG2  LYS  61           HG2      LYS  61   9.866 -25.606   0.157
  463    HG3  LYS  61           HG3      LYS  61   8.778 -25.043  -1.141
  464    HD2  LYS  61           HD2      LYS  61  10.798 -23.649  -1.975
  465    HD3  LYS  61           HD3      LYS  61  11.793 -24.606  -0.890
  466    HE2  LYS  61           HE2      LYS  61  10.006 -25.765  -3.091
  467    HE3  LYS  61           HE3      LYS  61  11.701 -25.361  -3.319
  468    HZ1  LYS  61           HZ1      LYS  61  10.705 -27.403  -1.418
  469    HZ2  LYS  61           HZ2      LYS  61  11.455 -27.683  -2.852
  470    HZ3  LYS  61           HZ3      LYS  61  12.277 -26.991  -1.622
  471    H    LYS  62           H        LYS  62  10.046 -23.368   3.066
  472    HA   LYS  62           HA       LYS  62   8.988 -20.744   3.978
  473    HB2  LYS  62           HB2      LYS  62   8.417 -22.486   5.656
  474    HB3  LYS  62           HB3      LYS  62  10.106 -22.989   5.729
  475    HG2  LYS  62           HG2      LYS  62  10.747 -20.768   6.627
  476    HG3  LYS  62           HG3      LYS  62   9.058 -20.230   6.515
  477    HD2  LYS  62           HD2      LYS  62   8.368 -21.997   8.093
  478    HD3  LYS  62           HD3      LYS  62  10.042 -22.589   8.184
  479    HE2  LYS  62           HE2      LYS  62  10.768 -20.412   9.124
  480    HE3  LYS  62           HE3      LYS  62   9.109 -19.803   9.001
  481    HZ1  LYS  62           HZ1      LYS  62   9.988 -22.057  10.708
  482    HZ2  LYS  62           HZ2      LYS  62   9.534 -20.579  11.228
  483    HZ3  LYS  62           HZ3      LYS  62   8.428 -21.581  10.534
  484    H    GLU  63           H        GLU  63  10.624 -19.197   3.845
  485    HA   GLU  63           HA       GLU  63  13.441 -19.989   3.597
  486    HB2  GLU  63           HB2      GLU  63  11.813 -18.884   1.256
  487    HB3  GLU  63           HB3      GLU  63  13.580 -18.860   1.332
  488    HG2  GLU  63           HG2      GLU  63  13.553 -21.369   1.576
  489    HG3  GLU  63           HG3      GLU  63  11.808 -21.331   1.290
  490    H    LEU  64           H        LEU  64  14.790 -17.992   3.301
  491    HA   LEU  64           HA       LEU  64  13.925 -15.898   5.084
  492    HB2  LEU  64           HB2      LEU  64  16.300 -16.723   4.798
  493    HB3  LEU  64           HB3      LEU  64  16.297 -16.058   3.164
  494    HG   LEU  64           HG       LEU  64  15.877 -13.761   4.197
  495   HD11  LEU  64          HD11      LEU  64  16.615 -15.219   6.779
  496   HD12  LEU  64          HD12      LEU  64  16.432 -13.463   6.582
  497   HD13  LEU  64          HD13      LEU  64  15.028 -14.520   6.423
  498   HD21  LEU  64          HD21      LEU  64  18.253 -13.496   4.886
  499   HD22  LEU  64          HD22      LEU  64  18.418 -15.261   4.961
  500   HD23  LEU  64          HD23      LEU  64  18.090 -14.458   3.410
  501    H    LEU  65           H        LEU  65  12.878 -13.995   4.544
  502    HA   LEU  65           HA       LEU  65  11.626 -13.613   2.070
  503    HB2  LEU  65           HB2      LEU  65  10.999 -12.564   4.225
  504    HB3  LEU  65           HB3      LEU  65  12.382 -11.487   4.135
  505    HG   LEU  65           HG       LEU  65  10.310 -11.574   1.905
  506   HD11  LEU  65          HD11      LEU  65   9.126  -9.701   3.057
  507   HD12  LEU  65          HD12      LEU  65   9.090 -11.158   4.048
  508   HD13  LEU  65          HD13      LEU  65  10.220  -9.856   4.446
  509   HD21  LEU  65          HD21      LEU  65  12.123  -9.322   2.932
  510   HD22  LEU  65          HD22      LEU  65  12.321 -10.176   1.391
  511   HD23  LEU  65          HD23      LEU  65  10.918  -9.183   1.639
  512    H    TYR  66           H        TYR  66  14.676 -12.177   3.286
  513    HA   TYR  66           HA       TYR  66  15.066 -10.476   1.095
  514    HB2  TYR  66           HB2      TYR  66  17.259 -11.687   2.801
  515    HB3  TYR  66           HB3      TYR  66  17.266 -10.123   1.992
  516    HD1  TYR  66           HD2      TYR  66  14.854  -8.745   2.693
  517    HD2  TYR  66           HD1      TYR  66  17.145 -11.467   5.138
  518    HE1  TYR  66           HE2      TYR  66  13.835  -7.775   4.727
  519    HE2  TYR  66           HE1      TYR  66  16.136 -10.501   7.173
  520    HH   TYR  66           HH       TYR  66  14.657  -8.915   8.035
  521    H    ASP  67           H        ASP  67  15.457 -13.931   1.171
  522    HA   ASP  67           HA       ASP  67  17.146 -13.936  -1.275
  523    HB2  ASP  67           HB2      ASP  67  17.614 -15.650   0.415
  524    HB3  ASP  67           HB3      ASP  67  15.942 -16.216   0.335
  525    H    VAL  68           H        VAL  68  13.820 -14.786  -0.127
  526    HA   VAL  68           HA       VAL  68  12.755 -15.617  -2.605
  527    HB   VAL  68           HB       VAL  68  11.417 -14.268  -0.202
  528   HG11  VAL  68          HG11      VAL  68  10.117 -15.777  -2.513
  529   HG12  VAL  68          HG12      VAL  68   9.305 -15.282  -1.015
  530   HG13  VAL  68          HG13      VAL  68   9.910 -14.057  -2.129
  531   HG21  VAL  68          HG21      VAL  68  10.748 -16.613   0.346
  532   HG22  VAL  68          HG22      VAL  68  11.677 -17.203  -1.043
  533   HG23  VAL  68          HG23      VAL  68  12.502 -16.447   0.326
  534    H    ALA  69           H        ALA  69  13.074 -12.343  -1.234
  535    HA   ALA  69           HA       ALA  69  11.749 -11.068  -3.479
  536    HB1  ALA  69           HB1      ALA  69  11.538 -10.236  -1.138
  537    HB2  ALA  69           HB2      ALA  69  13.284  -9.890  -1.120
  538    HB3  ALA  69           HB3      ALA  69  12.214  -9.012  -2.231
  539    H    GLY  70           H        GLY  70  14.819 -12.375  -3.271
  540    HA2  GLY  70           HA2      GLY  70  16.570 -10.344  -4.124
  541    HA3  GLY  70           HA3      GLY  70  16.751 -12.083  -4.416
  542    H    SER  71           H        SER  71  14.024 -11.964  -5.913
  543    HA   SER  71           HA       SER  71  14.837 -11.810  -8.543
  544    HB2  SER  71           HB2      SER  71  12.076 -11.106  -7.530
  545    HB3  SER  71           HB3      SER  71  12.503 -11.963  -9.024
  546    HG   SER  71           HG       SER  71  13.261 -13.690  -7.676
  547    H    ASP  72           H        ASP  72  13.447  -9.184  -6.521
  548    HA   ASP  72           HA       ASP  72  14.811  -7.194  -8.043
  549    HB2  ASP  72           HB2      ASP  72  12.908  -7.507  -9.587
  550    HB3  ASP  72           HB3      ASP  72  11.791  -7.256  -8.254
  551    H    LYS  73           H        LYS  73  11.779  -7.280  -6.159
  552    HA   LYS  73           HA       LYS  73  12.850  -6.208  -3.739
  553    HB2  LYS  73           HB2      LYS  73  11.866  -3.967  -3.766
  554    HB3  LYS  73           HB3      LYS  73  13.039  -4.123  -5.060
  555    HG2  LYS  73           HG2      LYS  73  11.146  -4.539  -6.665
  556    HG3  LYS  73           HG3      LYS  73  10.009  -4.238  -5.348
  557    HD2  LYS  73           HD2      LYS  73  10.790  -1.965  -5.090
  558    HD3  LYS  73           HD3      LYS  73  12.095  -2.203  -6.258
  559    HE2  LYS  73           HE2      LYS  73   9.153  -2.556  -6.977
  560    HE3  LYS  73           HE3      LYS  73   9.961  -0.990  -7.065
  561    HZ1  LYS  73           HZ1      LYS  73   9.951  -2.193  -9.190
  562    HZ2  LYS  73           HZ2      LYS  73  11.462  -1.848  -8.692
  563    HZ3  LYS  73           HZ3      LYS  73  10.903  -3.379  -8.572
  564    H    TYR  74           H        TYR  74  10.613  -5.189  -2.503
  565    HA   TYR  74           HA       TYR  74   8.269  -6.811  -3.138
  566    HB2  TYR  74           HB2      TYR  74   8.324  -8.110  -1.139
  567    HB3  TYR  74           HB3      TYR  74   9.846  -8.371  -1.943
  568    HD1  TYR  74           HD2      TYR  74  11.938  -7.063  -0.999
  569    HD2  TYR  74           HD1      TYR  74   8.152  -7.226   1.071
  570    HE1  TYR  74           HE2      TYR  74  13.048  -6.333   1.079
  571    HE2  TYR  74           HE1      TYR  74   9.258  -6.499   3.158
  572    HH   TYR  74           HH       TYR  74  12.779  -5.804   3.335
  573    H    GLN  75           H        GLN  75   6.555  -6.453  -1.418
  574    HA   GLN  75           HA       GLN  75   6.998  -4.400   0.517
  575    HB2  GLN  75           HB2      GLN  75   5.079  -2.956  -0.135
  576    HB3  GLN  75           HB3      GLN  75   6.497  -2.779  -1.133
  577    HG2  GLN  75           HG2      GLN  75   4.154  -4.532  -1.951
  578    HG3  GLN  75           HG3      GLN  75   4.172  -2.804  -2.248
  579   HE21  GLN  75          HE22      GLN  75   3.909  -4.602  -4.344
  580   HE22  GLN  75          HE21      GLN  75   5.350  -4.499  -5.363
  581    H    VAL  76           H        VAL  76   5.128  -4.160   2.000
  582    HA   VAL  76           HA       VAL  76   3.777  -6.705   2.467
  583    HB   VAL  76           HB       VAL  76   3.392  -3.976   3.791
  584   HG11  VAL  76          HG11      VAL  76   2.499  -5.280   5.697
  585   HG12  VAL  76          HG12      VAL  76   1.534  -5.559   4.246
  586   HG13  VAL  76          HG13      VAL  76   2.708  -6.781   4.776
  587   HG21  VAL  76          HG21      VAL  76   4.842  -4.845   5.606
  588   HG22  VAL  76          HG22      VAL  76   5.223  -6.269   4.628
  589   HG23  VAL  76          HG23      VAL  76   5.737  -4.649   4.104
  590    H    ASN  77           H        ASN  77   1.625  -7.095   1.925
  591    HA   ASN  77           HA       ASN  77  -0.075  -4.912   0.978
  592    HB2  ASN  77           HB2      ASN  77   1.071  -5.559  -1.123
  593    HB3  ASN  77           HB3      ASN  77   0.473  -7.213  -0.932
  594   HD21  ASN  77          HD22      ASN  77  -0.397  -6.432  -3.207
  595   HD22  ASN  77          HD21      ASN  77  -2.009  -5.726  -3.180
  596    H    ASN  78           H        ASN  78  -0.737  -5.724   3.173
  597    HA   ASN  78           HA       ASN  78  -2.244  -8.171   3.456
  598    HB2  ASN  78           HB2      ASN  78  -2.355  -5.457   4.818
  599    HB3  ASN  78           HB3      ASN  78  -3.511  -6.731   5.145
  600   HD21  ASN  78          HD22      ASN  78  -1.252  -5.452   6.813
  601   HD22  ASN  78          HD21      ASN  78  -0.502  -6.878   7.516
  602    H    LYS  79           H        LYS  79  -3.980  -8.722   2.298
  603    HA   LYS  79           HA       LYS  79  -4.973  -6.914   0.330
  604    HB2  LYS  79           HB2      LYS  79  -4.717  -9.533   0.298
  605    HB3  LYS  79           HB3      LYS  79  -6.290  -9.539   1.089
  606    HG2  LYS  79           HG2      LYS  79  -6.781  -9.797  -1.191
  607    HG3  LYS  79           HG3      LYS  79  -7.102  -8.083  -0.905
  608    HD2  LYS  79           HD2      LYS  79  -4.762  -7.592  -1.810
  609    HD3  LYS  79           HD3      LYS  79  -4.614  -9.324  -2.177
  610    HE2  LYS  79           HE2      LYS  79  -6.741  -9.118  -3.551
  611    HE3  LYS  79           HE3      LYS  79  -6.670  -7.368  -3.294
  612    HZ1  LYS  79           HZ1      LYS  79  -4.639  -9.020  -4.695
  613    HZ2  LYS  79           HZ2      LYS  79  -5.678  -7.968  -5.388
  614    HZ3  LYS  79           HZ3      LYS  79  -4.498  -7.396  -4.420
  615    H    HIS  80           H        HIS  80  -6.350  -8.091   3.417
  616    HA   HIS  80           HA       HIS  80  -8.548  -6.098   3.217
  617    HB2  HIS  80           HB2      HIS  80  -8.991  -8.983   4.019
  618    HB3  HIS  80           HB3      HIS  80 -10.171  -7.695   3.808
  619    HD2  HIS  80           HD2      HIS  80  -8.456 -10.490   1.949
  620    HE1  HIS  80           HE1      HIS  80 -10.687  -8.384  -1.007
  621    HE2  HIS  80           HE2      HIS  80  -9.362 -10.503  -0.516
  622    H    ASP  81           H        ASP  81  -6.047  -6.292   4.970
  623    HA   ASP  81           HA       ASP  81  -6.952  -7.044   7.628
  624    HB2  ASP  81           HB2      ASP  81  -4.594  -6.946   6.977
  625    HB3  ASP  81           HB3      ASP  81  -4.703  -5.193   6.756
  626    H    ASP  82           H        ASP  82  -8.193  -4.776   5.674
  627    HA   ASP  82           HA       ASP  82  -8.672  -2.672   7.750
  628    HB2  ASP  82           HB2      ASP  82  -7.697  -1.898   5.604
  629    HB3  ASP  82           HB3      ASP  82  -9.056  -2.609   4.732
  630    H    LYS  83           H        LYS  83  -9.970  -5.481   6.412
  631    HA   LYS  83           HA       LYS  83 -12.796  -4.638   6.885
  632    HB2  LYS  83           HB2      LYS  83 -11.944  -6.680   4.819
  633    HB3  LYS  83           HB3      LYS  83 -13.502  -5.887   5.008
  634    HG2  LYS  83           HG2      LYS  83 -12.347  -3.706   4.320
  635    HG3  LYS  83           HG3      LYS  83 -10.889  -4.663   4.008
  636    HD2  LYS  83           HD2      LYS  83 -12.001  -4.325   1.908
  637    HD3  LYS  83           HD3      LYS  83 -12.099  -6.024   2.350
  638    HE2  LYS  83           HE2      LYS  83 -14.206  -5.365   1.406
  639    HE3  LYS  83           HE3      LYS  83 -14.452  -5.692   3.119
  640    HZ1  LYS  83           HZ1      LYS  83 -14.174  -2.994   1.911
  641    HZ2  LYS  83           HZ2      LYS  83 -15.569  -3.668   2.406
  642    HZ3  LYS  83           HZ3      LYS  83 -14.430  -3.284   3.503
  643    H    TYR  84           H        TYR  84 -10.332  -7.188   7.119
  644    HA   TYR  84           HA       TYR  84 -12.102  -8.789   8.888
  645    HB2  TYR  84           HB2      TYR  84 -10.624  -9.692   6.373
  646    HB3  TYR  84           HB3      TYR  84 -11.298 -10.797   7.560
  647    HD1  TYR  84           HD1      TYR  84 -13.846 -10.494   8.151
  648    HD2  TYR  84           HD2      TYR  84 -11.979  -9.093   4.528
  649    HE1  TYR  84           HE1      TYR  84 -16.063 -10.449   7.033
  650    HE2  TYR  84           HE2      TYR  84 -14.183  -9.037   3.397
  651    HH   TYR  84           HH       TYR  84 -16.473  -9.422   3.609
  652    H    SER  85           H        SER  85 -11.049 -10.080  10.319
  653    HA   SER  85           HA       SER  85  -8.307 -10.831  10.092
  654    HB2  SER  85           HB2      SER  85  -7.638  -9.876  12.357
  655    HB3  SER  85           HB3      SER  85  -7.559  -8.829  10.939
  656    HG   SER  85           HG       SER  85  -8.520  -7.761  12.721
  657    HA   PRO  86           HA       PRO  86 -11.355 -13.470  12.467
  658    HB2  PRO  86           HB2      PRO  86 -11.027 -15.771  10.978
  659    HB3  PRO  86           HB3      PRO  86 -12.238 -14.498  10.618
  660    HG2  PRO  86           HG2      PRO  86  -9.513 -14.925   9.374
  661    HG3  PRO  86           HG3      PRO  86 -11.067 -14.543   8.563
  662    HD2  PRO  86           HD2      PRO  86  -9.203 -12.631   9.101
  663    HD3  PRO  86           HD3      PRO  86 -10.959 -12.297   9.200
  664    H    LEU  87           H        LEU  87  -8.012 -13.544  11.636
  665    HA   LEU  87           HA       LEU  87  -7.405 -15.693  13.609
  666    HB2  LEU  87           HB2      LEU  87  -6.066 -15.118  10.935
  667    HB3  LEU  87           HB3      LEU  87  -5.514 -16.301  12.121
  668    HG   LEU  87           HG       LEU  87  -8.165 -16.409  10.616
  669   HD11  LEU  87          HD11      LEU  87  -5.594 -17.997  10.259
  670   HD12  LEU  87          HD12      LEU  87  -7.133 -18.290   9.411
  671   HD13  LEU  87          HD13      LEU  87  -6.255 -16.773   9.158
  672   HD21  LEU  87          HD21      LEU  87  -6.863 -18.437  12.496
  673   HD22  LEU  87          HD22      LEU  87  -8.364 -17.531  12.798
  674   HD23  LEU  87          HD23      LEU  87  -8.311 -18.727  11.505
  675    HA   PRO  88           HA       PRO  88  -4.681 -12.290  15.004
  676    HB2  PRO  88           HB2      PRO  88  -3.649 -13.470  17.238
  677    HB3  PRO  88           HB3      PRO  88  -5.321 -12.829  17.184
  678    HG2  PRO  88           HG2      PRO  88  -4.404 -15.684  16.763
  679    HG3  PRO  88           HG3      PRO  88  -5.716 -15.100  17.837
  680    HD2  PRO  88           HD2      PRO  88  -6.206 -16.071  15.332
  681    HD3  PRO  88           HD3      PRO  88  -7.161 -14.721  16.008
  682    H    CYS  89           H        CYS  89  -2.277 -12.199  15.381
  683    HA   CYS  89           HA       CYS  89  -0.789 -13.230  13.292
  684    HB2  CYS  89           HB2      CYS  89   1.207 -12.666  14.740
  685    HB3  CYS  89           HB3      CYS  89   0.051 -11.368  14.442
  686    HG   CYS  89           HG       CYS  89   0.956 -11.170  16.882
  687    H    SER  90           H        SER  90  -0.993 -14.624  16.598
  688    HA   SER  90           HA       SER  90   0.887 -16.653  16.316
  689    HB2  SER  90           HB2      SER  90  -0.591 -17.739  18.150
  690    HB3  SER  90           HB3      SER  90   0.081 -16.130  18.468
  691    HG   SER  90           HG       SER  90  -2.137 -16.228  18.991
  692    H    LYS  91           H        LYS  91  -2.638 -16.953  15.827
  693    HA   LYS  91           HA       LYS  91  -2.576 -19.607  14.850
  694    HB2  LYS  91           HB2      LYS  91  -4.614 -17.404  14.329
  695    HB3  LYS  91           HB3      LYS  91  -4.863 -19.105  13.955
  696    HG2  LYS  91           HG2      LYS  91  -4.438 -17.977  16.758
  697    HG3  LYS  91           HG3      LYS  91  -5.985 -18.427  16.039
  698    HD2  LYS  91           HD2      LYS  91  -5.166 -20.791  15.833
  699    HD3  LYS  91           HD3      LYS  91  -3.674 -20.310  16.681
  700    HE2  LYS  91           HE2      LYS  91  -5.014 -19.553  18.622
  701    HE3  LYS  91           HE3      LYS  91  -6.500 -20.022  17.789
  702    HZ1  LYS  91           HZ1      LYS  91  -5.721 -22.322  17.829
  703    HZ2  LYS  91           HZ2      LYS  91  -4.347 -21.889  18.609
  704    HZ3  LYS  91           HZ3      LYS  91  -5.791 -21.720  19.339
  705    H    ILE  92           H        ILE  92  -2.190 -16.496  13.078
  706    HA   ILE  92           HA       ILE  92  -2.343 -17.725  10.482
  707    HB   ILE  92           HB       ILE  92  -0.787 -15.256  11.344
  708   HG12  ILE  92          HG12      ILE  92  -3.415 -15.246   9.822
  709   HG13  ILE  92          HG13      ILE  92  -3.436 -15.347  11.569
  710   HG21  ILE  92          HG21      ILE  92  -1.532 -16.332   8.588
  711   HG22  ILE  92          HG22      ILE  92  -0.946 -14.688   8.864
  712   HG23  ILE  92          HG23      ILE  92   0.099 -16.064   9.223
  713   HD11  ILE  92          HD11      ILE  92  -3.623 -13.012  10.705
  714   HD12  ILE  92          HD12      ILE  92  -2.303 -13.268  11.846
  715   HD13  ILE  92          HD13      ILE  92  -1.939 -13.132  10.127
  716    H    ILE  93           H        ILE  93   0.453 -17.163  12.751
  717    HA   ILE  93           HA       ILE  93   2.351 -18.408  11.036
  718    HB   ILE  93           HB       ILE  93   2.454 -18.385  14.085
  719   HG12  ILE  93          HG12      ILE  93   2.321 -16.106  13.807
  720   HG13  ILE  93          HG13      ILE  93   4.030 -16.354  13.688
  721   HG21  ILE  93          HG21      ILE  93   4.085 -19.842  13.011
  722   HG22  ILE  93          HG22      ILE  93   4.613 -18.516  11.952
  723   HG23  ILE  93          HG23      ILE  93   4.896 -18.441  13.708
  724   HD11  ILE  93          HD11      ILE  93   2.096 -15.738  11.428
  725   HD12  ILE  93          HD12      ILE  93   3.509 -14.834  11.964
  726   HD13  ILE  93          HD13      ILE  93   3.724 -16.384  11.128
  727    H    GLN  94           H        GLN  94   0.386 -19.741  13.752
  728    HA   GLN  94           HA       GLN  94   1.361 -22.334  13.604
  729    HB2  GLN  94           HB2      GLN  94  -0.007 -22.742  15.279
  730    HB3  GLN  94           HB3      GLN  94  -0.395 -21.039  15.212
  731    HG2  GLN  94           HG2      GLN  94  -2.433 -22.162  15.435
  732    HG3  GLN  94           HG3      GLN  94  -2.372 -21.585  13.785
  733   HE21  GLN  94          HE22      GLN  94  -3.477 -23.088  12.532
  734   HE22  GLN  94          HE21      GLN  94  -3.092 -24.802  12.503
  735    H    ARG  95           H        ARG  95  -1.245 -20.889  11.636
  736    HA   ARG  95           HA       ARG  95  -1.943 -23.274  10.214
  737    HB2  ARG  95           HB2      ARG  95  -3.229 -21.058  10.345
  738    HB3  ARG  95           HB3      ARG  95  -2.027 -20.374   9.263
  739    HG2  ARG  95           HG2      ARG  95  -3.637 -20.915   7.776
  740    HG3  ARG  95           HG3      ARG  95  -2.684 -22.382   7.676
  741    HD2  ARG  95           HD2      ARG  95  -4.245 -23.591   9.087
  742    HD3  ARG  95           HD3      ARG  95  -5.108 -22.112   9.515
  743    HE   ARG  95           HE       ARG  95  -5.526 -23.749   7.204
  744   HH11  ARG  95          HH21      ARG  95  -5.713 -20.372   8.298
  745   HH12  ARG  95          HH22      ARG  95  -6.542 -19.836   6.872
  746   HH21  ARG  95          HH11      ARG  95  -7.006 -23.061   5.535
  747   HH22  ARG  95          HH12      ARG  95  -7.613 -21.433   5.547
  748    H    ALA  96           H        ALA  96   0.276 -20.544   9.309
  749    HA   ALA  96           HA       ALA  96   1.252 -21.614   6.950
  750    HB1  ALA  96           HB1      ALA  96   2.938 -20.099   8.990
  751    HB2  ALA  96           HB2      ALA  96   3.135 -20.138   7.228
  752    HB3  ALA  96           HB3      ALA  96   1.738 -19.318   7.943
  753    H    GLU  97           H        GLU  97   2.348 -22.319  10.249
  754    HA   GLU  97           HA       GLU  97   4.604 -23.903   9.536
  755    HB2  GLU  97           HB2      GLU  97   2.935 -23.650  12.063
  756    HB3  GLU  97           HB3      GLU  97   4.367 -24.666  11.980
  757    HG2  GLU  97           HG2      GLU  97   4.431 -21.697  11.293
  758    HG3  GLU  97           HG3      GLU  97   4.656 -22.306  12.929
  759    H    GLU  98           H        GLU  98   1.160 -24.734   9.944
  760    HA   GLU  98           HA       GLU  98   1.603 -27.591  10.041
  761    HB2  GLU  98           HB2      GLU  98  -0.788 -25.768   9.641
  762    HB3  GLU  98           HB3      GLU  98  -0.921 -27.501   9.313
  763    HG2  GLU  98           HG2      GLU  98  -0.049 -27.952  11.626
  764    HG3  GLU  98           HG3      GLU  98  -0.182 -26.228  11.970
  765    H    LEU  99           H        LEU  99   1.359 -25.135   7.566
  766    HA   LEU  99           HA       LEU  99   0.809 -27.126   5.423
  767    HB2  LEU  99           HB2      LEU  99   0.746 -24.106   5.454
  768    HB3  LEU  99           HB3      LEU  99   0.192 -25.149   4.146
  769    HG   LEU  99           HG       LEU  99  -0.980 -25.130   6.976
  770   HD11  LEU  99          HD11      LEU  99  -1.424 -23.051   5.813
  771   HD12  LEU  99          HD12      LEU  99  -2.057 -23.937   4.398
  772   HD13  LEU  99          HD13      LEU  99  -2.911 -24.003   5.955
  773   HD21  LEU  99          HD21      LEU  99  -2.823 -26.435   6.129
  774   HD22  LEU  99          HD22      LEU  99  -2.060 -26.553   4.535
  775   HD23  LEU  99          HD23      LEU  99  -1.313 -27.321   5.955
  776    H    VAL 100           H        VAL 100   3.688 -25.509   6.592
  777    HA   VAL 100           HA       VAL 100   5.032 -25.362   4.094
  778    HB   VAL 100           HB       VAL 100   6.396 -26.218   6.679
  779   HG11  VAL 100          HG11      VAL 100   8.314 -24.966   5.742
  780   HG12  VAL 100          HG12      VAL 100   7.815 -26.239   4.640
  781   HG13  VAL 100          HG13      VAL 100   7.359 -24.553   4.302
  782   HG21  VAL 100          HG21      VAL 100   5.181 -24.310   7.380
  783   HG22  VAL 100          HG22      VAL 100   6.809 -23.748   7.069
  784   HG23  VAL 100          HG23      VAL 100   5.527 -23.416   5.878
  785    H    GLY 101           H        GLY 101   6.079 -26.830   2.804
  786    HA2  GLY 101           HA2      GLY 101   7.146 -28.745   2.219
  787    HA3  GLY 101           HA3      GLY 101   6.676 -29.515   3.741
  788    H    GLN 102           H        GLN 102   3.787 -28.300   2.522
  789    HA   GLN 102           HA       GLN 102   3.088 -30.975   1.483
  790    HB2  GLN 102           HB2      GLN 102   0.849 -30.379   1.627
  791    HB3  GLN 102           HB3      GLN 102   1.592 -29.690   3.070
  792    HG2  GLN 102           HG2      GLN 102   1.665 -27.468   1.853
  793    HG3  GLN 102           HG3      GLN 102   0.773 -28.204   0.527
  794   HE21  GLN 102          HE22      GLN 102  -0.372 -26.043   1.552
  795   HE22  GLN 102          HE21      GLN 102  -1.728 -26.448   2.578
  796    H    GLU 103           H        GLU 103   2.214 -31.297  -0.633
  797    HA   GLU 103           HA       GLU 103   3.179 -29.362  -2.642
  798    HB2  GLU 103           HB2      GLU 103   2.137 -32.110  -3.337
  799    HB3  GLU 103           HB3      GLU 103   3.360 -31.131  -4.122
  800    HG2  GLU 103           HG2      GLU 103   4.700 -32.743  -3.269
  801    HG3  GLU 103           HG3      GLU 103   4.759 -31.658  -1.891
  802    H    VAL 104           H        VAL 104   1.836 -28.759  -4.399
  803    HA   VAL 104           HA       VAL 104  -1.046 -29.382  -4.223
  804    HB   VAL 104           HB       VAL 104  -1.388 -27.003  -4.887
  805   HG11  VAL 104          HG11      VAL 104  -1.911 -27.813  -2.598
  806   HG12  VAL 104          HG12      VAL 104  -0.276 -27.355  -2.070
  807   HG13  VAL 104          HG13      VAL 104  -1.424 -26.111  -2.602
  808   HG21  VAL 104          HG21      VAL 104   0.213 -25.272  -4.283
  809   HG22  VAL 104          HG22      VAL 104   1.400 -26.484  -3.782
  810   HG23  VAL 104          HG23      VAL 104   0.905 -26.356  -5.488
  811    H    LEU 105           H        LEU 105  -2.045 -29.386  -6.279
  812    HA   LEU 105           HA       LEU 105  -0.065 -29.841  -8.471
  813    HB2  LEU 105           HB2      LEU 105  -2.845 -30.932  -8.071
  814    HB3  LEU 105           HB3      LEU 105  -1.758 -31.299  -9.417
  815    HG   LEU 105           HG       LEU 105  -1.333 -32.079  -6.499
  816   HD11  LEU 105          HD11      LEU 105  -3.039 -33.410  -7.683
  817   HD12  LEU 105          HD12      LEU 105  -1.871 -33.778  -8.971
  818   HD13  LEU 105          HD13      LEU 105  -1.603 -34.378  -7.318
  819   HD21  LEU 105          HD21      LEU 105   0.453 -32.580  -8.922
  820   HD22  LEU 105          HD22      LEU 105   0.856 -31.633  -7.468
  821   HD23  LEU 105          HD23      LEU 105   0.632 -33.377  -7.342
  822    H    TYR 106           H        TYR 106  -0.522 -27.420  -8.076
  823    HA   TYR 106           HA       TYR 106  -1.743 -26.563 -10.591
  824    HB2  TYR 106           HB2      TYR 106  -2.603 -24.464  -9.643
  825    HB3  TYR 106           HB3      TYR 106  -3.479 -25.873  -9.108
  826    HD1  TYR 106           HD2      TYR 106  -0.660 -23.600  -7.942
  827    HD2  TYR 106           HD1      TYR 106  -4.055 -26.044  -6.855
  828    HE1  TYR 106           HE2      TYR 106  -0.476 -22.817  -5.614
  829    HE2  TYR 106           HE1      TYR 106  -3.899 -25.224  -4.526
  830    HH   TYR 106           HH       TYR 106  -1.408 -22.857  -3.479
  831    H    LYS 107           H        LYS 107  -0.535 -24.922 -11.593
  832    HA   LYS 107           HA       LYS 107   2.189 -24.909 -10.965
  833    HB2  LYS 107           HB2      LYS 107   0.565 -24.347 -13.149
  834    HB3  LYS 107           HB3      LYS 107   0.979 -22.707 -12.661
  835    HG2  LYS 107           HG2      LYS 107   3.417 -23.438 -12.676
  836    HG3  LYS 107           HG3      LYS 107   2.870 -24.989 -13.305
  837    HD2  LYS 107           HD2      LYS 107   2.744 -22.257 -14.634
  838    HD3  LYS 107           HD3      LYS 107   3.728 -23.625 -15.126
  839    HE2  LYS 107           HE2      LYS 107   0.702 -23.337 -15.391
  840    HE3  LYS 107           HE3      LYS 107   1.908 -23.310 -16.674
  841    HZ1  LYS 107           HZ1      LYS 107   0.871 -25.611 -15.199
  842    HZ2  LYS 107           HZ2      LYS 107   1.134 -25.430 -16.792
  843    HZ3  LYS 107           HZ3      LYS 107   2.415 -25.702 -15.799
  844    H    LEU 108           H        LEU 108   3.523 -22.882 -10.777
  845    HA   LEU 108           HA       LEU 108   2.638 -21.030  -8.715
  846    HB2  LEU 108           HB2      LEU 108   5.009 -20.922 -10.663
  847    HB3  LEU 108           HB3      LEU 108   4.683 -19.743  -9.414
  848    HG   LEU 108           HG       LEU 108   6.423 -21.086  -8.630
  849   HD11  LEU 108          HD11      LEU 108   4.742 -20.493  -6.935
  850   HD12  LEU 108          HD12      LEU 108   3.905 -22.039  -7.210
  851   HD13  LEU 108          HD13      LEU 108   5.547 -22.022  -6.559
  852   HD21  LEU 108          HD21      LEU 108   6.385 -23.500  -8.403
  853   HD22  LEU 108          HD22      LEU 108   4.782 -23.604  -9.114
  854   HD23  LEU 108          HD23      LEU 108   6.154 -23.041 -10.092
  855    H    THR 109           H        THR 109   1.174 -19.465  -9.143
  856    HA   THR 109           HA       THR 109   1.604 -17.758 -11.479
  857    HB   THR 109           HB       THR 109  -0.781 -17.510 -11.917
  858    HG1  THR 109           HG1      THR 109  -2.255 -18.979 -10.995
  859   HG21  THR 109          HG21      THR 109   0.436 -19.267 -13.228
  860   HG22  THR 109          HG22      THR 109  -0.130 -20.485 -12.060
  861   HG23  THR 109          HG23      THR 109  -1.296 -19.590 -13.053
  862    H    SER 110           H        SER 110   0.900 -15.552 -10.966
  863    HA   SER 110           HA       SER 110   1.280 -14.705  -8.339
  864    HB2  SER 110           HB2      SER 110  -0.428 -13.354 -10.478
  865    HB3  SER 110           HB3      SER 110   0.485 -12.579  -9.167
  866    HG   SER 110           HG       SER 110   2.367 -13.236 -10.084
  867    H    GLU 111           H        GLU 111  -1.742 -15.639 -10.028
  868    HA   GLU 111           HA       GLU 111  -3.522 -14.786  -7.940
  869    HB2  GLU 111           HB2      GLU 111  -3.869 -16.778 -10.226
  870    HB3  GLU 111           HB3      GLU 111  -5.172 -16.211  -9.171
  871    HG2  GLU 111           HG2      GLU 111  -4.733 -13.867  -9.895
  872    HG3  GLU 111           HG3      GLU 111  -3.481 -14.446 -10.996
  873    H    ASN 112           H        ASN 112  -1.992 -17.992  -8.716
  874    HA   ASN 112           HA       ASN 112  -3.506 -19.388  -6.703
  875    HB2  ASN 112           HB2      ASN 112  -0.904 -20.017  -8.153
  876    HB3  ASN 112           HB3      ASN 112  -1.555 -21.060  -6.903
  877   HD21  ASN 112          HD22      ASN 112  -1.161 -21.797  -9.702
  878   HD22  ASN 112          HD21      ASN 112  -2.749 -22.179 -10.336
  879    H    CYS 113           H        CYS 113  -0.334 -17.727  -6.665
  880    HA   CYS 113           HA       CYS 113   0.298 -18.614  -3.992
  881    HB2  CYS 113           HB2      CYS 113   1.370 -16.208  -5.531
  882    HB3  CYS 113           HB3      CYS 113   2.079 -16.947  -4.083
  883    HG   CYS 113           HG       CYS 113   1.645 -18.124  -7.134
  884    H    GLU 114           H        GLU 114  -1.187 -15.591  -5.328
  885    HA   GLU 114           HA       GLU 114  -1.550 -14.206  -2.905
  886    HB2  GLU 114           HB2      GLU 114  -1.949 -13.255  -5.164
  887    HB3  GLU 114           HB3      GLU 114  -3.342 -14.310  -5.369
  888    HG2  GLU 114           HG2      GLU 114  -4.437 -13.186  -3.406
  889    HG3  GLU 114           HG3      GLU 114  -3.040 -12.119  -3.271
  890    H    HIS 115           H        HIS 115  -3.639 -16.638  -4.531
  891    HA   HIS 115           HA       HIS 115  -5.821 -16.553  -2.761
  892    HB2  HIS 115           HB2      HIS 115  -5.963 -17.645  -4.916
  893    HB3  HIS 115           HB3      HIS 115  -4.699 -18.792  -4.490
  894    HD2  HIS 115           HD2      HIS 115  -5.323 -20.835  -2.840
  895    HE1  HIS 115           HE1      HIS 115  -9.543 -20.263  -2.897
  896    HE2  HIS 115           HE2      HIS 115  -7.665 -21.846  -2.224
  897    H    PHE 116           H        PHE 116  -2.969 -18.816  -2.743
  898    HA   PHE 116           HA       PHE 116  -3.791 -20.169  -0.429
  899    HB2  PHE 116           HB2      PHE 116  -2.063 -21.114  -1.796
  900    HB3  PHE 116           HB3      PHE 116  -1.088 -19.655  -1.708
  901    HD1  PHE 116           HD1      PHE 116  -2.104 -22.718   0.157
  902    HD2  PHE 116           HD2      PHE 116   0.364 -19.188   0.179
  903    HE1  PHE 116           HE1      PHE 116  -0.803 -23.620   2.072
  904    HE2  PHE 116           HE2      PHE 116   1.602 -20.041   2.141
  905    HZ   PHE 116           HZ       PHE 116   1.055 -22.299   3.060
  906    H    VAL 117           H        VAL 117  -1.510 -17.363  -0.613
  907    HA   VAL 117           HA       VAL 117  -1.113 -17.452   2.213
  908    HB   VAL 117           HB       VAL 117  -0.081 -15.303   2.080
  909   HG11  VAL 117          HG11      VAL 117   1.218 -17.245   1.362
  910   HG12  VAL 117          HG12      VAL 117   0.709 -16.977  -0.327
  911   HG13  VAL 117          HG13      VAL 117   1.699 -15.778   0.500
  912   HG21  VAL 117          HG21      VAL 117  -0.953 -15.097  -0.829
  913   HG22  VAL 117          HG22      VAL 117  -1.604 -14.121   0.497
  914   HG23  VAL 117          HG23      VAL 117   0.098 -13.976   0.055
  915    H    ASN 118           H        ASN 118  -3.683 -15.936   0.301
  916    HA   ASN 118           HA       ASN 118  -4.728 -14.380   2.514
  917    HB2  ASN 118           HB2      ASN 118  -5.804 -15.187  -0.202
  918    HB3  ASN 118           HB3      ASN 118  -6.889 -14.561   1.039
  919   HD21  ASN 118          HD22      ASN 118  -3.891 -13.719  -0.750
  920   HD22  ASN 118          HD21      ASN 118  -4.015 -11.992  -0.428
  921    H    GLU 119           H        GLU 119  -5.048 -17.787   1.568
  922    HA   GLU 119           HA       GLU 119  -7.254 -18.283   3.374
  923    HB2  GLU 119           HB2      GLU 119  -5.082 -20.263   2.562
  924    HB3  GLU 119           HB3      GLU 119  -6.620 -20.622   3.324
  925    HG2  GLU 119           HG2      GLU 119  -7.788 -19.721   1.271
  926    HG3  GLU 119           HG3      GLU 119  -6.213 -19.580   0.505
  927    H    LEU 120           H        LEU 120  -3.661 -18.289   3.745
  928    HA   LEU 120           HA       LEU 120  -3.824 -19.204   6.451
  929    HB2  LEU 120           HB2      LEU 120  -1.613 -17.835   4.901
  930    HB3  LEU 120           HB3      LEU 120  -1.462 -18.221   6.627
  931    HG   LEU 120           HG       LEU 120  -1.632 -20.542   6.284
  932   HD11  LEU 120          HD11      LEU 120  -3.187 -20.782   4.401
  933   HD12  LEU 120          HD12      LEU 120  -1.992 -20.017   3.315
  934   HD13  LEU 120          HD13      LEU 120  -1.670 -21.589   4.026
  935   HD21  LEU 120          HD21      LEU 120   0.441 -20.895   4.991
  936   HD22  LEU 120          HD22      LEU 120   0.251 -19.304   4.228
  937   HD23  LEU 120          HD23      LEU 120   0.559 -19.421   5.970
  938    H    ARG 121           H        ARG 121  -3.655 -15.915   5.029
  939    HA   ARG 121           HA       ARG 121  -3.493 -14.668   7.625
  940    HB2  ARG 121           HB2      ARG 121  -2.552 -13.652   5.604
  941    HB3  ARG 121           HB3      ARG 121  -4.154 -13.505   4.881
  942    HG2  ARG 121           HG2      ARG 121  -3.278 -11.366   5.792
  943    HG3  ARG 121           HG3      ARG 121  -4.805 -11.843   6.530
  944    HD2  ARG 121           HD2      ARG 121  -3.898 -12.220   8.594
  945    HD3  ARG 121           HD3      ARG 121  -2.356 -12.744   7.935
  946    HE   ARG 121           HE       ARG 121  -1.525 -10.649   8.011
  947   HH11  ARG 121          HH11      ARG 121  -5.054 -10.357   8.524
  948   HH12  ARG 121          HH12      ARG 121  -4.913  -8.712   9.126
  949   HH21  ARG 121          HH21      ARG 121  -1.455  -8.428   8.889
  950   HH22  ARG 121          HH22      ARG 121  -2.991  -7.714   9.343
  951    H    TYR 122           H        TYR 122  -6.215 -15.191   5.361
  952    HA   TYR 122           HA       TYR 122  -8.042 -14.082   7.452
  953    HB2  TYR 122           HB2      TYR 122  -8.469 -14.101   4.447
  954    HB3  TYR 122           HB3      TYR 122  -9.439 -13.270   5.650
  955    HD1  TYR 122           HD1      TYR 122  -8.313 -11.377   7.047
  956    HD2  TYR 122           HD2      TYR 122  -6.710 -12.961   3.370
  957    HE1  TYR 122           HE1      TYR 122  -6.925  -9.351   6.788
  958    HE2  TYR 122           HE2      TYR 122  -5.309 -10.937   3.105
  959    HH   TYR 122           HH       TYR 122  -5.178  -8.379   5.599
  960    H    GLY 123           H        GLY 123  -7.233 -17.071   6.657
  961    HA2  GLY 123           HA2      GLY 123  -8.414 -18.933   7.508
  962    HA3  GLY 123           HA3      GLY 123  -9.942 -18.062   7.350
  963    H    VAL 124           H        VAL 124 -10.059 -17.211   4.802
  964    HA   VAL 124           HA       VAL 124  -9.140 -19.212   2.907
  965    HB   VAL 124           HB       VAL 124 -11.208 -20.211   3.759
  966   HG11  VAL 124          HG11      VAL 124 -13.411 -19.266   3.350
  967   HG12  VAL 124          HG12      VAL 124 -12.481 -18.194   4.405
  968   HG13  VAL 124          HG13      VAL 124 -12.696 -17.783   2.689
  969   HG21  VAL 124          HG21      VAL 124 -12.267 -20.676   1.635
  970   HG22  VAL 124          HG22      VAL 124 -11.524 -19.244   0.900
  971   HG23  VAL 124          HG23      VAL 124 -10.511 -20.604   1.436
  972    H    ALA 125           H        ALA 125  -8.894 -18.210   0.832
  973    HA   ALA 125           HA       ALA 125  -8.880 -15.376   0.670
  974    HB1  ALA 125           HB1      ALA 125  -9.064 -17.420  -1.580
  975    HB2  ALA 125           HB2      ALA 125  -8.560 -15.728  -1.737
  976    HB3  ALA 125           HB3      ALA 125  -7.555 -16.867  -0.817
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1   7.569   3.069   4.656
    2    H2   MET   1           H2       MET   1   6.463   2.553   3.565
    3    H3   MET   1           H3       MET   1   6.355   2.086   5.153
    4    HA   MET   1           HA       MET   1   8.239   0.786   5.073
    5    HB2  MET   1           HB2      MET   1   6.099  -0.203   4.196
    6    HB3  MET   1           HB3      MET   1   6.636   0.163   2.550
    7    HG2  MET   1           HG2      MET   1   8.574  -1.317   2.835
    8    HG3  MET   1           HG3      MET   1   8.159  -1.576   4.538
    9    HE1  MET   1           HE1      MET   1   8.424  -4.125   4.266
   10    HE2  MET   1           HE2      MET   1   7.642  -5.085   2.992
   11    HE3  MET   1           HE3      MET   1   8.881  -3.884   2.565
   12    H    ARG   2           H        ARG   2  10.139  -0.019   3.990
   13    HA   ARG   2           HA       ARG   2  11.123   1.338   1.600
   14    HB2  ARG   2           HB2      ARG   2  11.609   2.822   3.605
   15    HB3  ARG   2           HB3      ARG   2  12.596   1.533   4.277
   16    HG2  ARG   2           HG2      ARG   2  14.208   1.772   2.439
   17    HG3  ARG   2           HG3      ARG   2  13.091   2.821   1.551
   18    HD2  ARG   2           HD2      ARG   2  14.859   4.152   2.591
   19    HD3  ARG   2           HD3      ARG   2  13.289   4.551   3.273
   20    HE   ARG   2           HE       ARG   2  13.909   3.736   5.324
   21   HH11  ARG   2          HH21      ARG   2  16.441   2.860   2.988
   22   HH12  ARG   2          HH22      ARG   2  17.590   2.413   4.192
   23   HH21  ARG   2          HH11      ARG   2  15.445   3.160   6.923
   24   HH22  ARG   2          HH12      ARG   2  17.010   2.603   6.479
   25    H    ALA   3           H        ALA   3  13.600   0.251   1.424
   26    HA   ALA   3           HA       ALA   3  13.213  -2.454   0.955
   27    HB1  ALA   3           HB1      ALA   3  15.647  -2.580   0.656
   28    HB2  ALA   3           HB2      ALA   3  14.967  -1.132  -0.106
   29    HB3  ALA   3           HB3      ALA   3  15.842  -0.999   1.439
   30    HA   PRO   4           HA       PRO   4  15.117  -3.848   5.093
   31    HB2  PRO   4           HB2      PRO   4  15.406  -2.209   7.249
   32    HB3  PRO   4           HB3      PRO   4  16.587  -2.258   5.918
   33    HG2  PRO   4           HG2      PRO   4  14.310  -0.287   6.294
   34    HG3  PRO   4           HG3      PRO   4  16.041   0.059   5.976
   35    HD2  PRO   4           HD2      PRO   4  14.179  -0.029   4.007
   36    HD3  PRO   4           HD3      PRO   4  15.856  -0.569   3.722
   37    H    ILE   5           H        ILE   5  14.063  -3.570   7.716
   38    HA   ILE   5           HA       ILE   5  11.140  -3.867   7.226
   39    HB   ILE   5           HB       ILE   5  11.266  -5.675   8.970
   40   HG12  ILE   5          HG12      ILE   5  14.263  -5.709   8.349
   41   HG13  ILE   5          HG13      ILE   5  13.596  -5.047   9.837
   42   HG21  ILE   5          HG21      ILE   5  12.812  -6.205   6.395
   43   HG22  ILE   5          HG22      ILE   5  11.849  -7.368   7.329
   44   HG23  ILE   5          HG23      ILE   5  11.053  -6.035   6.495
   45   HD11  ILE   5          HD11      ILE   5  13.378  -7.936   8.921
   46   HD12  ILE   5          HD12      ILE   5  14.372  -7.294  10.237
   47   HD13  ILE   5          HD13      ILE   5  12.603  -7.260  10.378
   48    HA   PRO   6           HA       PRO   6  11.917  -0.746  10.572
   49    HB2  PRO   6           HB2      PRO   6  10.569   1.410   9.603
   50    HB3  PRO   6           HB3      PRO   6  12.213   0.973   9.034
   51    HG2  PRO   6           HG2      PRO   6   9.557   0.294   7.728
   52    HG3  PRO   6           HG3      PRO   6  11.006   1.030   6.970
   53    HD2  PRO   6           HD2      PRO   6  10.529  -1.651   6.837
   54    HD3  PRO   6           HD3      PRO   6  12.183  -0.990   7.016
   55    H    GLU   7           H        GLU   7   8.991  -1.924   9.028
   56    HA   GLU   7           HA       GLU   7   7.428  -1.414  11.487
   57    HB2  GLU   7           HB2      GLU   7   5.643  -0.410  10.256
   58    HB3  GLU   7           HB3      GLU   7   7.135   0.445   9.880
   59    HG2  GLU   7           HG2      GLU   7   7.308  -0.824   7.730
   60    HG3  GLU   7           HG3      GLU   7   5.795  -1.647   8.100
   61    HA   PRO   8           HA       PRO   8   5.222  -4.915   9.106
   62    HB2  PRO   8           HB2      PRO   8   6.670  -6.976   8.091
   63    HB3  PRO   8           HB3      PRO   8   6.386  -5.470   7.175
   64    HG2  PRO   8           HG2      PRO   8   8.832  -6.197   8.794
   65    HG3  PRO   8           HG3      PRO   8   8.753  -5.562   7.118
   66    HD2  PRO   8           HD2      PRO   8   9.166  -3.977   9.311
   67    HD3  PRO   8           HD3      PRO   8   8.269  -3.386   7.870
   68    H    LYS   9           H        LYS   9   4.637  -7.081   9.948
   69    HA   LYS   9           HA       LYS   9   6.275  -8.074  12.221
   70    HB2  LYS   9           HB2      LYS   9   3.296  -7.440  12.366
   71    HB3  LYS   9           HB3      LYS   9   4.192  -8.389  13.556
   72    HG2  LYS   9           HG2      LYS   9   5.648  -6.413  14.031
   73    HG3  LYS   9           HG3      LYS   9   4.729  -5.469  12.857
   74    HD2  LYS   9           HD2      LYS   9   3.924  -4.902  15.048
   75    HD3  LYS   9           HD3      LYS   9   2.669  -5.769  14.176
   76    HE2  LYS   9           HE2      LYS   9   2.663  -6.550  16.439
   77    HE3  LYS   9           HE3      LYS   9   3.260  -7.860  15.424
   78    HZ1  LYS   9           HZ1      LYS   9   4.577  -7.592  17.435
   79    HZ2  LYS   9           HZ2      LYS   9   5.521  -7.277  16.146
   80    HZ3  LYS   9           HZ3      LYS   9   4.947  -6.052  17.066
   81    HA   PRO  10           HA       PRO  10   5.362 -12.016  10.284
   82    HB2  PRO  10           HB2      PRO  10   5.141 -12.877  13.180
   83    HB3  PRO  10           HB3      PRO  10   5.906 -13.739  11.809
   84    HG2  PRO  10           HG2      PRO  10   7.454 -12.325  13.521
   85    HG3  PRO  10           HG3      PRO  10   7.744 -12.163  11.760
   86    HD2  PRO  10           HD2      PRO  10   6.227 -10.298  13.597
   87    HD3  PRO  10           HD3      PRO  10   7.388  -9.917  12.286
   88    H    GLY  11           H        GLY  11   3.494 -12.949   9.579
   89    HA2  GLY  11           HA2      GLY  11   1.169 -13.585   9.829
   90    HA3  GLY  11           HA3      GLY  11   0.909 -12.146  10.834
   91    H    ASP  12           H        ASP  12   2.787 -10.531   9.014
   92    HA   ASP  12           HA       ASP  12   0.802  -9.415   7.325
   93    HB2  ASP  12           HB2      ASP  12   3.827  -9.135   7.462
   94    HB3  ASP  12           HB3      ASP  12   2.899  -8.333   6.209
   95    H    LEU  13           H        LEU  13   0.272  -9.677   5.214
   96    HA   LEU  13           HA       LEU  13   1.376 -11.877   3.606
   97    HB2  LEU  13           HB2      LEU  13  -0.291  -9.473   2.735
   98    HB3  LEU  13           HB3      LEU  13   0.173 -10.841   1.738
   99    HG   LEU  13           HG       LEU  13  -1.963 -10.659   3.819
  100   HD11  LEU  13          HD11      LEU  13  -2.487 -10.236   1.467
  101   HD12  LEU  13          HD12      LEU  13  -1.888 -11.844   1.035
  102   HD13  LEU  13          HD13      LEU  13  -3.317 -11.672   2.086
  103   HD21  LEU  13          HD21      LEU  13  -0.558 -13.195   2.931
  104   HD22  LEU  13          HD22      LEU  13  -0.838 -12.639   4.592
  105   HD23  LEU  13          HD23      LEU  13  -2.201 -13.200   3.610
  106    H    ILE  14           H        ILE  14   2.929 -11.657   2.041
  107    HA   ILE  14           HA       ILE  14   4.170  -8.979   1.623
  108    HB   ILE  14           HB       ILE  14   5.475 -11.733   1.724
  109   HG12  ILE  14          HG12      ILE  14   4.954 -10.995   3.988
  110   HG13  ILE  14          HG13      ILE  14   6.681 -11.042   3.695
  111   HG21  ILE  14          HG21      ILE  14   6.611  -8.987   1.130
  112   HG22  ILE  14          HG22      ILE  14   7.622 -10.407   1.521
  113   HG23  ILE  14          HG23      ILE  14   6.597 -10.404   0.080
  114   HD11  ILE  14          HD11      ILE  14   6.753  -8.578   3.480
  115   HD12  ILE  14          HD12      ILE  14   4.990  -8.505   3.703
  116   HD13  ILE  14          HD13      ILE  14   6.029  -9.063   5.022
  117    H    GLU  15           H        GLU  15   4.235  -8.399  -0.474
  118    HA   GLU  15           HA       GLU  15   3.753 -10.490  -2.540
  119    HB2  GLU  15           HB2      GLU  15   2.978  -8.845  -4.050
  120    HB3  GLU  15           HB3      GLU  15   1.999  -8.737  -2.584
  121    HG2  GLU  15           HG2      GLU  15   3.247  -6.739  -1.866
  122    HG3  GLU  15           HG3      GLU  15   4.348  -6.916  -3.240
  123    H    ILE  16           H        ILE  16   5.204 -10.373  -4.239
  124    HA   ILE  16           HA       ILE  16   7.882  -9.222  -3.658
  125    HB   ILE  16           HB       ILE  16   7.138 -11.914  -4.852
  126   HG12  ILE  16          HG12      ILE  16   6.577 -11.922  -2.430
  127   HG13  ILE  16          HG13      ILE  16   7.761 -13.097  -2.939
  128   HG21  ILE  16          HG21      ILE  16   9.813 -10.710  -4.098
  129   HG22  ILE  16          HG22      ILE  16   9.580 -12.411  -4.577
  130   HG23  ILE  16          HG23      ILE  16   9.249 -11.097  -5.716
  131   HD11  ILE  16          HD11      ILE  16   8.418 -10.476  -1.561
  132   HD12  ILE  16          HD12      ILE  16   8.356 -12.071  -0.784
  133   HD13  ILE  16          HD13      ILE  16   9.593 -11.729  -2.004
  134    H    PHE  17           H        PHE  17   7.915  -7.591  -5.200
  135    HA   PHE  17           HA       PHE  17   6.480  -7.850  -7.765
  136    HB2  PHE  17           HB2      PHE  17   7.826  -5.696  -6.317
  137    HB3  PHE  17           HB3      PHE  17   8.454  -5.819  -7.953
  138    HD1  PHE  17           HD1      PHE  17   7.001  -5.524  -9.926
  139    HD2  PHE  17           HD2      PHE  17   5.470  -5.057  -5.913
  140    HE1  PHE  17           HE1      PHE  17   4.987  -4.384 -10.824
  141    HE2  PHE  17           HE2      PHE  17   3.465  -3.912  -6.822
  142    HZ   PHE  17           HZ       PHE  17   3.217  -3.572  -9.273
  143    H    ARG  18           H        ARG  18   7.380  -8.676  -9.688
  144    HA   ARG  18           HA       ARG  18  10.248  -9.437  -9.601
  145    HB2  ARG  18           HB2      ARG  18   7.751 -11.127 -10.106
  146    HB3  ARG  18           HB3      ARG  18   9.316 -11.598 -10.729
  147    HG2  ARG  18           HG2      ARG  18  10.129 -11.132  -8.233
  148    HG3  ARG  18           HG3      ARG  18   8.415 -11.403  -7.869
  149    HD2  ARG  18           HD2      ARG  18   8.494 -13.587  -8.867
  150    HD3  ARG  18           HD3      ARG  18  10.137 -13.284  -9.516
  151    HE   ARG  18           HE       ARG  18  10.643 -12.942  -6.949
  152   HH11  ARG  18          HH21      ARG  18   8.800 -15.588  -8.474
  153   HH12  ARG  18          HH22      ARG  18   9.113 -16.711  -7.203
  154   HH21  ARG  18          HH11      ARG  18  11.107 -14.445  -5.296
  155   HH22  ARG  18          HH12      ARG  18  10.530 -16.074  -5.408
  156    HA   PRO  19           HA       PRO  19  11.120  -7.910 -13.367
  157    HB2  PRO  19           HB2      PRO  19  11.260 -10.633 -14.688
  158    HB3  PRO  19           HB3      PRO  19  12.390  -9.250 -14.858
  159    HG2  PRO  19           HG2      PRO  19  12.985 -11.245 -13.138
  160    HG3  PRO  19           HG3      PRO  19  13.197  -9.541 -12.618
  161    HD2  PRO  19           HD2      PRO  19  10.980 -11.460 -11.936
  162    HD3  PRO  19           HD3      PRO  19  11.776 -10.248 -10.909
  163    H    PHE  20           H        PHE  20   8.486 -10.248 -13.870
  164    HA   PHE  20           HA       PHE  20   7.221  -8.353 -15.767
  165    HB2  PHE  20           HB2      PHE  20   8.679 -10.100 -16.955
  166    HB3  PHE  20           HB3      PHE  20   7.553 -11.316 -16.381
  167    HD1  PHE  20           HD1      PHE  20   7.613  -8.023 -18.237
  168    HD2  PHE  20           HD2      PHE  20   5.794 -11.921 -17.862
  169    HE1  PHE  20           HE1      PHE  20   6.247  -7.584 -20.262
  170    HE2  PHE  20           HE2      PHE  20   4.435 -11.477 -19.891
  171    HZ   PHE  20           HZ       PHE  20   4.655  -9.308 -21.092
  172    H    TYR  21           H        TYR  21   6.720  -9.586 -12.890
  173    HA   TYR  21           HA       TYR  21   3.900  -9.965 -13.036
  174    HB2  TYR  21           HB2      TYR  21   3.660 -12.250 -12.558
  175    HB3  TYR  21           HB3      TYR  21   4.703 -12.203 -13.947
  176    HD1  TYR  21           HD2      TYR  21   7.431 -12.022 -13.060
  177    HD2  TYR  21           HD1      TYR  21   4.131 -13.978 -11.089
  178    HE1  TYR  21           HE2      TYR  21   8.989 -13.676 -12.105
  179    HE2  TYR  21           HE1      TYR  21   5.699 -15.565 -10.032
  180    HH   TYR  21           HH       TYR  21   9.205 -15.613 -10.822
  181    H    ARG  22           H        ARG  22   3.495 -11.324 -10.589
  182    HA   ARG  22           HA       ARG  22   5.543 -10.368  -8.761
  183    HB2  ARG  22           HB2      ARG  22   4.408  -8.942  -7.485
  184    HB3  ARG  22           HB3      ARG  22   3.510  -8.634  -8.946
  185    HG2  ARG  22           HG2      ARG  22   2.692 -10.210  -6.495
  186    HG3  ARG  22           HG3      ARG  22   2.032  -8.707  -7.097
  187    HD2  ARG  22           HD2      ARG  22   1.572 -11.513  -8.038
  188    HD3  ARG  22           HD3      ARG  22   0.383 -10.291  -7.609
  189    HE   ARG  22           HE       ARG  22   1.313 -10.877 -10.198
  190   HH11  ARG  22          HH21      ARG  22   0.465  -8.004  -8.273
  191   HH12  ARG  22          HH22      ARG  22   0.044  -7.051  -9.644
  192   HH21  ARG  22          HH11      ARG  22   0.758  -9.593 -12.013
  193   HH22  ARG  22          HH12      ARG  22   0.225  -7.973 -11.805
  194    H    HIS  23           H        HIS  23   5.405 -11.463  -6.719
  195    HA   HIS  23           HA       HIS  23   3.936 -14.047  -6.835
  196    HB2  HIS  23           HB2      HIS  23   6.221 -14.479  -7.549
  197    HB3  HIS  23           HB3      HIS  23   6.890 -13.523  -6.237
  198    HD2  HIS  23           HD2      HIS  23   8.000 -15.066  -4.506
  199    HE1  HIS  23           HE1      HIS  23   5.183 -18.249  -4.441
  200    HE2  HIS  23           HE2      HIS  23   7.349 -17.385  -3.448
  201    H    TRP  24           H        TRP  24   4.094 -15.045  -4.432
  202    HA   TRP  24           HA       TRP  24   3.600 -12.840  -2.504
  203    HB2  TRP  24           HB2      TRP  24   1.576 -14.888  -3.434
  204    HB3  TRP  24           HB3      TRP  24   1.448 -14.057  -1.899
  205    HD1  TRP  24           HD1      TRP  24   1.293 -13.325  -5.670
  206    HE1  TRP  24           HE1      TRP  24   0.040 -11.125  -6.026
  207    HE3  TRP  24           HE3      TRP  24   0.843 -11.895  -0.810
  208    HZ2  TRP  24           HZ2      TRP  24  -1.123  -9.025  -4.376
  209    HZ3  TRP  24           HZ3      TRP  24  -0.389  -9.807  -0.209
  210    HH2  TRP  24           HH2      TRP  24  -1.384  -8.395  -1.980
  211    H    ALA  25           H        ALA  25   3.754 -13.376  -0.417
  212    HA   ALA  25           HA       ALA  25   4.459 -16.073   0.494
  213    HB1  ALA  25           HB1      ALA  25   6.593 -15.032  -0.371
  214    HB2  ALA  25           HB2      ALA  25   6.331 -13.650   0.712
  215    HB3  ALA  25           HB3      ALA  25   6.607 -15.271   1.380
  216    H    ILE  26           H        ILE  26   4.786 -15.851   3.006
  217    HA   ILE  26           HA       ILE  26   3.388 -13.473   4.105
  218    HB   ILE  26           HB       ILE  26   1.997 -15.631   3.759
  219   HG12  ILE  26          HG12      ILE  26   2.036 -14.437   6.559
  220   HG13  ILE  26          HG13      ILE  26   1.416 -13.603   5.123
  221   HG21  ILE  26          HG21      ILE  26   3.439 -16.535   6.271
  222   HG22  ILE  26          HG22      ILE  26   2.129 -17.368   5.449
  223   HG23  ILE  26          HG23      ILE  26   3.681 -17.214   4.641
  224   HD11  ILE  26          HD11      ILE  26  -0.106 -15.534   4.688
  225   HD12  ILE  26          HD12      ILE  26   0.371 -16.195   6.268
  226   HD13  ILE  26          HD13      ILE  26  -0.464 -14.625   6.172
  227    H    TYR  27           H        TYR  27   4.282 -12.690   5.972
  228    HA   TYR  27           HA       TYR  27   7.038 -13.452   6.509
  229    HB2  TYR  27           HB2      TYR  27   5.985 -11.127   6.302
  230    HB3  TYR  27           HB3      TYR  27   5.175 -11.426   7.821
  231    HD1  TYR  27           HD1      TYR  27   8.798 -12.361   7.194
  232    HD2  TYR  27           HD2      TYR  27   6.049  -9.422   8.743
  233    HE1  TYR  27           HE1      TYR  27  10.662 -11.192   8.283
  234    HE2  TYR  27           HE2      TYR  27   7.921  -8.294   9.921
  235    HH   TYR  27           HH       TYR  27  11.289  -9.484   9.764
  236    H    VAL  28           H        VAL  28   7.674 -14.846   8.144
  237    HA   VAL  28           HA       VAL  28   5.637 -15.564  10.212
  238    HB   VAL  28           HB       VAL  28   6.272 -17.898  10.052
  239   HG11  VAL  28          HG11      VAL  28   5.456 -16.889   7.314
  240   HG12  VAL  28          HG12      VAL  28   5.122 -18.475   8.032
  241   HG13  VAL  28          HG13      VAL  28   4.361 -17.026   8.710
  242   HG21  VAL  28          HG21      VAL  28   8.608 -17.587   9.144
  243   HG22  VAL  28          HG22      VAL  28   7.650 -18.810   8.320
  244   HG23  VAL  28          HG23      VAL  28   7.890 -17.221   7.565
  245    H    GLY  29           H        GLY  29   8.903 -14.619   9.677
  246    HA2  GLY  29           HA2      GLY  29   9.473 -14.784  12.524
  247    HA3  GLY  29           HA3      GLY  29  10.528 -15.782  11.491
  248    H    ASP  30           H        ASP  30  11.678 -13.679  12.828
  249    HA   ASP  30           HA       ASP  30  11.376 -11.128  12.015
  250    HB2  ASP  30           HB2      ASP  30  12.756 -11.827  13.899
  251    HB3  ASP  30           HB3      ASP  30  13.966 -12.505  12.807
  252    H    GLY  31           H        GLY  31  13.199 -13.503  10.140
  253    HA2  GLY  31           HA2      GLY  31  13.401 -11.490   7.941
  254    HA3  GLY  31           HA3      GLY  31  14.790 -12.497   8.360
  255    H    TYR  32           H        TYR  32  11.679 -14.112   8.668
  256    HA   TYR  32           HA       TYR  32  12.316 -15.606   6.151
  257    HB2  TYR  32           HB2      TYR  32  11.612 -16.650   8.906
  258    HB3  TYR  32           HB3      TYR  32  11.459 -17.617   7.448
  259    HD1  TYR  32           HD1      TYR  32  13.907 -15.746   9.531
  260    HD2  TYR  32           HD2      TYR  32  13.338 -18.624   6.369
  261    HE1  TYR  32           HE1      TYR  32  16.330 -16.316   9.622
  262    HE2  TYR  32           HE2      TYR  32  15.747 -19.196   6.442
  263    HH   TYR  32           HH       TYR  32  17.805 -18.783   7.459
  264    H    VAL  33           H        VAL  33  10.699 -16.641   5.096
  265    HA   VAL  33           HA       VAL  33   7.921 -15.834   5.731
  266    HB   VAL  33           HB       VAL  33   7.597 -15.528   3.259
  267   HG11  VAL  33          HG11      VAL  33   7.658 -13.532   4.500
  268   HG12  VAL  33          HG12      VAL  33   9.421 -13.590   4.692
  269   HG13  VAL  33          HG13      VAL  33   8.684 -13.262   3.103
  270   HG21  VAL  33          HG21      VAL  33   9.501 -15.055   1.799
  271   HG22  VAL  33          HG22      VAL  33  10.636 -15.450   3.108
  272   HG23  VAL  33          HG23      VAL  33   9.598 -16.709   2.419
  273    H    VAL  34           H        VAL  34   6.306 -17.174   4.719
  274    HA   VAL  34           HA       VAL  34   7.222 -19.832   3.750
  275    HB   VAL  34           HB       VAL  34   4.809 -18.989   5.388
  276   HG11  VAL  34          HG11      VAL  34   5.099 -21.551   3.773
  277   HG12  VAL  34          HG12      VAL  34   3.916 -21.312   5.078
  278   HG13  VAL  34          HG13      VAL  34   3.821 -20.317   3.621
  279   HG21  VAL  34          HG21      VAL  34   5.575 -20.782   6.858
  280   HG22  VAL  34          HG22      VAL  34   6.790 -21.268   5.665
  281   HG23  VAL  34          HG23      VAL  34   6.925 -19.696   6.478
  282    H    HIS  35           H        HIS  35   6.511 -20.383   1.708
  283    HA   HIS  35           HA       HIS  35   4.537 -18.754   0.304
  284    HB2  HIS  35           HB2      HIS  35   5.955 -17.745  -1.275
  285    HB3  HIS  35           HB3      HIS  35   6.661 -17.374   0.286
  286    HD2  HIS  35           HD2      HIS  35   8.497 -20.037   0.675
  287    HE1  HIS  35           HE1      HIS  35  10.297 -18.827  -2.983
  288    HE2  HIS  35           HE2      HIS  35  10.592 -20.261  -0.929
  289    H    LEU  36           H        LEU  36   4.463 -19.507  -2.108
  290    HA   LEU  36           HA       LEU  36   4.856 -22.449  -2.214
  291    HB2  LEU  36           HB2      LEU  36   3.432 -20.421  -3.973
  292    HB3  LEU  36           HB3      LEU  36   3.951 -21.958  -4.636
  293    HG   LEU  36           HG       LEU  36   1.623 -22.052  -4.084
  294   HD11  LEU  36          HD11      LEU  36   3.202 -23.782  -2.121
  295   HD12  LEU  36          HD12      LEU  36   1.582 -24.089  -2.732
  296   HD13  LEU  36          HD13      LEU  36   2.966 -24.144  -3.839
  297   HD21  LEU  36          HD21      LEU  36   0.800 -21.965  -1.828
  298   HD22  LEU  36          HD22      LEU  36   2.406 -21.610  -1.175
  299   HD23  LEU  36          HD23      LEU  36   1.592 -20.426  -2.229
  300    H    ALA  37           H        ALA  37   6.392 -23.389  -3.488
  301    HA   ALA  37           HA       ALA  37   8.064 -21.743  -5.277
  302    HB1  ALA  37           HB1      ALA  37   9.201 -21.758  -3.053
  303    HB2  ALA  37           HB2      ALA  37   9.155 -23.534  -3.058
  304    HB3  ALA  37           HB3      ALA  37  10.127 -22.664  -4.257
  305    HA   PRO  38           HA       PRO  38   7.966 -25.438  -7.831
  306    HB2  PRO  38           HB2      PRO  38  10.992 -25.382  -7.736
  307    HB3  PRO  38           HB3      PRO  38   9.921 -25.629  -9.152
  308    HG2  PRO  38           HG2      PRO  38  11.052 -23.211  -8.728
  309    HG3  PRO  38           HG3      PRO  38   9.321 -23.311  -9.192
  310    HD2  PRO  38           HD2      PRO  38  10.515 -22.915  -6.443
  311    HD3  PRO  38           HD3      PRO  38   9.128 -22.075  -7.203
  312    HA   PRO  39           HA       PRO  39   8.450 -28.729  -4.922
  313    HB2  PRO  39           HB2      PRO  39   8.593 -30.994  -6.485
  314    HB3  PRO  39           HB3      PRO  39   7.095 -30.042  -6.257
  315    HG2  PRO  39           HG2      PRO  39   9.075 -29.867  -8.549
  316    HG3  PRO  39           HG3      PRO  39   7.293 -29.992  -8.641
  317    HD2  PRO  39           HD2      PRO  39   8.563 -27.600  -8.832
  318    HD3  PRO  39           HD3      PRO  39   7.012 -27.738  -7.953
  319    H    SER  40           H        SER  40  10.205 -29.373  -3.721
  320    HA   SER  40           HA       SER  40  12.887 -29.227  -4.717
  321    HB2  SER  40           HB2      SER  40  11.906 -30.762  -2.293
  322    HB3  SER  40           HB3      SER  40  13.493 -30.030  -2.545
  323    HG   SER  40           HG       SER  40  12.137 -28.774  -1.179
  324    H    GLU  41           H        GLU  41  10.531 -31.841  -4.250
  325    HA   GLU  41           HA       GLU  41  12.412 -33.994  -4.612
  326    HB2  GLU  41           HB2      GLU  41   9.362 -33.903  -4.656
  327    HB3  GLU  41           HB3      GLU  41  10.323 -35.385  -4.789
  328    HG2  GLU  41           HG2      GLU  41  11.411 -34.853  -2.596
  329    HG3  GLU  41           HG3      GLU  41  10.355 -33.449  -2.432
  330    H    VAL  42           H        VAL  42  12.778 -35.243  -6.367
  331    HA   VAL  42           HA       VAL  42  12.458 -34.202  -9.016
  332    HB   VAL  42           HB       VAL  42  13.338 -36.436  -9.709
  333   HG11  VAL  42          HG11      VAL  42  14.929 -35.091  -7.476
  334   HG12  VAL  42          HG12      VAL  42  15.575 -36.122  -8.769
  335   HG13  VAL  42          HG13      VAL  42  14.849 -34.557  -9.168
  336   HG21  VAL  42          HG21      VAL  42  12.382 -37.828  -7.853
  337   HG22  VAL  42          HG22      VAL  42  14.122 -38.053  -8.074
  338   HG23  VAL  42          HG23      VAL  42  13.527 -37.076  -6.723
  339    H    ALA  43           H        ALA  43  11.540 -35.573 -10.761
  340    HA   ALA  43           HA       ALA  43   8.756 -35.747 -10.705
  341    HB1  ALA  43           HB1      ALA  43  10.832 -37.147 -12.448
  342    HB2  ALA  43           HB2      ALA  43   9.099 -37.070 -12.826
  343    HB3  ALA  43           HB3      ALA  43  10.059 -35.574 -12.761
  344    H    GLY  44           H        GLY  44  11.160 -38.340 -10.063
  345    HA2  GLY  44           HA2      GLY  44  10.928 -40.491  -9.278
  346    HA3  GLY  44           HA3      GLY  44   9.472 -39.925  -8.449
  347    H    ALA  45           H        ALA  45   8.204 -41.736  -8.871
  348    HA   ALA  45           HA       ALA  45   7.780 -42.808 -11.528
  349    HB1  ALA  45           HB1      ALA  45   7.535 -44.160  -9.464
  350    HB2  ALA  45           HB2      ALA  45   6.166 -43.138  -8.958
  351    HB3  ALA  45           HB3      ALA  45   6.041 -44.144 -10.416
  352    H    GLY  46           H        GLY  46   6.771 -39.841 -10.216
  353    HA2  GLY  46           HA2      GLY  46   5.234 -38.847 -12.117
  354    HA3  GLY  46           HA3      GLY  46   4.026 -39.851 -11.287
  355    H    ALA  47           H        ALA  47   5.234 -39.492  -8.633
  356    HA   ALA  47           HA       ALA  47   4.845 -38.273  -6.797
  357    HB1  ALA  47           HB1      ALA  47   6.307 -36.151  -8.409
  358    HB2  ALA  47           HB2      ALA  47   6.204 -36.252  -6.637
  359    HB3  ALA  47           HB3      ALA  47   7.064 -37.506  -7.542
  360    H    ALA  48           H        ALA  48   2.516 -38.269  -8.417
  361    HA   ALA  48           HA       ALA  48   1.017 -36.110  -7.259
  362    HB1  ALA  48           HB1      ALA  48   1.449 -36.169 -10.287
  363    HB2  ALA  48           HB2      ALA  48   0.218 -35.193  -9.455
  364    HB3  ALA  48           HB3      ALA  48   1.936 -34.864  -9.190
  365    H    SER  49           H        SER  49  -1.356 -36.324  -8.391
  366    HA   SER  49           HA       SER  49  -2.326 -38.980  -8.069
  367    HB2  SER  49           HB2      SER  49  -4.359 -37.894  -9.229
  368    HB3  SER  49           HB3      SER  49  -3.816 -37.193  -7.694
  369    HG   SER  49           HG       SER  49  -4.216 -35.608  -9.316
  370    H    VAL  50           H        VAL  50  -1.240 -37.100 -10.906
  371    HA   VAL  50           HA       VAL  50  -0.751 -39.567 -12.357
  372    HB   VAL  50           HB       VAL  50  -3.063 -39.039 -13.007
  373   HG11  VAL  50          HG11      VAL  50  -3.124 -36.601 -12.656
  374   HG12  VAL  50          HG12      VAL  50  -2.053 -36.363 -14.053
  375   HG13  VAL  50          HG13      VAL  50  -3.675 -37.043 -14.275
  376   HG21  VAL  50          HG21      VAL  50  -2.810 -39.078 -15.412
  377   HG22  VAL  50          HG22      VAL  50  -1.154 -38.460 -15.301
  378   HG23  VAL  50          HG23      VAL  50  -1.554 -40.070 -14.659
  379    H    MET  51           H        MET  51   1.032 -39.269 -13.746
  380    HA   MET  51           HA       MET  51   2.873 -37.343 -12.934
  381    HB2  MET  51           HB2      MET  51   4.309 -38.160 -14.706
  382    HB3  MET  51           HB3      MET  51   3.473 -39.505 -13.931
  383    HG2  MET  51           HG2      MET  51   1.847 -39.560 -15.825
  384    HG3  MET  51           HG3      MET  51   2.727 -38.239 -16.602
  385    HE1  MET  51           HE1      MET  51   3.511 -41.287 -18.918
  386    HE2  MET  51           HE2      MET  51   1.994 -40.961 -18.052
  387    HE3  MET  51           HE3      MET  51   2.880 -39.627 -18.826
  388    H    SER  52           H        SER  52   0.398 -36.937 -15.414
  389    HA   SER  52           HA       SER  52   1.482 -34.900 -16.953
  390    HB2  SER  52           HB2      SER  52  -1.390 -35.036 -16.004
  391    HB3  SER  52           HB3      SER  52  -0.776 -34.446 -17.560
  392    HG   SER  52           HG       SER  52  -1.637 -36.545 -17.768
  393    H    ALA  53           H        ALA  53   0.418 -34.716 -13.568
  394    HA   ALA  53           HA       ALA  53   0.076 -31.834 -13.536
  395    HB1  ALA  53           HB1      ALA  53  -1.015 -33.347 -11.894
  396    HB2  ALA  53           HB2      ALA  53   0.593 -33.788 -11.269
  397    HB3  ALA  53           HB3      ALA  53   0.003 -32.122 -11.107
  398    H    LEU  54           H        LEU  54   2.909 -33.778 -13.817
  399    HA   LEU  54           HA       LEU  54   4.719 -32.118 -12.259
  400    HB2  LEU  54           HB2      LEU  54   5.178 -33.935 -14.663
  401    HB3  LEU  54           HB3      LEU  54   6.465 -33.099 -13.809
  402    HG   LEU  54           HG       LEU  54   4.599 -35.109 -12.470
  403   HD11  LEU  54          HD11      LEU  54   5.930 -36.209 -14.206
  404   HD12  LEU  54          HD12      LEU  54   7.416 -35.474 -13.572
  405   HD13  LEU  54          HD13      LEU  54   6.518 -36.668 -12.600
  406   HD21  LEU  54          HD21      LEU  54   5.602 -33.564 -10.852
  407   HD22  LEU  54          HD22      LEU  54   6.364 -35.145 -10.715
  408   HD23  LEU  54          HD23      LEU  54   7.217 -33.827 -11.551
  409    H    THR  55           H        THR  55   5.307 -30.110 -12.726
  410    HA   THR  55           HA       THR  55   5.999 -28.309 -13.789
  411    HB   THR  55           HB       THR  55   4.955 -29.232 -16.466
  412    HG1  THR  55           HG1      THR  55   6.302 -30.845 -15.929
  413   HG21  THR  55          HG21      THR  55   5.727 -26.933 -16.535
  414   HG22  THR  55          HG22      THR  55   7.234 -27.351 -15.690
  415   HG23  THR  55          HG23      THR  55   6.934 -27.921 -17.349
  416    H    ASP  56           H        ASP  56   3.219 -29.449 -13.198
  417    HA   ASP  56           HA       ASP  56   2.017 -26.790 -13.087
  418    HB2  ASP  56           HB2      ASP  56   0.927 -27.869 -15.013
  419    HB3  ASP  56           HB3      ASP  56   0.494 -29.253 -14.004
  420    H    LYS  57           H        LYS  57   3.518 -28.105 -11.167
  421    HA   LYS  57           HA       LYS  57   1.532 -28.188  -9.005
  422    HB2  LYS  57           HB2      LYS  57   2.517 -30.049  -7.975
  423    HB3  LYS  57           HB3      LYS  57   2.261 -30.494  -9.669
  424    HG2  LYS  57           HG2      LYS  57   4.623 -30.226 -10.163
  425    HG3  LYS  57           HG3      LYS  57   4.949 -29.612  -8.537
  426    HD2  LYS  57           HD2      LYS  57   3.917 -32.412  -9.139
  427    HD3  LYS  57           HD3      LYS  57   5.613 -31.980  -8.860
  428    HE2  LYS  57           HE2      LYS  57   4.924 -31.043  -6.594
  429    HE3  LYS  57           HE3      LYS  57   3.315 -31.717  -6.863
  430    HZ1  LYS  57           HZ1      LYS  57   5.815 -33.304  -6.740
  431    HZ2  LYS  57           HZ2      LYS  57   4.698 -33.197  -5.549
  432    HZ3  LYS  57           HZ3      LYS  57   4.307 -33.926  -6.952
  433    H    ALA  58           H        ALA  58   2.504 -27.676  -6.938
  434    HA   ALA  58           HA       ALA  58   5.195 -26.477  -6.887
  435    HB1  ALA  58           HB1      ALA  58   3.667 -24.597  -7.472
  436    HB2  ALA  58           HB2      ALA  58   2.691 -24.943  -6.042
  437    HB3  ALA  58           HB3      ALA  58   4.374 -24.398  -5.858
  438    H    ILE  59           H        ILE  59   5.642 -25.823  -4.479
  439    HA   ILE  59           HA       ILE  59   4.241 -27.569  -2.542
  440    HB   ILE  59           HB       ILE  59   7.167 -27.672  -3.312
  441   HG12  ILE  59          HG12      ILE  59   4.989 -29.669  -2.729
  442   HG13  ILE  59          HG13      ILE  59   5.683 -29.309  -4.313
  443   HG21  ILE  59          HG21      ILE  59   7.760 -28.859  -1.242
  444   HG22  ILE  59          HG22      ILE  59   7.173 -27.265  -0.834
  445   HG23  ILE  59          HG23      ILE  59   6.108 -28.671  -0.628
  446   HD11  ILE  59          HD11      ILE  59   6.942 -30.861  -2.032
  447   HD12  ILE  59          HD12      ILE  59   6.555 -31.421  -3.665
  448   HD13  ILE  59          HD13      ILE  59   7.888 -30.273  -3.419
  449    H    VAL  60           H        VAL  60   4.413 -26.833  -0.443
  450    HA   VAL  60           HA       VAL  60   4.782 -23.883  -0.294
  451    HB   VAL  60           HB       VAL  60   3.857 -25.829   1.835
  452   HG11  VAL  60          HG11      VAL  60   4.674 -23.611   2.674
  453   HG12  VAL  60          HG12      VAL  60   3.528 -22.797   1.599
  454   HG13  VAL  60          HG13      VAL  60   2.939 -23.817   2.934
  455   HG21  VAL  60          HG21      VAL  60   2.115 -24.110   0.006
  456   HG22  VAL  60          HG22      VAL  60   2.237 -25.886  -0.053
  457   HG23  VAL  60          HG23      VAL  60   1.551 -25.100   1.364
  458    H    LYS  61           H        LYS  61   6.621 -23.007   0.547
  459    HA   LYS  61           HA       LYS  61   8.603 -24.775   1.908
  460    HB2  LYS  61           HB2      LYS  61   8.791 -23.663  -0.724
  461    HB3  LYS  61           HB3      LYS  61   9.744 -22.597   0.278
  462    HG2  LYS  61           HG2      LYS  61  11.262 -24.220  -0.520
  463    HG3  LYS  61           HG3      LYS  61  10.976 -24.631   1.164
  464    HD2  LYS  61           HD2      LYS  61  10.962 -26.696  -0.045
  465    HD3  LYS  61           HD3      LYS  61   9.295 -26.365   0.389
  466    HE2  LYS  61           HE2      LYS  61   9.215 -27.136  -1.837
  467    HE3  LYS  61           HE3      LYS  61   8.964 -25.395  -1.956
  468    HZ1  LYS  61           HZ1      LYS  61  10.511 -26.142  -3.624
  469    HZ2  LYS  61           HZ2      LYS  61  11.395 -25.269  -2.546
  470    HZ3  LYS  61           HZ3      LYS  61  11.449 -26.916  -2.531
  471    H    LYS  62           H        LYS  62  10.142 -23.522   3.236
  472    HA   LYS  62           HA       LYS  62   9.173 -20.833   4.053
  473    HB2  LYS  62           HB2      LYS  62   8.565 -22.526   5.747
  474    HB3  LYS  62           HB3      LYS  62  10.230 -23.096   5.815
  475    HG2  LYS  62           HG2      LYS  62  10.968 -20.935   6.745
  476    HG3  LYS  62           HG3      LYS  62   9.320 -20.287   6.592
  477    HD2  LYS  62           HD2      LYS  62   8.475 -22.019   8.136
  478    HD3  LYS  62           HD3      LYS  62  10.101 -22.719   8.268
  479    HE2  LYS  62           HE2      LYS  62  10.941 -20.628   9.279
  480    HE3  LYS  62           HE3      LYS  62   9.346 -19.885   9.094
  481    HZ1  LYS  62           HZ1      LYS  62   9.967 -22.216  10.806
  482    HZ2  LYS  62           HZ2      LYS  62   9.594 -20.715  11.322
  483    HZ3  LYS  62           HZ3      LYS  62   8.454 -21.630  10.564
  484    H    GLU  63           H        GLU  63  10.841 -19.309   3.907
  485    HA   GLU  63           HA       GLU  63  13.638 -20.143   3.661
  486    HB2  GLU  63           HB2      GLU  63  12.027 -19.063   1.293
  487    HB3  GLU  63           HB3      GLU  63  13.793 -19.082   1.368
  488    HG2  GLU  63           HG2      GLU  63  13.693 -21.589   1.690
  489    HG3  GLU  63           HG3      GLU  63  11.957 -21.507   1.359
  490    H    LEU  64           H        LEU  64  14.996 -18.160   3.270
  491    HA   LEU  64           HA       LEU  64  14.246 -16.039   5.045
  492    HB2  LEU  64           HB2      LEU  64  16.610 -16.895   4.497
  493    HB3  LEU  64           HB3      LEU  64  16.435 -16.156   2.909
  494    HG   LEU  64           HG       LEU  64  16.018 -13.925   4.230
  495   HD11  LEU  64          HD11      LEU  64  17.516 -15.516   6.365
  496   HD12  LEU  64          HD12      LEU  64  17.038 -13.805   6.437
  497   HD13  LEU  64          HD13      LEU  64  15.809 -15.077   6.478
  498   HD21  LEU  64          HD21      LEU  64  18.461 -13.527   4.366
  499   HD22  LEU  64          HD22      LEU  64  18.751 -15.271   4.197
  500   HD23  LEU  64          HD23      LEU  64  18.011 -14.356   2.868
  501    H    LEU  65           H        LEU  65  13.296 -14.065   4.585
  502    HA   LEU  65           HA       LEU  65  11.748 -13.698   2.262
  503    HB2  LEU  65           HB2      LEU  65  11.381 -12.559   4.423
  504    HB3  LEU  65           HB3      LEU  65  12.810 -11.568   4.184
  505    HG   LEU  65           HG       LEU  65  10.651 -11.574   2.047
  506   HD11  LEU  65          HD11      LEU  65   9.468  -9.740   3.229
  507   HD12  LEU  65          HD12      LEU  65   9.431 -11.213   4.195
  508   HD13  LEU  65          HD13      LEU  65  10.556  -9.916   4.622
  509   HD21  LEU  65          HD21      LEU  65  12.469  -9.348   3.126
  510   HD22  LEU  65          HD22      LEU  65  12.712 -10.205   1.597
  511   HD23  LEU  65          HD23      LEU  65  11.306  -9.198   1.795
  512    H    TYR  66           H        TYR  66  14.979 -12.354   3.045
  513    HA   TYR  66           HA       TYR  66  15.123 -10.737   0.743
  514    HB2  TYR  66           HB2      TYR  66  17.416 -11.914   2.351
  515    HB3  TYR  66           HB3      TYR  66  17.493 -10.508   1.299
  516    HD1  TYR  66           HD1      TYR  66  15.740  -8.563   1.847
  517    HD2  TYR  66           HD2      TYR  66  17.046 -11.554   4.675
  518    HE1  TYR  66           HE1      TYR  66  15.039  -7.099   3.717
  519    HE2  TYR  66           HE2      TYR  66  16.351 -10.100   6.545
  520    HH   TYR  66           HH       TYR  66  15.446  -8.050   7.160
  521    H    ASP  67           H        ASP  67  15.508 -14.209   0.962
  522    HA   ASP  67           HA       ASP  67  17.003 -14.390  -1.578
  523    HB2  ASP  67           HB2      ASP  67  17.307 -16.151   0.109
  524    HB3  ASP  67           HB3      ASP  67  15.580 -16.523   0.059
  525    H    VAL  68           H        VAL  68  13.634 -14.770  -0.335
  526    HA   VAL  68           HA       VAL  68  12.490 -15.503  -2.841
  527    HB   VAL  68           HB       VAL  68  11.151 -14.129  -0.450
  528   HG11  VAL  68          HG11      VAL  68   9.976 -15.867  -2.678
  529   HG12  VAL  68          HG12      VAL  68   9.090 -15.166  -1.309
  530   HG13  VAL  68          HG13      VAL  68   9.785 -14.111  -2.546
  531   HG21  VAL  68          HG21      VAL  68  11.642 -17.078  -1.112
  532   HG22  VAL  68          HG22      VAL  68  12.183 -16.200   0.329
  533   HG23  VAL  68          HG23      VAL  68  10.468 -16.529   0.092
  534    H    ALA  69           H        ALA  69  12.896 -12.301  -1.258
  535    HA   ALA  69           HA       ALA  69  11.867 -10.847  -3.556
  536    HB1  ALA  69           HB1      ALA  69  13.430  -9.825  -1.147
  537    HB2  ALA  69           HB2      ALA  69  12.454  -8.860  -2.281
  538    HB3  ALA  69           HB3      ALA  69  11.663 -10.021  -1.202
  539    H    GLY  70           H        GLY  70  14.649 -12.593  -3.324
  540    HA2  GLY  70           HA2      GLY  70  16.586 -10.760  -4.488
  541    HA3  GLY  70           HA3      GLY  70  16.744 -12.508  -4.237
  542    H    SER  71           H        SER  71  14.456 -10.418  -6.019
  543    HA   SER  71           HA       SER  71  14.978 -11.783  -8.589
  544    HB2  SER  71           HB2      SER  71  12.378 -11.853  -8.784
  545    HB3  SER  71           HB3      SER  71  13.223 -13.143  -7.921
  546    HG   SER  71           HG       SER  71  12.663 -12.242  -5.969
  547    H    ASP  72           H        ASP  72  12.872  -9.367  -6.961
  548    HA   ASP  72           HA       ASP  72  14.308  -7.230  -8.266
  549    HB2  ASP  72           HB2      ASP  72  12.665  -7.696 -10.013
  550    HB3  ASP  72           HB3      ASP  72  11.379  -7.470  -8.840
  551    H    LYS  73           H        LYS  73  11.220  -7.598  -6.509
  552    HA   LYS  73           HA       LYS  73  12.259  -5.847  -4.350
  553    HB2  LYS  73           HB2      LYS  73  10.191  -5.152  -6.453
  554    HB3  LYS  73           HB3      LYS  73  10.206  -4.296  -4.895
  555    HG2  LYS  73           HG2      LYS  73  12.195  -4.243  -7.130
  556    HG3  LYS  73           HG3      LYS  73  11.169  -2.939  -6.594
  557    HD2  LYS  73           HD2      LYS  73  12.479  -2.502  -4.673
  558    HD3  LYS  73           HD3      LYS  73  13.342  -4.033  -4.763
  559    HE2  LYS  73           HE2      LYS  73  13.567  -1.780  -6.808
  560    HE3  LYS  73           HE3      LYS  73  14.727  -2.134  -5.524
  561    HZ1  LYS  73           HZ1      LYS  73  14.943  -4.390  -6.570
  562    HZ2  LYS  73           HZ2      LYS  73  14.108  -3.872  -7.856
  563    HZ3  LYS  73           HZ3      LYS  73  15.537  -3.150  -7.483
  564    H    TYR  74           H        TYR  74  10.293  -5.313  -2.827
  565    HA   TYR  74           HA       TYR  74   8.033  -7.108  -2.991
  566    HB2  TYR  74           HB2      TYR  74   8.367  -8.335  -1.026
  567    HB3  TYR  74           HB3      TYR  74   9.848  -8.508  -1.919
  568    HD1  TYR  74           HD1      TYR  74  11.823  -6.784  -1.183
  569    HD2  TYR  74           HD2      TYR  74   8.350  -7.657   1.223
  570    HE1  TYR  74           HE1      TYR  74  12.967  -5.858   0.803
  571    HE2  TYR  74           HE2      TYR  74   9.509  -6.792   3.223
  572    HH   TYR  74           HH       TYR  74  12.732  -5.245   3.054
  573    H    GLN  75           H        GLN  75   6.465  -6.681  -1.184
  574    HA   GLN  75           HA       GLN  75   6.982  -4.565   0.658
  575    HB2  GLN  75           HB2      GLN  75   5.168  -3.037   0.017
  576    HB3  GLN  75           HB3      GLN  75   6.457  -3.089  -1.177
  577    HG2  GLN  75           HG2      GLN  75   5.041  -4.657  -2.560
  578    HG3  GLN  75           HG3      GLN  75   3.719  -4.405  -1.414
  579   HE21  GLN  75          HE22      GLN  75   3.505  -3.802  -4.190
  580   HE22  GLN  75          HE21      GLN  75   3.398  -2.055  -4.378
  581    H    VAL  76           H        VAL  76   5.077  -4.281   2.180
  582    HA   VAL  76           HA       VAL  76   3.654  -6.787   2.656
  583    HB   VAL  76           HB       VAL  76   3.526  -4.014   3.933
  584   HG11  VAL  76          HG11      VAL  76   1.341  -5.042   4.281
  585   HG12  VAL  76          HG12      VAL  76   2.093  -6.573   4.784
  586   HG13  VAL  76          HG13      VAL  76   2.249  -5.117   5.788
  587   HG21  VAL  76          HG21      VAL  76   5.628  -5.307   4.396
  588   HG22  VAL  76          HG22      VAL  76   4.638  -5.026   5.832
  589   HG23  VAL  76          HG23      VAL  76   4.636  -6.621   5.059
  590    H    ASN  77           H        ASN  77   1.483  -7.114   2.157
  591    HA   ASN  77           HA       ASN  77  -0.208  -4.899   1.301
  592    HB2  ASN  77           HB2      ASN  77   0.902  -5.463  -0.844
  593    HB3  ASN  77           HB3      ASN  77   0.319  -7.120  -0.709
  594   HD21  ASN  77          HD21      ASN  77  -0.422  -6.017  -2.947
  595   HD22  ASN  77          HD22      ASN  77  -2.084  -5.422  -2.932
  596    H    ASN  78           H        ASN  78  -1.094  -5.642   3.346
  597    HA   ASN  78           HA       ASN  78  -2.272  -8.291   3.601
  598    HB2  ASN  78           HB2      ASN  78  -2.641  -5.747   5.239
  599    HB3  ASN  78           HB3      ASN  78  -3.402  -7.299   5.590
  600   HD21  ASN  78          HD22      ASN  78  -1.046  -5.522   6.837
  601   HD22  ASN  78          HD21      ASN  78   0.049  -6.796   7.337
  602    H    LYS  79           H        LYS  79  -3.450  -8.347   1.565
  603    HA   LYS  79           HA       LYS  79  -5.328  -6.466   0.749
  604    HB2  LYS  79           HB2      LYS  79  -5.373  -9.482   0.292
  605    HB3  LYS  79           HB3      LYS  79  -6.440  -8.323  -0.510
  606    HG2  LYS  79           HG2      LYS  79  -4.349  -7.089  -1.313
  607    HG3  LYS  79           HG3      LYS  79  -3.401  -8.438  -0.684
  608    HD2  LYS  79           HD2      LYS  79  -3.693  -8.709  -3.057
  609    HD3  LYS  79           HD3      LYS  79  -4.607  -9.982  -2.235
  610    HE2  LYS  79           HE2      LYS  79  -6.706  -8.801  -2.610
  611    HE3  LYS  79           HE3      LYS  79  -5.854  -7.364  -3.198
  612    HZ1  LYS  79           HZ1      LYS  79  -5.790  -9.999  -4.562
  613    HZ2  LYS  79           HZ2      LYS  79  -6.776  -8.753  -4.987
  614    HZ3  LYS  79           HZ3      LYS  79  -5.157  -8.598  -5.123
  615    H    HIS  80           H        HIS  80  -7.235  -5.818   1.372
  616    HA   HIS  80           HA       HIS  80  -9.155  -5.511   2.414
  617    HB2  HIS  80           HB2      HIS  80  -9.472  -8.494   2.666
  618    HB3  HIS  80           HB3      HIS  80 -10.703  -7.236   2.706
  619    HD2  HIS  80           HD2      HIS  80 -10.544  -5.598   0.216
  620    HE1  HIS  80           HE1      HIS  80  -9.924  -9.098  -2.132
  621    HE2  HIS  80           HE2      HIS  80 -10.586  -6.641  -2.194
  622    H    ASP  81           H        ASP  81  -6.632  -5.965   4.147
  623    HA   ASP  81           HA       ASP  81  -7.569  -6.607   6.788
  624    HB2  ASP  81           HB2      ASP  81  -5.245  -6.420   6.270
  625    HB3  ASP  81           HB3      ASP  81  -5.420  -4.757   5.707
  626    H    ASP  82           H        ASP  82  -8.867  -4.381   4.737
  627    HA   ASP  82           HA       ASP  82  -9.196  -2.074   6.571
  628    HB2  ASP  82           HB2      ASP  82  -8.889  -1.650   4.167
  629    HB3  ASP  82           HB3      ASP  82 -10.273  -2.679   3.786
  630    H    LYS  83           H        LYS  83 -10.803  -5.013   5.522
  631    HA   LYS  83           HA       LYS  83 -13.268  -4.286   7.012
  632    HB2  LYS  83           HB2      LYS  83 -14.476  -5.415   5.192
  633    HB3  LYS  83           HB3      LYS  83 -13.575  -3.963   4.692
  634    HG2  LYS  83           HG2      LYS  83 -11.889  -5.269   3.583
  635    HG3  LYS  83           HG3      LYS  83 -12.534  -6.769   4.245
  636    HD2  LYS  83           HD2      LYS  83 -13.178  -6.588   1.926
  637    HD3  LYS  83           HD3      LYS  83 -14.624  -6.450   2.937
  638    HE2  LYS  83           HE2      LYS  83 -14.552  -3.971   2.693
  639    HE3  LYS  83           HE3      LYS  83 -13.095  -4.108   1.701
  640    HZ1  LYS  83           HZ1      LYS  83 -15.073  -3.875   0.343
  641    HZ2  LYS  83           HZ2      LYS  83 -14.411  -5.336   0.065
  642    HZ3  LYS  83           HZ3      LYS  83 -15.756  -5.203   0.986
  643    H    TYR  84           H        TYR  84 -10.986  -6.881   6.213
  644    HA   TYR  84           HA       TYR  84 -12.306  -8.503   8.347
  645    HB2  TYR  84           HB2      TYR  84 -11.429  -9.487   5.604
  646    HB3  TYR  84           HB3      TYR  84 -11.890 -10.519   6.951
  647    HD1  TYR  84           HD2      TYR  84 -14.249 -10.045   8.044
  648    HD2  TYR  84           HD1      TYR  84 -13.101  -8.946   4.041
  649    HE1  TYR  84           HE2      TYR  84 -16.641  -9.976   7.392
  650    HE2  TYR  84           HE1      TYR  84 -15.494  -8.874   3.364
  651    HH   TYR  84           HH       TYR  84 -18.163  -9.584   5.670
  652    H    SER  85           H        SER  85 -11.045  -9.692   9.562
  653    HA   SER  85           HA       SER  85  -8.387 -10.565   9.030
  654    HB2  SER  85           HB2      SER  85  -8.703  -8.457  11.213
  655    HB3  SER  85           HB3      SER  85  -7.297  -9.514  10.964
  656    HG   SER  85           HG       SER  85  -7.082  -7.383  10.041
  657    HA   PRO  86           HA       PRO  86 -11.429 -12.622  11.945
  658    HB2  PRO  86           HB2      PRO  86 -11.414 -15.150  10.847
  659    HB3  PRO  86           HB3      PRO  86 -12.476 -13.812  10.288
  660    HG2  PRO  86           HG2      PRO  86  -9.833 -14.743   9.153
  661    HG3  PRO  86           HG3      PRO  86 -11.346 -14.360   8.265
  662    HD2  PRO  86           HD2      PRO  86  -9.312 -12.560   8.462
  663    HD3  PRO  86           HD3      PRO  86 -11.023 -12.038   8.544
  664    H    LEU  87           H        LEU  87  -8.114 -13.241  11.138
  665    HA   LEU  87           HA       LEU  87  -7.831 -15.208  13.365
  666    HB2  LEU  87           HB2      LEU  87  -6.344 -15.000  10.723
  667    HB3  LEU  87           HB3      LEU  87  -5.890 -16.082  12.029
  668    HG   LEU  87           HG       LEU  87  -8.577 -16.173  10.579
  669   HD11  LEU  87          HD11      LEU  87  -7.696 -18.199   9.483
  670   HD12  LEU  87          HD12      LEU  87  -6.767 -16.752   9.070
  671   HD13  LEU  87          HD13      LEU  87  -6.107 -17.914  10.238
  672   HD21  LEU  87          HD21      LEU  87  -7.309 -18.125  12.548
  673   HD22  LEU  87          HD22      LEU  87  -8.746 -17.115  12.841
  674   HD23  LEU  87          HD23      LEU  87  -8.809 -18.399  11.638
  675    HA   PRO  88           HA       PRO  88  -4.964 -11.975  14.790
  676    HB2  PRO  88           HB2      PRO  88  -4.106 -13.148  17.097
  677    HB3  PRO  88           HB3      PRO  88  -5.736 -12.419  16.946
  678    HG2  PRO  88           HG2      PRO  88  -4.960 -15.332  16.677
  679    HG3  PRO  88           HG3      PRO  88  -6.309 -14.633  17.627
  680    HD2  PRO  88           HD2      PRO  88  -6.640 -15.680  15.111
  681    HD3  PRO  88           HD3      PRO  88  -7.615 -14.299  15.698
  682    H    CYS  89           H        CYS  89  -2.583 -11.952  15.148
  683    HA   CYS  89           HA       CYS  89  -1.295 -13.066  13.014
  684    HB2  CYS  89           HB2      CYS  89   0.849 -12.472  14.226
  685    HB3  CYS  89           HB3      CYS  89  -0.339 -11.177  14.054
  686    HG   CYS  89           HG       CYS  89   0.833 -10.970  16.377
  687    H    SER  90           H        SER  90  -1.159 -14.444  16.352
  688    HA   SER  90           HA       SER  90   0.600 -16.488  15.915
  689    HB2  SER  90           HB2      SER  90  -1.931 -16.776  17.573
  690    HB3  SER  90           HB3      SER  90  -0.346 -17.512  17.866
  691    HG   SER  90           HG       SER  90  -0.703 -15.680  19.195
  692    H    LYS  91           H        LYS  91  -2.897 -16.595  15.181
  693    HA   LYS  91           HA       LYS  91  -2.939 -19.353  14.391
  694    HB2  LYS  91           HB2      LYS  91  -4.901 -17.128  13.842
  695    HB3  LYS  91           HB3      LYS  91  -5.109 -18.841  13.418
  696    HG2  LYS  91           HG2      LYS  91  -4.542 -19.305  15.944
  697    HG3  LYS  91           HG3      LYS  91  -4.918 -17.592  16.184
  698    HD2  LYS  91           HD2      LYS  91  -7.161 -18.012  15.114
  699    HD3  LYS  91           HD3      LYS  91  -6.703 -19.731  14.975
  700    HE2  LYS  91           HE2      LYS  91  -6.425 -19.844  17.448
  701    HE3  LYS  91           HE3      LYS  91  -6.884 -18.144  17.586
  702    HZ1  LYS  91           HZ1      LYS  91  -9.077 -18.736  16.712
  703    HZ2  LYS  91           HZ2      LYS  91  -8.646 -20.309  16.582
  704    HZ3  LYS  91           HZ3      LYS  91  -8.746 -19.608  18.046
  705    H    ILE  92           H        ILE  92  -2.228 -16.305  12.637
  706    HA   ILE  92           HA       ILE  92  -2.309 -17.479  10.019
  707    HB   ILE  92           HB       ILE  92  -0.606 -15.134  10.964
  708   HG12  ILE  92          HG12      ILE  92  -3.477 -15.087   9.921
  709   HG13  ILE  92          HG13      ILE  92  -3.004 -14.789  11.583
  710   HG21  ILE  92          HG21      ILE  92  -1.676 -15.883   8.221
  711   HG22  ILE  92          HG22      ILE  92  -0.693 -14.458   8.603
  712   HG23  ILE  92          HG23      ILE  92   0.005 -16.058   8.771
  713   HD11  ILE  92          HD11      ILE  92  -2.284 -13.048   9.226
  714   HD12  ILE  92          HD12      ILE  92  -3.383 -12.680  10.571
  715   HD13  ILE  92          HD13      ILE  92  -1.630 -12.850  10.859
  716    H    ILE  93           H        ILE  93   0.368 -16.970  12.426
  717    HA   ILE  93           HA       ILE  93   2.381 -18.274  10.933
  718    HB   ILE  93           HB       ILE  93   2.103 -18.404  13.966
  719   HG12  ILE  93          HG12      ILE  93   1.861 -16.092  13.509
  720   HG13  ILE  93          HG13      ILE  93   3.462 -16.365  14.128
  721   HG21  ILE  93          HG21      ILE  93   3.836 -19.820  13.088
  722   HG22  ILE  93          HG22      ILE  93   4.497 -18.499  12.101
  723   HG23  ILE  93          HG23      ILE  93   4.587 -18.429  13.879
  724   HD11  ILE  93          HD11      ILE  93   2.782 -15.903  11.184
  725   HD12  ILE  93          HD12      ILE  93   3.476 -14.723  12.307
  726   HD13  ILE  93          HD13      ILE  93   4.410 -16.162  11.863
  727    H    GLN  94           H        GLN  94   0.041 -19.600  13.302
  728    HA   GLN  94           HA       GLN  94   0.856 -22.287  13.235
  729    HB2  GLN  94           HB2      GLN  94  -1.832 -20.948  13.702
  730    HB3  GLN  94           HB3      GLN  94  -1.683 -22.694  13.754
  731    HG2  GLN  94           HG2      GLN  94  -0.178 -20.723  15.529
  732    HG3  GLN  94           HG3      GLN  94  -1.578 -21.682  15.990
  733   HE21  GLN  94          HE22      GLN  94  -1.014 -24.236  15.008
  734   HE22  GLN  94          HE21      GLN  94   0.442 -24.846  15.751
  735    H    ARG  95           H        ARG  95  -1.440 -20.601  11.051
  736    HA   ARG  95           HA       ARG  95  -2.125 -22.905   9.477
  737    HB2  ARG  95           HB2      ARG  95  -2.113 -19.935   8.862
  738    HB3  ARG  95           HB3      ARG  95  -2.643 -21.156   7.716
  739    HG2  ARG  95           HG2      ARG  95  -3.915 -21.577  10.342
  740    HG3  ARG  95           HG3      ARG  95  -4.188 -19.945   9.734
  741    HD2  ARG  95           HD2      ARG  95  -5.960 -21.454   9.017
  742    HD3  ARG  95           HD3      ARG  95  -5.058 -20.785   7.650
  743    HE   ARG  95           HE       ARG  95  -4.442 -23.524   8.684
  744   HH11  ARG  95          HH21      ARG  95  -5.610 -21.512   5.924
  745   HH12  ARG  95          HH22      ARG  95  -5.647 -22.882   4.851
  746   HH21  ARG  95          HH11      ARG  95  -4.517 -25.184   7.302
  747   HH22  ARG  95          HH12      ARG  95  -5.101 -25.019   5.649
  748    H    ALA  96           H        ALA  96   0.458 -20.397   9.047
  749    HA   ALA  96           HA       ALA  96   1.479 -21.451   6.622
  750    HB1  ALA  96           HB1      ALA  96   3.005 -19.966   8.813
  751    HB2  ALA  96           HB2      ALA  96   3.426 -20.073   7.097
  752    HB3  ALA  96           HB3      ALA  96   1.983 -19.182   7.591
  753    H    GLU  97           H        GLU  97   2.359 -22.114  10.002
  754    HA   GLU  97           HA       GLU  97   4.452 -23.977   9.454
  755    HB2  GLU  97           HB2      GLU  97   2.744 -23.386  11.902
  756    HB3  GLU  97           HB3      GLU  97   4.047 -24.563  11.932
  757    HG2  GLU  97           HG2      GLU  97   4.432 -21.630  11.188
  758    HG3  GLU  97           HG3      GLU  97   4.658 -22.286  12.804
  759    H    GLU  98           H        GLU  98   0.933 -24.417   9.385
  760    HA   GLU  98           HA       GLU  98   1.044 -27.262   9.879
  761    HB2  GLU  98           HB2      GLU  98  -0.888 -26.254  10.673
  762    HB3  GLU  98           HB3      GLU  98  -0.985 -25.102   9.350
  763    HG2  GLU  98           HG2      GLU  98  -1.732 -26.774   7.820
  764    HG3  GLU  98           HG3      GLU  98  -1.614 -28.035   9.063
  765    H    LEU  99           H        LEU  99   1.189 -24.973   7.207
  766    HA   LEU  99           HA       LEU  99   0.710 -27.134   5.238
  767    HB2  LEU  99           HB2      LEU  99   0.793 -24.126   4.934
  768    HB3  LEU  99           HB3      LEU  99   0.358 -25.280   3.670
  769    HG   LEU  99           HG       LEU  99  -1.166 -24.915   6.295
  770   HD11  LEU  99          HD11      LEU  99  -2.816 -23.731   4.991
  771   HD12  LEU  99          HD12      LEU  99  -1.236 -23.004   4.690
  772   HD13  LEU  99          HD13      LEU  99  -1.965 -24.077   3.474
  773   HD21  LEU  99          HD21      LEU  99  -1.808 -26.590   3.820
  774   HD22  LEU  99          HD22      LEU  99  -1.501 -27.180   5.467
  775   HD23  LEU  99          HD23      LEU  99  -2.951 -26.242   5.137
  776    H    VAL 100           H        VAL 100   3.471 -25.155   6.307
  777    HA   VAL 100           HA       VAL 100   5.036 -25.372   4.002
  778    HB   VAL 100           HB       VAL 100   5.709 -24.065   5.904
  779   HG11  VAL 100          HG11      VAL 100   4.970 -25.547   7.753
  780   HG12  VAL 100          HG12      VAL 100   6.323 -26.639   7.408
  781   HG13  VAL 100          HG13      VAL 100   6.631 -24.979   7.954
  782   HG21  VAL 100          HG21      VAL 100   7.748 -26.240   5.258
  783   HG22  VAL 100          HG22      VAL 100   7.477 -24.731   4.357
  784   HG23  VAL 100          HG23      VAL 100   8.109 -24.692   6.012
  785    H    GLY 101           H        GLY 101   6.101 -26.951   2.931
  786    HA2  GLY 101           HA2      GLY 101   7.063 -28.980   2.515
  787    HA3  GLY 101           HA3      GLY 101   6.545 -29.594   4.092
  788    H    GLN 102           H        GLN 102   3.734 -28.256   2.769
  789    HA   GLN 102           HA       GLN 102   2.862 -30.913   1.792
  790    HB2  GLN 102           HB2      GLN 102   1.283 -28.367   2.383
  791    HB3  GLN 102           HB3      GLN 102   0.615 -29.810   1.629
  792    HG2  GLN 102           HG2      GLN 102   1.440 -31.172   3.563
  793    HG3  GLN 102           HG3      GLN 102   1.868 -29.668   4.395
  794   HE21  GLN 102          HE22      GLN 102   0.279 -29.324   6.032
  795   HE22  GLN 102          HE21      GLN 102  -1.419 -29.618   5.781
  796    H    GLU 103           H        GLU 103   1.491 -30.881  -0.165
  797    HA   GLU 103           HA       GLU 103   2.944 -29.413  -2.322
  798    HB2  GLU 103           HB2      GLU 103   1.663 -32.148  -2.610
  799    HB3  GLU 103           HB3      GLU 103   2.824 -31.349  -3.670
  800    HG2  GLU 103           HG2      GLU 103   4.567 -31.659  -1.849
  801    HG3  GLU 103           HG3      GLU 103   3.368 -32.549  -0.918
  802    H    VAL 104           H        VAL 104   1.728 -28.728  -4.143
  803    HA   VAL 104           HA       VAL 104  -1.190 -29.192  -4.087
  804    HB   VAL 104           HB       VAL 104  -1.392 -26.853  -4.870
  805   HG11  VAL 104          HG11      VAL 104  -1.432 -25.838  -2.628
  806   HG12  VAL 104          HG12      VAL 104  -2.003 -27.510  -2.554
  807   HG13  VAL 104          HG13      VAL 104  -0.360 -27.106  -2.010
  808   HG21  VAL 104          HG21      VAL 104   0.929 -26.318  -5.455
  809   HG22  VAL 104          HG22      VAL 104   0.278 -25.160  -4.297
  810   HG23  VAL 104          HG23      VAL 104   1.399 -26.412  -3.740
  811    H    LEU 105           H        LEU 105  -2.098 -29.299  -6.153
  812    HA   LEU 105           HA       LEU 105  -0.073 -29.861  -8.277
  813    HB2  LEU 105           HB2      LEU 105  -2.855 -30.945  -7.933
  814    HB3  LEU 105           HB3      LEU 105  -1.727 -31.313  -9.247
  815    HG   LEU 105           HG       LEU 105  -1.378 -32.060  -6.309
  816   HD11  LEU 105          HD11      LEU 105  -1.801 -33.791  -8.780
  817   HD12  LEU 105          HD12      LEU 105  -1.580 -34.370  -7.109
  818   HD13  LEU 105          HD13      LEU 105  -3.018 -33.434  -7.538
  819   HD21  LEU 105          HD21      LEU 105   0.837 -31.604  -7.190
  820   HD22  LEU 105          HD22      LEU 105   0.629 -33.349  -7.079
  821   HD23  LEU 105          HD23      LEU 105   0.503 -32.549  -8.662
  822    H    TYR 106           H        TYR 106  -0.377 -27.486  -8.013
  823    HA   TYR 106           HA       TYR 106  -1.466 -26.636 -10.562
  824    HB2  TYR 106           HB2      TYR 106  -2.338 -24.487  -9.700
  825    HB3  TYR 106           HB3      TYR 106  -3.300 -25.878  -9.279
  826    HD1  TYR 106           HD2      TYR 106  -0.552 -23.711  -7.773
  827    HD2  TYR 106           HD1      TYR 106  -4.135 -26.039  -7.116
  828    HE1  TYR 106           HE2      TYR 106  -0.619 -22.948  -5.432
  829    HE2  TYR 106           HE1      TYR 106  -4.230 -25.233  -4.778
  830    HH   TYR 106           HH       TYR 106  -1.812 -22.938  -3.433
  831    H    LYS 107           H        LYS 107  -0.127 -25.127 -11.533
  832    HA   LYS 107           HA       LYS 107   2.511 -24.919 -10.746
  833    HB2  LYS 107           HB2      LYS 107   0.967 -24.386 -12.982
  834    HB3  LYS 107           HB3      LYS 107   1.165 -22.747 -12.399
  835    HG2  LYS 107           HG2      LYS 107   3.701 -23.228 -12.426
  836    HG3  LYS 107           HG3      LYS 107   3.266 -24.762 -13.214
  837    HD2  LYS 107           HD2      LYS 107   2.076 -23.375 -15.013
  838    HD3  LYS 107           HD3      LYS 107   2.684 -21.929 -14.202
  839    HE2  LYS 107           HE2      LYS 107   4.236 -22.229 -15.907
  840    HE3  LYS 107           HE3      LYS 107   5.047 -22.931 -14.505
  841    HZ1  LYS 107           HZ1      LYS 107   4.263 -25.143 -15.336
  842    HZ2  LYS 107           HZ2      LYS 107   3.646 -24.409 -16.662
  843    HZ3  LYS 107           HZ3      LYS 107   5.253 -24.374 -16.400
  844    H    LEU 108           H        LEU 108   3.761 -22.864 -10.496
  845    HA   LEU 108           HA       LEU 108   2.796 -21.044  -8.435
  846    HB2  LEU 108           HB2      LEU 108   5.157 -20.808 -10.389
  847    HB3  LEU 108           HB3      LEU 108   4.815 -19.723  -9.062
  848    HG   LEU 108           HG       LEU 108   6.610 -21.044  -8.386
  849   HD11  LEU 108          HD11      LEU 108   4.945 -20.655  -6.638
  850   HD12  LEU 108          HD12      LEU 108   4.135 -22.187  -7.039
  851   HD13  LEU 108          HD13      LEU 108   5.782 -22.195  -6.394
  852   HD21  LEU 108          HD21      LEU 108   5.095 -23.619  -8.973
  853   HD22  LEU 108          HD22      LEU 108   6.369 -22.915  -9.995
  854   HD23  LEU 108          HD23      LEU 108   6.734 -23.444  -8.352
  855    H    THR 109           H        THR 109   1.457 -19.323  -8.859
  856    HA   THR 109           HA       THR 109   1.840 -17.759 -11.277
  857    HB   THR 109           HB       THR 109  -0.560 -17.511 -11.725
  858    HG1  THR 109           HG1      THR 109  -2.012 -19.025 -10.824
  859   HG21  THR 109          HG21      THR 109   0.115 -20.477 -11.872
  860   HG22  THR 109          HG22      THR 109  -1.047 -19.582 -12.870
  861   HG23  THR 109          HG23      THR 109   0.683 -19.250 -13.032
  862    H    SER 110           H        SER 110   1.001 -15.537 -10.884
  863    HA   SER 110           HA       SER 110   1.333 -14.510  -8.317
  864    HB2  SER 110           HB2      SER 110  -0.442 -13.505 -10.595
  865    HB3  SER 110           HB3      SER 110   0.145 -12.544  -9.237
  866    HG   SER 110           HG       SER 110   2.302 -13.130  -9.944
  867    H    GLU 111           H        GLU 111  -1.693 -15.671  -9.900
  868    HA   GLU 111           HA       GLU 111  -3.446 -14.963  -7.723
  869    HB2  GLU 111           HB2      GLU 111  -4.152 -15.293 -10.084
  870    HB3  GLU 111           HB3      GLU 111  -3.744 -17.012  -9.968
  871    HG2  GLU 111           HG2      GLU 111  -5.450 -17.328  -8.227
  872    HG3  GLU 111           HG3      GLU 111  -5.786 -15.593  -8.205
  873    H    ASN 112           H        ASN 112  -1.820 -18.105  -8.584
  874    HA   ASN 112           HA       ASN 112  -3.227 -19.480  -6.518
  875    HB2  ASN 112           HB2      ASN 112  -0.645 -20.093  -8.017
  876    HB3  ASN 112           HB3      ASN 112  -1.269 -21.151  -6.769
  877   HD21  ASN 112          HD22      ASN 112  -0.931 -21.873  -9.570
  878   HD22  ASN 112          HD21      ASN 112  -2.529 -22.232 -10.196
  879    H    CYS 113           H        CYS 113  -0.042 -17.828  -6.491
  880    HA   CYS 113           HA       CYS 113   0.573 -18.685  -3.817
  881    HB2  CYS 113           HB2      CYS 113   1.585 -16.279  -5.397
  882    HB3  CYS 113           HB3      CYS 113   2.325 -16.963  -3.936
  883    HG   CYS 113           HG       CYS 113   3.689 -17.641  -6.092
  884    H    GLU 114           H        GLU 114  -1.009 -15.697  -5.157
  885    HA   GLU 114           HA       GLU 114  -1.278 -14.302  -2.708
  886    HB2  GLU 114           HB2      GLU 114  -1.679 -13.375  -5.001
  887    HB3  GLU 114           HB3      GLU 114  -3.168 -14.315  -5.102
  888    HG2  GLU 114           HG2      GLU 114  -3.990 -13.102  -3.045
  889    HG3  GLU 114           HG3      GLU 114  -2.539 -12.104  -3.097
  890    H    HIS 115           H        HIS 115  -3.400 -16.666  -4.346
  891    HA   HIS 115           HA       HIS 115  -5.556 -16.615  -2.528
  892    HB2  HIS 115           HB2      HIS 115  -4.499 -18.477  -4.656
  893    HB3  HIS 115           HB3      HIS 115  -5.752 -19.073  -3.572
  894    HD2  HIS 115           HD2      HIS 115  -7.010 -19.199  -6.115
  895    HE1  HIS 115           HE1      HIS 115  -8.315 -15.148  -5.932
  896    HE2  HIS 115           HE2      HIS 115  -8.650 -17.393  -7.086
  897    H    PHE 116           H        PHE 116  -2.645 -18.801  -2.645
  898    HA   PHE 116           HA       PHE 116  -3.378 -20.284  -0.372
  899    HB2  PHE 116           HB2      PHE 116  -1.600 -21.135  -1.686
  900    HB3  PHE 116           HB3      PHE 116  -0.734 -19.605  -1.675
  901    HD1  PHE 116           HD1      PHE 116  -1.524 -22.623   0.378
  902    HD2  PHE 116           HD2      PHE 116   0.760 -18.983   0.088
  903    HE1  PHE 116           HE1      PHE 116  -0.130 -23.323   2.309
  904    HE2  PHE 116           HE2      PHE 116   2.071 -19.626   2.087
  905    HZ   PHE 116           HZ       PHE 116   1.634 -21.817   3.196
  906    H    VAL 117           H        VAL 117  -1.298 -17.322  -0.479
  907    HA   VAL 117           HA       VAL 117  -0.950 -17.409   2.346
  908    HB   VAL 117           HB       VAL 117  -0.054 -15.195   2.264
  909   HG11  VAL 117          HG11      VAL 117   1.777 -15.552   0.723
  910   HG12  VAL 117          HG12      VAL 117   1.366 -17.063   1.548
  911   HG13  VAL 117          HG13      VAL 117   0.880 -16.785  -0.147
  912   HG21  VAL 117          HG21      VAL 117  -0.824 -15.033  -0.669
  913   HG22  VAL 117          HG22      VAL 117  -1.629 -14.128   0.626
  914   HG23  VAL 117          HG23      VAL 117   0.076 -13.831   0.271
  915    H    ASN 118           H        ASN 118  -3.597 -16.025   0.441
  916    HA   ASN 118           HA       ASN 118  -4.751 -14.583   2.672
  917    HB2  ASN 118           HB2      ASN 118  -5.754 -15.393  -0.059
  918    HB3  ASN 118           HB3      ASN 118  -6.899 -14.878   1.182
  919   HD21  ASN 118          HD22      ASN 118  -3.966 -13.817  -0.601
  920   HD22  ASN 118          HD21      ASN 118  -4.138 -12.116  -0.188
  921    H    GLU 119           H        GLU 119  -4.981 -17.947   1.535
  922    HA   GLU 119           HA       GLU 119  -6.971 -18.822   3.275
  923    HB2  GLU 119           HB2      GLU 119  -5.409 -19.998   1.361
  924    HB3  GLU 119           HB3      GLU 119  -4.632 -20.622   2.828
  925    HG2  GLU 119           HG2      GLU 119  -7.071 -21.174   3.581
  926    HG3  GLU 119           HG3      GLU 119  -7.485 -20.894   1.887
  927    H    LEU 120           H        LEU 120  -3.953 -17.478   4.175
  928    HA   LEU 120           HA       LEU 120  -3.915 -18.908   6.748
  929    HB2  LEU 120           HB2      LEU 120  -1.802 -17.024   5.746
  930    HB3  LEU 120           HB3      LEU 120  -1.648 -18.287   6.961
  931    HG   LEU 120           HG       LEU 120  -1.972 -18.644   3.957
  932   HD11  LEU 120          HD11      LEU 120   0.210 -17.878   4.440
  933   HD12  LEU 120          HD12      LEU 120   0.400 -19.027   5.794
  934   HD13  LEU 120          HD13      LEU 120   0.331 -19.604   4.118
  935   HD21  LEU 120          HD21      LEU 120  -3.006 -20.557   5.288
  936   HD22  LEU 120          HD22      LEU 120  -1.725 -20.954   4.152
  937   HD23  LEU 120          HD23      LEU 120  -1.361 -20.885   5.894
  938    H    ARG 121           H        ARG 121  -3.934 -15.566   5.331
  939    HA   ARG 121           HA       ARG 121  -4.155 -14.339   7.942
  940    HB2  ARG 121           HB2      ARG 121  -3.253 -13.311   5.750
  941    HB3  ARG 121           HB3      ARG 121  -4.949 -13.066   5.295
  942    HG2  ARG 121           HG2      ARG 121  -5.200 -11.810   7.550
  943    HG3  ARG 121           HG3      ARG 121  -3.449 -11.952   7.703
  944    HD2  ARG 121           HD2      ARG 121  -3.694  -9.831   6.779
  945    HD3  ARG 121           HD3      ARG 121  -3.301 -10.856   5.400
  946    HE   ARG 121           HE       ARG 121  -5.355 -10.376   4.471
  947   HH11  ARG 121          HH11      ARG 121  -5.507  -9.511   7.924
  948   HH12  ARG 121          HH12      ARG 121  -7.098  -8.840   7.830
  949   HH21  ARG 121          HH21      ARG 121  -7.381  -9.302   4.338
  950   HH22  ARG 121          HH22      ARG 121  -8.221  -8.863   5.818
  951    H    TYR 122           H        TYR 122  -6.529 -15.334   5.463
  952    HA   TYR 122           HA       TYR 122  -8.723 -14.407   7.252
  953    HB2  TYR 122           HB2      TYR 122  -8.599 -13.102   5.277
  954    HB3  TYR 122           HB3      TYR 122  -8.482 -14.524   4.240
  955    HD1  TYR 122           HD2      TYR 122 -10.735 -12.384   6.225
  956    HD2  TYR 122           HD1      TYR 122 -10.490 -15.792   3.609
  957    HE1  TYR 122           HE2      TYR 122 -13.203 -12.354   5.962
  958    HE2  TYR 122           HE1      TYR 122 -12.945 -15.765   3.319
  959    HH   TYR 122           HH       TYR 122 -15.052 -13.355   4.960
  960    H    GLY 123           H        GLY 123  -7.221 -17.241   6.015
  961    HA2  GLY 123           HA2      GLY 123  -7.752 -19.376   6.817
  962    HA3  GLY 123           HA3      GLY 123  -9.377 -18.841   7.228
  963    H    VAL 124           H        VAL 124  -9.157 -17.640   4.209
  964    HA   VAL 124           HA       VAL 124  -9.534 -20.094   2.653
  965    HB   VAL 124           HB       VAL 124 -11.645 -17.899   2.571
  966   HG11  VAL 124          HG11      VAL 124 -11.651 -20.796   1.603
  967   HG12  VAL 124          HG12      VAL 124 -12.980 -19.632   1.418
  968   HG13  VAL 124          HG13      VAL 124 -11.456 -19.358   0.577
  969   HG21  VAL 124          HG21      VAL 124 -11.916 -18.835   4.812
  970   HG22  VAL 124          HG22      VAL 124 -13.221 -19.387   3.768
  971   HG23  VAL 124          HG23      VAL 124 -11.885 -20.491   4.153
  972    H    ALA 125           H        ALA 125  -8.874 -19.666   0.468
  973    HA   ALA 125           HA       ALA 125  -7.370 -17.403  -0.234
  974    HB1  ALA 125           HB1      ALA 125  -7.293 -19.484  -1.522
  975    HB2  ALA 125           HB2      ALA 125  -9.011 -19.301  -1.974
  976    HB3  ALA 125           HB3      ALA 125  -7.815 -18.144  -2.569
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1  -5.477  -1.502  -2.628
    2    H2   MET   1           H2       MET   1  -6.453  -0.609  -1.653
    3    H3   MET   1           H3       MET   1  -5.148   0.077  -2.366
    4    HA   MET   1           HA       MET   1  -4.683  -0.307  -0.065
    5    HB2  MET   1           HB2      MET   1  -6.233  -2.191   0.269
    6    HB3  MET   1           HB3      MET   1  -5.226  -3.234  -0.740
    7    HG2  MET   1           HG2      MET   1  -4.870  -3.646   1.646
    8    HG3  MET   1           HG3      MET   1  -3.394  -3.094   0.868
    9    HE1  MET   1           HE1      MET   1  -2.291  -2.749   3.209
   10    HE2  MET   1           HE2      MET   1  -3.001  -1.775   4.515
   11    HE3  MET   1           HE3      MET   1  -3.788  -3.285   4.008
   12    H    ARG   2           H        ARG   2  -2.549   0.171  -0.019
   13    HA   ARG   2           HA       ARG   2  -0.581  -1.720  -0.972
   14    HB2  ARG   2           HB2      ARG   2  -1.023  -0.446  -3.071
   15    HB3  ARG   2           HB3      ARG   2  -0.737   1.077  -2.221
   16    HG2  ARG   2           HG2      ARG   2   1.616   0.461  -1.849
   17    HG3  ARG   2           HG3      ARG   2   1.337  -1.134  -2.580
   18    HD2  ARG   2           HD2      ARG   2   0.859  -0.056  -4.741
   19    HD3  ARG   2           HD3      ARG   2   1.038   1.549  -3.994
   20    HE   ARG   2           HE       ARG   2   3.390   0.073  -3.444
   21   HH11  ARG   2          HH21      ARG   2   1.834   1.594  -6.262
   22   HH12  ARG   2          HH22      ARG   2   3.318   1.818  -7.111
   23   HH21  ARG   2          HH11      ARG   2   5.269   0.288  -4.537
   24   HH22  ARG   2          HH12      ARG   2   5.364   1.070  -6.090
   25    H    ALA   3           H        ALA   3   1.446  -1.270   0.029
   26    HA   ALA   3           HA       ALA   3   1.938   1.194   1.466
   27    HB1  ALA   3           HB1      ALA   3   0.852  -0.189   3.237
   28    HB2  ALA   3           HB2      ALA   3   1.967  -1.527   2.877
   29    HB3  ALA   3           HB3      ALA   3   2.586  -0.012   3.557
   30    HA   PRO   4           HA       PRO   4   5.954  -0.385  -0.030
   31    HB2  PRO   4           HB2      PRO   4   7.777   1.068   1.382
   32    HB3  PRO   4           HB3      PRO   4   6.710   1.787   0.153
   33    HG2  PRO   4           HG2      PRO   4   6.320   1.811   3.158
   34    HG3  PRO   4           HG3      PRO   4   6.169   3.166   2.004
   35    HD2  PRO   4           HD2      PRO   4   4.008   1.703   2.899
   36    HD3  PRO   4           HD3      PRO   4   4.066   2.454   1.281
   37    H    ILE   5           H        ILE   5   7.553  -0.022   3.002
   38    HA   ILE   5           HA       ILE   5   6.581  -2.536   4.169
   39    HB   ILE   5           HB       ILE   5   8.961  -3.257   4.617
   40   HG12  ILE   5          HG12      ILE   5   9.664  -1.464   2.239
   41   HG13  ILE   5          HG13      ILE   5  10.088  -1.101   3.909
   42   HG21  ILE   5          HG21      ILE   5   8.192  -3.379   1.686
   43   HG22  ILE   5          HG22      ILE   5   9.093  -4.573   2.634
   44   HG23  ILE   5          HG23      ILE   5   7.382  -4.320   2.964
   45   HD11  ILE   5          HD11      ILE   5  11.390  -3.251   4.009
   46   HD12  ILE   5          HD12      ILE   5  11.084  -3.455   2.264
   47   HD13  ILE   5          HD13      ILE   5  12.007  -2.062   2.843
   48    HA   PRO   6           HA       PRO   6   7.491   1.202   6.813
   49    HB2  PRO   6           HB2      PRO   6   5.027   1.805   7.827
   50    HB3  PRO   6           HB3      PRO   6   5.564   2.328   6.202
   51    HG2  PRO   6           HG2      PRO   6   3.829  -0.053   6.912
   52    HG3  PRO   6           HG3      PRO   6   3.573   1.166   5.627
   53    HD2  PRO   6           HD2      PRO   6   4.730  -1.288   5.159
   54    HD3  PRO   6           HD3      PRO   6   5.164   0.175   4.241
   55    H    GLU   7           H        GLU   7   5.406  -1.564   7.581
   56    HA   GLU   7           HA       GLU   7   6.861  -2.174  10.023
   57    HB2  GLU   7           HB2      GLU   7   4.801  -2.037  11.465
   58    HB3  GLU   7           HB3      GLU   7   5.495  -0.496  11.008
   59    HG2  GLU   7           HG2      GLU   7   3.748   0.054   9.535
   60    HG3  GLU   7           HG3      GLU   7   3.227  -1.613   9.338
   61    HA   PRO   8           HA       PRO   8   4.811  -5.873   7.892
   62    HB2  PRO   8           HB2      PRO   8   7.650  -6.841   8.082
   63    HB3  PRO   8           HB3      PRO   8   6.445  -7.116   6.792
   64    HG2  PRO   8           HG2      PRO   8   8.497  -5.347   6.458
   65    HG3  PRO   8           HG3      PRO   8   6.855  -4.982   5.840
   66    HD2  PRO   8           HD2      PRO   8   8.155  -3.999   8.393
   67    HD3  PRO   8           HD3      PRO   8   7.207  -3.101   7.170
   68    H    LYS   9           H        LYS   9   3.898  -7.143   9.435
   69    HA   LYS   9           HA       LYS   9   5.333  -7.671  12.011
   70    HB2  LYS   9           HB2      LYS   9   2.373  -7.550  11.312
   71    HB3  LYS   9           HB3      LYS   9   2.984  -8.052  12.878
   72    HG2  LYS   9           HG2      LYS   9   3.758  -5.921  13.468
   73    HG3  LYS   9           HG3      LYS   9   3.768  -5.321  11.819
   74    HD2  LYS   9           HD2      LYS   9   1.262  -5.998  13.408
   75    HD3  LYS   9           HD3      LYS   9   1.911  -4.374  13.182
   76    HE2  LYS   9           HE2      LYS   9   0.927  -6.201  10.936
   77    HE3  LYS   9           HE3      LYS   9   0.004  -4.882  11.660
   78    HZ1  LYS   9           HZ1      LYS   9   1.108  -4.266   9.590
   79    HZ2  LYS   9           HZ2      LYS   9   1.634  -3.324  10.841
   80    HZ3  LYS   9           HZ3      LYS   9   2.580  -4.526  10.233
   81    HA   PRO  10           HA       PRO  10   5.172 -12.075  11.007
   82    HB2  PRO  10           HB2      PRO  10   3.908 -12.326  13.743
   83    HB3  PRO  10           HB3      PRO  10   5.203 -13.323  13.003
   84    HG2  PRO  10           HG2      PRO  10   5.836 -11.411  14.808
   85    HG3  PRO  10           HG3      PRO  10   6.820 -11.592  13.318
   86    HD2  PRO  10           HD2      PRO  10   4.638  -9.576  13.897
   87    HD3  PRO  10           HD3      PRO  10   6.232  -9.333  13.116
   88    H    GLY  11           H        GLY  11   3.628 -13.233   9.872
   89    HA2  GLY  11           HA2      GLY  11   1.612 -14.017   9.223
   90    HA3  GLY  11           HA3      GLY  11   0.803 -13.137  10.530
   91    H    ASP  12           H        ASP  12   2.825 -10.923   8.712
   92    HA   ASP  12           HA       ASP  12   0.401  -9.896   7.377
   93    HB2  ASP  12           HB2      ASP  12   3.258  -8.892   7.519
   94    HB3  ASP  12           HB3      ASP  12   2.073  -8.251   6.389
   95    H    LEU  13           H        LEU  13   0.143  -9.613   5.163
   96    HA   LEU  13           HA       LEU  13   1.208 -11.763   3.453
   97    HB2  LEU  13           HB2      LEU  13  -0.513  -9.306   2.898
   98    HB3  LEU  13           HB3      LEU  13   0.068 -10.400   1.656
   99    HG   LEU  13           HG       LEU  13  -2.122 -10.881   3.665
  100   HD11  LEU  13          HD11      LEU  13  -3.370 -11.489   1.726
  101   HD12  LEU  13          HD12      LEU  13  -2.612  -9.920   1.437
  102   HD13  LEU  13          HD13      LEU  13  -1.931 -11.370   0.681
  103   HD21  LEU  13          HD21      LEU  13  -0.750 -12.902   3.879
  104   HD22  LEU  13          HD22      LEU  13  -2.111 -13.278   2.808
  105   HD23  LEU  13          HD23      LEU  13  -0.498 -12.948   2.129
  106    H    ILE  14           H        ILE  14   2.886 -11.568   2.039
  107    HA   ILE  14           HA       ILE  14   4.116  -8.889   1.603
  108    HB   ILE  14           HB       ILE  14   5.426 -11.635   1.745
  109   HG12  ILE  14          HG12      ILE  14   4.888 -10.820   3.983
  110   HG13  ILE  14          HG13      ILE  14   6.617 -10.917   3.706
  111   HG21  ILE  14          HG21      ILE  14   7.586 -10.399   1.495
  112   HG22  ILE  14          HG22      ILE  14   6.565 -10.328   0.061
  113   HG23  ILE  14          HG23      ILE  14   6.664  -8.921   1.126
  114   HD11  ILE  14          HD11      ILE  14   5.992  -8.888   4.976
  115   HD12  ILE  14          HD12      ILE  14   6.761  -8.467   3.441
  116   HD13  ILE  14          HD13      ILE  14   4.998  -8.332   3.623
  117    H    GLU  15           H        GLU  15   4.399  -8.370  -0.501
  118    HA   GLU  15           HA       GLU  15   3.880 -10.440  -2.572
  119    HB2  GLU  15           HB2      GLU  15   3.154  -8.728  -4.102
  120    HB3  GLU  15           HB3      GLU  15   2.120  -8.714  -2.670
  121    HG2  GLU  15           HG2      GLU  15   3.351  -6.770  -1.778
  122    HG3  GLU  15           HG3      GLU  15   4.456  -6.837  -3.164
  123    H    ILE  16           H        ILE  16   5.316 -10.266  -4.312
  124    HA   ILE  16           HA       ILE  16   8.002  -9.109  -3.740
  125    HB   ILE  16           HB       ILE  16   7.226 -11.826  -4.837
  126   HG12  ILE  16          HG12      ILE  16   6.778 -11.854  -2.444
  127   HG13  ILE  16          HG13      ILE  16   8.060 -12.947  -2.928
  128   HG21  ILE  16          HG21      ILE  16   9.684 -12.346  -4.653
  129   HG22  ILE  16          HG22      ILE  16   9.245 -11.131  -5.856
  130   HG23  ILE  16          HG23      ILE  16   9.962 -10.616  -4.319
  131   HD11  ILE  16          HD11      ILE  16   9.762 -11.313  -2.099
  132   HD12  ILE  16          HD12      ILE  16   8.423 -10.269  -1.561
  133   HD13  ILE  16          HD13      ILE  16   8.643 -11.872  -0.841
  134    H    PHE  17           H        PHE  17   7.947  -7.449  -5.272
  135    HA   PHE  17           HA       PHE  17   6.277  -7.553  -7.605
  136    HB2  PHE  17           HB2      PHE  17   7.757  -5.578  -6.199
  137    HB3  PHE  17           HB3      PHE  17   8.489  -5.630  -7.789
  138    HD1  PHE  17           HD1      PHE  17   7.151  -5.057  -9.821
  139    HD2  PHE  17           HD2      PHE  17   5.439  -4.917  -5.862
  140    HE1  PHE  17           HE1      PHE  17   5.237  -3.737 -10.693
  141    HE2  PHE  17           HE2      PHE  17   3.524  -3.595  -6.740
  142    HZ   PHE  17           HZ       PHE  17   3.424  -2.999  -9.156
  143    H    ARG  18           H        ARG  18   6.725  -8.290  -9.717
  144    HA   ARG  18           HA       ARG  18   9.534  -9.098 -10.336
  145    HB2  ARG  18           HB2      ARG  18   6.851 -10.239 -11.229
  146    HB3  ARG  18           HB3      ARG  18   8.398 -10.804 -11.813
  147    HG2  ARG  18           HG2      ARG  18   7.439 -11.055  -8.926
  148    HG3  ARG  18           HG3      ARG  18   7.363 -12.300 -10.159
  149    HD2  ARG  18           HD2      ARG  18   9.262 -12.841  -8.965
  150    HD3  ARG  18           HD3      ARG  18   9.887 -12.032 -10.431
  151    HE   ARG  18           HE       ARG  18   9.708  -9.959  -8.698
  152   HH11  ARG  18          HH11      ARG  18  11.184 -13.137  -8.046
  153   HH12  ARG  18          HH12      ARG  18  12.183 -12.487  -6.782
  154   HH21  ARG  18          HH21      ARG  18  11.163  -9.133  -7.266
  155   HH22  ARG  18          HH22      ARG  18  12.237 -10.201  -6.399
  156    HA   PRO  19           HA       PRO  19   9.821  -6.376 -13.567
  157    HB2  PRO  19           HB2      PRO  19   9.958  -8.573 -15.637
  158    HB3  PRO  19           HB3      PRO  19  11.034  -7.158 -15.425
  159    HG2  PRO  19           HG2      PRO  19  11.811  -9.582 -14.514
  160    HG3  PRO  19           HG3      PRO  19  12.047  -8.132 -13.482
  161    HD2  PRO  19           HD2      PRO  19   9.845 -10.200 -13.350
  162    HD3  PRO  19           HD3      PRO  19  10.798  -9.504 -12.015
  163    H    PHE  20           H        PHE  20   7.319  -8.785 -14.252
  164    HA   PHE  20           HA       PHE  20   5.647  -6.671 -15.509
  165    HB2  PHE  20           HB2      PHE  20   4.979  -8.211 -17.274
  166    HB3  PHE  20           HB3      PHE  20   6.708  -7.955 -17.306
  167    HD1  PHE  20           HD2      PHE  20   4.017 -10.415 -16.644
  168    HD2  PHE  20           HD1      PHE  20   8.284  -9.780 -16.764
  169    HE1  PHE  20           HE2      PHE  20   4.388 -12.864 -16.541
  170    HE2  PHE  20           HE1      PHE  20   8.648 -12.232 -16.655
  171    HZ   PHE  20           HZ       PHE  20   6.702 -13.778 -16.541
  172    H    TYR  21           H        TYR  21   5.779  -8.583 -12.856
  173    HA   TYR  21           HA       TYR  21   2.950  -8.863 -12.548
  174    HB2  TYR  21           HB2      TYR  21   2.648 -11.172 -12.513
  175    HB3  TYR  21           HB3      TYR  21   3.419 -10.834 -14.034
  176    HD1  TYR  21           HD2      TYR  21   6.267 -10.941 -13.671
  177    HD2  TYR  21           HD1      TYR  21   3.235 -13.222 -11.620
  178    HE1  TYR  21           HE2      TYR  21   7.875 -12.786 -13.361
  179    HE2  TYR  21           HE1      TYR  21   4.860 -15.032 -11.219
  180    HH   TYR  21           HH       TYR  21   8.242 -14.901 -12.443
  181    H    ARG  22           H        ARG  22   3.526 -11.140 -10.511
  182    HA   ARG  22           HA       ARG  22   5.323  -9.983  -8.659
  183    HB2  ARG  22           HB2      ARG  22   3.995  -9.113  -6.997
  184    HB3  ARG  22           HB3      ARG  22   3.204  -8.490  -8.425
  185    HG2  ARG  22           HG2      ARG  22   2.283 -10.629  -6.504
  186    HG3  ARG  22           HG3      ARG  22   1.530  -9.095  -6.893
  187    HD2  ARG  22           HD2      ARG  22   1.424 -10.353  -9.351
  188    HD3  ARG  22           HD3      ARG  22   1.366 -11.734  -8.245
  189    HE   ARG  22           HE       ARG  22  -0.820 -11.142  -7.673
  190   HH11  ARG  22          HH21      ARG  22   0.598  -8.371  -9.415
  191   HH12  ARG  22          HH22      ARG  22  -0.886  -7.495  -9.431
  192   HH21  ARG  22          HH11      ARG  22  -2.619  -9.991  -7.556
  193   HH22  ARG  22          HH12      ARG  22  -2.826  -8.463  -8.393
  194    H    HIS  23           H        HIS  23   5.352 -11.309  -6.672
  195    HA   HIS  23           HA       HIS  23   3.997 -13.937  -6.900
  196    HB2  HIS  23           HB2      HIS  23   6.322 -14.269  -7.584
  197    HB3  HIS  23           HB3      HIS  23   6.927 -13.354  -6.222
  198    HD2  HIS  23           HD2      HIS  23   8.104 -15.033  -4.614
  199    HE1  HIS  23           HE1      HIS  23   5.198 -18.143  -4.580
  200    HE2  HIS  23           HE2      HIS  23   7.400 -17.358  -3.591
  201    H    TRP  24           H        TRP  24   4.066 -14.944  -4.515
  202    HA   TRP  24           HA       TRP  24   3.577 -12.756  -2.552
  203    HB2  TRP  24           HB2      TRP  24   1.611 -14.878  -3.461
  204    HB3  TRP  24           HB3      TRP  24   1.473 -14.034  -1.937
  205    HD1  TRP  24           HD1      TRP  24   1.058 -13.462  -5.668
  206    HE1  TRP  24           HE1      TRP  24  -0.378 -11.352  -5.983
  207    HE3  TRP  24           HE3      TRP  24   1.026 -11.760  -0.889
  208    HZ2  TRP  24           HZ2      TRP  24  -1.147  -9.034  -4.446
  209    HZ3  TRP  24           HZ3      TRP  24  -0.068  -9.564  -0.319
  210    HH2  TRP  24           HH2      TRP  24  -1.147  -8.223  -2.084
  211    H    ALA  25           H        ALA  25   3.695 -13.306  -0.435
  212    HA   ALA  25           HA       ALA  25   4.353 -16.018   0.449
  213    HB1  ALA  25           HB1      ALA  25   6.294 -13.679   0.825
  214    HB2  ALA  25           HB2      ALA  25   6.509 -15.375   1.309
  215    HB3  ALA  25           HB3      ALA  25   6.513 -14.955  -0.396
  216    H    ILE  26           H        ILE  26   4.674 -15.847   2.975
  217    HA   ILE  26           HA       ILE  26   3.178 -13.530   4.107
  218    HB   ILE  26           HB       ILE  26   1.987 -15.854   3.798
  219   HG12  ILE  26          HG12      ILE  26   1.830 -14.542   6.548
  220   HG13  ILE  26          HG13      ILE  26   1.198 -13.790   5.070
  221   HG21  ILE  26          HG21      ILE  26   3.379 -16.492   6.405
  222   HG22  ILE  26          HG22      ILE  26   2.212 -17.480   5.514
  223   HG23  ILE  26          HG23      ILE  26   3.795 -17.168   4.814
  224   HD11  ILE  26          HD11      ILE  26   0.319 -16.470   6.195
  225   HD12  ILE  26          HD12      ILE  26  -0.622 -14.967   6.118
  226   HD13  ILE  26          HD13      ILE  26  -0.170 -15.810   4.617
  227    H    TYR  27           H        TYR  27   4.150 -12.607   5.882
  228    HA   TYR  27           HA       TYR  27   6.934 -13.249   6.318
  229    HB2  TYR  27           HB2      TYR  27   5.820 -10.966   6.192
  230    HB3  TYR  27           HB3      TYR  27   5.108 -11.289   7.757
  231    HD1  TYR  27           HD1      TYR  27   8.442 -11.215   5.990
  232    HD2  TYR  27           HD2      TYR  27   6.286 -10.603   9.650
  233    HE1  TYR  27           HE1      TYR  27  10.439 -10.122   6.961
  234    HE2  TYR  27           HE2      TYR  27   8.279  -9.499  10.661
  235    HH   TYR  27           HH       TYR  27  11.317  -8.988   8.809
  236    H    VAL  28           H        VAL  28   7.854 -14.309   7.998
  237    HA   VAL  28           HA       VAL  28   6.375 -14.833  10.486
  238    HB   VAL  28           HB       VAL  28   6.872 -17.236  10.473
  239   HG11  VAL  28          HG11      VAL  28   4.625 -16.439   9.702
  240   HG12  VAL  28          HG12      VAL  28   5.193 -16.580   8.028
  241   HG13  VAL  28          HG13      VAL  28   5.097 -18.019   9.062
  242   HG21  VAL  28          HG21      VAL  28   8.744 -17.295   8.845
  243   HG22  VAL  28          HG22      VAL  28   7.477 -18.465   8.460
  244   HG23  VAL  28          HG23      VAL  28   7.598 -16.960   7.533
  245    H    GLY  29           H        GLY  29   7.922 -15.790  12.158
  246    HA2  GLY  29           HA2      GLY  29   9.888 -15.797  13.295
  247    HA3  GLY  29           HA3      GLY  29  10.590 -16.306  11.754
  248    H    ASP  30           H        ASP  30   9.158 -13.108  12.122
  249    HA   ASP  30           HA       ASP  30   9.963 -11.054  11.723
  250    HB2  ASP  30           HB2      ASP  30  10.417 -11.403  14.126
  251    HB3  ASP  30           HB3      ASP  30  12.066 -11.892  13.740
  252    H    GLY  31           H        GLY  31  10.788 -12.852   9.687
  253    HA2  GLY  31           HA2      GLY  31  12.342 -11.271   8.121
  254    HA3  GLY  31           HA3      GLY  31  13.570 -12.201   8.987
  255    H    TYR  32           H        TYR  32  11.259 -14.455   8.877
  256    HA   TYR  32           HA       TYR  32  12.212 -15.595   6.303
  257    HB2  TYR  32           HB2      TYR  32  11.011 -16.778   8.823
  258    HB3  TYR  32           HB3      TYR  32  11.020 -17.659   7.302
  259    HD1  TYR  32           HD1      TYR  32  13.279 -16.028   9.817
  260    HD2  TYR  32           HD2      TYR  32  12.951 -18.788   6.514
  261    HE1  TYR  32           HE1      TYR  32  15.619 -16.745  10.185
  262    HE2  TYR  32           HE2      TYR  32  15.288 -19.508   6.871
  263    HH   TYR  32           HH       TYR  32  17.222 -19.237   8.145
  264    H    VAL  33           H        VAL  33  10.443 -16.851   5.150
  265    HA   VAL  33           HA       VAL  33   7.760 -15.795   5.618
  266    HB   VAL  33           HB       VAL  33   7.418 -15.640   3.134
  267   HG11  VAL  33          HG11      VAL  33   7.465 -13.579   4.308
  268   HG12  VAL  33          HG12      VAL  33   9.242 -13.568   4.353
  269   HG13  VAL  33          HG13      VAL  33   8.371 -13.373   2.815
  270   HG21  VAL  33          HG21      VAL  33  10.456 -15.522   2.981
  271   HG22  VAL  33          HG22      VAL  33   9.433 -16.836   2.377
  272   HG23  VAL  33          HG23      VAL  33   9.320 -15.227   1.649
  273    H    VAL  34           H        VAL  34   6.098 -17.128   4.554
  274    HA   VAL  34           HA       VAL  34   7.003 -19.860   3.785
  275    HB   VAL  34           HB       VAL  34   4.265 -19.223   4.938
  276   HG11  VAL  34          HG11      VAL  34   5.685 -21.866   4.543
  277   HG12  VAL  34          HG12      VAL  34   4.061 -21.621   5.229
  278   HG13  VAL  34          HG13      VAL  34   4.363 -21.215   3.541
  279   HG21  VAL  34          HG21      VAL  34   6.739 -20.191   6.400
  280   HG22  VAL  34          HG22      VAL  34   5.717 -18.774   6.756
  281   HG23  VAL  34          HG23      VAL  34   5.094 -20.404   7.026
  282    H    HIS  35           H        HIS  35   6.286 -20.478   1.715
  283    HA   HIS  35           HA       HIS  35   4.341 -18.864   0.266
  284    HB2  HIS  35           HB2      HIS  35   5.769 -17.850  -1.297
  285    HB3  HIS  35           HB3      HIS  35   6.454 -17.458   0.266
  286    HD2  HIS  35           HD2      HIS  35   8.315 -20.085   0.710
  287    HE1  HIS  35           HE1      HIS  35  10.127 -18.941  -2.964
  288    HE2  HIS  35           HE2      HIS  35  10.420 -20.326  -0.870
  289    H    LEU  36           H        LEU  36   4.333 -19.586  -2.141
  290    HA   LEU  36           HA       LEU  36   4.686 -22.525  -2.289
  291    HB2  LEU  36           HB2      LEU  36   3.328 -20.437  -4.030
  292    HB3  LEU  36           HB3      LEU  36   3.853 -21.952  -4.732
  293    HG   LEU  36           HG       LEU  36   1.517 -22.034  -4.209
  294   HD11  LEU  36          HD11      LEU  36   1.413 -24.141  -3.019
  295   HD12  LEU  36          HD12      LEU  36   2.838 -24.147  -4.070
  296   HD13  LEU  36          HD13      LEU  36   3.016 -23.897  -2.323
  297   HD21  LEU  36          HD21      LEU  36   2.260 -21.757  -1.274
  298   HD22  LEU  36          HD22      LEU  36   1.475 -20.511  -2.274
  299   HD23  LEU  36          HD23      LEU  36   0.658 -22.056  -1.966
  300    H    ALA  37           H        ALA  37   6.262 -23.461  -3.498
  301    HA   ALA  37           HA       ALA  37   8.137 -21.812  -5.097
  302    HB1  ALA  37           HB1      ALA  37   8.801 -23.727  -2.817
  303    HB2  ALA  37           HB2      ALA  37  10.006 -22.965  -3.873
  304    HB3  ALA  37           HB3      ALA  37   9.028 -21.965  -2.786
  305    HA   PRO  38           HA       PRO  38   8.019 -25.489  -7.673
  306    HB2  PRO  38           HB2      PRO  38  10.654 -25.800  -8.489
  307    HB3  PRO  38           HB3      PRO  38   9.511 -24.600  -9.169
  308    HG2  PRO  38           HG2      PRO  38  11.605 -24.202  -7.016
  309    HG3  PRO  38           HG3      PRO  38  11.262 -23.162  -8.439
  310    HD2  PRO  38           HD2      PRO  38  10.289 -22.555  -5.992
  311    HD3  PRO  38           HD3      PRO  38   9.284 -22.312  -7.446
  312    HA   PRO  39           HA       PRO  39   8.983 -28.833  -5.023
  313    HB2  PRO  39           HB2      PRO  39   9.308 -31.001  -6.694
  314    HB3  PRO  39           HB3      PRO  39   7.740 -30.197  -6.395
  315    HG2  PRO  39           HG2      PRO  39   9.645 -29.751  -8.711
  316    HG3  PRO  39           HG3      PRO  39   7.872 -30.010  -8.768
  317    HD2  PRO  39           HD2      PRO  39   8.955 -27.523  -8.875
  318    HD3  PRO  39           HD3      PRO  39   7.436 -27.826  -7.981
  319    H    SER  40           H        SER  40  11.398 -28.045  -7.460
  320    HA   SER  40           HA       SER  40  13.623 -28.349  -7.626
  321    HB2  SER  40           HB2      SER  40  13.580 -28.431  -4.594
  322    HB3  SER  40           HB3      SER  40  14.898 -27.878  -5.639
  323    HG   SER  40           HG       SER  40  13.653 -26.133  -6.260
  324    H    GLU  41           H        GLU  41  12.111 -30.766  -7.852
  325    HA   GLU  41           HA       GLU  41  14.132 -32.792  -7.077
  326    HB2  GLU  41           HB2      GLU  41  12.098 -32.522  -5.453
  327    HB3  GLU  41           HB3      GLU  41  11.138 -33.246  -6.742
  328    HG2  GLU  41           HG2      GLU  41  12.717 -35.245  -6.657
  329    HG3  GLU  41           HG3      GLU  41  13.569 -34.440  -5.339
  330    H    VAL  42           H        VAL  42  13.710 -31.420  -9.542
  331    HA   VAL  42           HA       VAL  42  11.864 -32.663 -11.285
  332    HB   VAL  42           HB       VAL  42  13.293 -31.564 -13.096
  333   HG11  VAL  42          HG11      VAL  42  11.270 -30.547 -12.071
  334   HG12  VAL  42          HG12      VAL  42  12.271 -29.808 -10.806
  335   HG13  VAL  42          HG13      VAL  42  12.471 -29.330 -12.507
  336   HG21  VAL  42          HG21      VAL  42  14.925 -29.891 -12.458
  337   HG22  VAL  42          HG22      VAL  42  14.774 -30.298 -10.743
  338   HG23  VAL  42          HG23      VAL  42  15.465 -31.474 -11.886
  339    H    ALA  43           H        ALA  43  15.111 -33.689 -10.457
  340    HA   ALA  43           HA       ALA  43  14.938 -35.804 -12.553
  341    HB1  ALA  43           HB1      ALA  43  17.246 -35.282 -13.177
  342    HB2  ALA  43           HB2      ALA  43  16.217 -33.835 -13.324
  343    HB3  ALA  43           HB3      ALA  43  17.318 -34.005 -11.938
  344    H    GLY  44           H        GLY  44  15.081 -35.357  -9.288
  345    HA2  GLY  44           HA2      GLY  44  15.426 -37.900  -8.488
  346    HA3  GLY  44           HA3      GLY  44  17.101 -37.323  -8.544
  347    H    ALA  45           H        ALA  45  16.223 -38.028  -6.113
  348    HA   ALA  45           HA       ALA  45  14.822 -36.123  -4.576
  349    HB1  ALA  45           HB1      ALA  45  15.212 -38.456  -3.879
  350    HB2  ALA  45           HB2      ALA  45  16.952 -38.117  -3.696
  351    HB3  ALA  45           HB3      ALA  45  15.770 -37.314  -2.643
  352    H    GLY  46           H        GLY  46  18.177 -36.142  -5.612
  353    HA2  GLY  46           HA2      GLY  46  18.583 -33.415  -4.636
  354    HA3  GLY  46           HA3      GLY  46  19.619 -34.649  -3.887
  355    H    ALA  47           H        ALA  47  18.366 -34.557  -7.237
  356    HA   ALA  47           HA       ALA  47  20.945 -35.187  -8.394
  357    HB1  ALA  47           HB1      ALA  47  18.839 -35.964  -9.401
  358    HB2  ALA  47           HB2      ALA  47  18.314 -34.279  -9.652
  359    HB3  ALA  47           HB3      ALA  47  19.711 -34.928 -10.538
  360    H    ALA  48           H        ALA  48  21.940 -33.831 -10.095
  361    HA   ALA  48           HA       ALA  48  22.713 -31.291  -9.218
  362    HB1  ALA  48           HB1      ALA  48  23.718 -31.046 -11.463
  363    HB2  ALA  48           HB2      ALA  48  24.018 -32.661 -10.793
  364    HB3  ALA  48           HB3      ALA  48  22.774 -32.431 -12.048
  365    H    SER  49           H        SER  49  19.900 -32.175 -11.142
  366    HA   SER  49           HA       SER  49  18.197 -30.989 -12.044
  367    HB2  SER  49           HB2      SER  49  18.711 -29.219  -9.629
  368    HB3  SER  49           HB3      SER  49  17.181 -29.421 -10.503
  369    HG   SER  49           HG       SER  49  18.613 -31.323  -8.955
  370    H    VAL  50           H        VAL  50  20.297 -30.511 -13.572
  371    HA   VAL  50           HA       VAL  50  20.951 -27.749 -13.955
  372    HB   VAL  50           HB       VAL  50  21.040 -30.048 -15.956
  373   HG11  VAL  50          HG11      VAL  50  22.590 -27.417 -15.873
  374   HG12  VAL  50          HG12      VAL  50  22.854 -28.741 -17.030
  375   HG13  VAL  50          HG13      VAL  50  21.329 -27.853 -17.048
  376   HG21  VAL  50          HG21      VAL  50  23.154 -29.097 -13.966
  377   HG22  VAL  50          HG22      VAL  50  22.344 -30.680 -13.974
  378   HG23  VAL  50          HG23      VAL  50  23.442 -30.256 -15.282
  379    H    MET  51           H        MET  51  18.361 -29.863 -15.151
  380    HA   MET  51           HA       MET  51  17.101 -27.959 -16.910
  381    HB2  MET  51           HB2      MET  51  16.625 -30.386 -16.983
  382    HB3  MET  51           HB3      MET  51  15.977 -30.328 -15.342
  383    HG2  MET  51           HG2      MET  51  14.209 -30.374 -17.065
  384    HG3  MET  51           HG3      MET  51  14.121 -28.963 -16.028
  385    HE1  MET  51           HE1      MET  51  15.444 -28.909 -20.484
  386    HE2  MET  51           HE2      MET  51  16.490 -29.592 -19.224
  387    HE3  MET  51           HE3      MET  51  14.927 -30.357 -19.595
  388    H    SER  52           H        SER  52  15.524 -26.401 -16.420
  389    HA   SER  52           HA       SER  52  15.626 -25.009 -14.040
  390    HB2  SER  52           HB2      SER  52  13.244 -25.149 -15.932
  391    HB3  SER  52           HB3      SER  52  13.741 -23.779 -14.920
  392    HG   SER  52           HG       SER  52  14.407 -23.537 -17.103
  393    H    ALA  53           H        ALA  53  14.526 -25.041 -12.100
  394    HA   ALA  53           HA       ALA  53  13.316 -27.485 -11.270
  395    HB1  ALA  53           HB1      ALA  53  13.347 -24.763  -9.893
  396    HB2  ALA  53           HB2      ALA  53  12.999 -26.327  -9.127
  397    HB3  ALA  53           HB3      ALA  53  14.618 -26.007  -9.771
  398    H    LEU  54           H        LEU  54  11.917 -24.690 -12.788
  399    HA   LEU  54           HA       LEU  54   9.319 -24.666 -11.732
  400    HB2  LEU  54           HB2      LEU  54  10.319 -22.886 -13.134
  401    HB3  LEU  54           HB3      LEU  54  10.362 -23.985 -14.515
  402    HG   LEU  54           HG       LEU  54   7.888 -24.061 -14.559
  403   HD11  LEU  54          HD11      LEU  54   8.058 -22.057 -12.259
  404   HD12  LEU  54          HD12      LEU  54   6.589 -22.413 -13.191
  405   HD13  LEU  54          HD13      LEU  54   7.318 -23.672 -12.200
  406   HD21  LEU  54          HD21      LEU  54   7.540 -21.754 -15.343
  407   HD22  LEU  54          HD22      LEU  54   9.029 -21.236 -14.524
  408   HD23  LEU  54          HD23      LEU  54   9.105 -22.379 -15.883
  409    H    THR  55           H        THR  55   7.470 -25.656 -12.341
  410    HA   THR  55           HA       THR  55   7.396 -27.945 -14.197
  411    HB   THR  55           HB       THR  55   6.296 -29.174 -12.147
  412    HG1  THR  55           HG1      THR  55   6.401 -27.425 -10.624
  413   HG21  THR  55          HG21      THR  55   8.393 -30.151 -11.448
  414   HG22  THR  55          HG22      THR  55   8.419 -29.893 -13.200
  415   HG23  THR  55          HG23      THR  55   9.309 -28.793 -12.124
  416    H    ASP  56           H        ASP  56   4.875 -28.837 -13.763
  417    HA   ASP  56           HA       ASP  56   3.196 -26.429 -13.813
  418    HB2  ASP  56           HB2      ASP  56   1.571 -27.565 -14.993
  419    HB3  ASP  56           HB3      ASP  56   3.061 -28.196 -15.693
  420    H    LYS  57           H        LYS  57   4.385 -27.944 -11.527
  421    HA   LYS  57           HA       LYS  57   2.049 -27.842  -9.729
  422    HB2  LYS  57           HB2      LYS  57   2.790 -29.768  -8.551
  423    HB3  LYS  57           HB3      LYS  57   2.731 -30.192 -10.266
  424    HG2  LYS  57           HG2      LYS  57   5.131 -30.090 -10.455
  425    HG3  LYS  57           HG3      LYS  57   5.318 -29.459  -8.816
  426    HD2  LYS  57           HD2      LYS  57   4.110 -32.184  -9.429
  427    HD3  LYS  57           HD3      LYS  57   5.832 -31.904  -9.131
  428    HE2  LYS  57           HE2      LYS  57   5.292 -30.937  -6.896
  429    HE3  LYS  57           HE3      LYS  57   3.580 -31.292  -7.153
  430    HZ1  LYS  57           HZ1      LYS  57   5.714 -33.354  -7.150
  431    HZ2  LYS  57           HZ2      LYS  57   4.808 -33.013  -5.847
  432    HZ3  LYS  57           HZ3      LYS  57   4.103 -33.630  -7.196
  433    H    ALA  58           H        ALA  58   2.798 -27.564  -7.455
  434    HA   ALA  58           HA       ALA  58   5.432 -26.315  -6.994
  435    HB1  ALA  58           HB1      ALA  58   3.848 -24.456  -7.648
  436    HB2  ALA  58           HB2      ALA  58   2.757 -24.961  -6.355
  437    HB3  ALA  58           HB3      ALA  58   4.376 -24.345  -5.955
  438    H    ILE  59           H        ILE  59   5.562 -25.788  -4.562
  439    HA   ILE  59           HA       ILE  59   3.925 -27.533  -2.868
  440    HB   ILE  59           HB       ILE  59   5.732 -28.675  -1.902
  441   HG12  ILE  59          HG12      ILE  59   7.761 -27.266  -3.671
  442   HG13  ILE  59          HG13      ILE  59   7.445 -26.845  -1.985
  443   HG21  ILE  59          HG21      ILE  59   6.525 -30.157  -3.644
  444   HG22  ILE  59          HG22      ILE  59   4.901 -29.651  -4.057
  445   HG23  ILE  59          HG23      ILE  59   6.290 -28.913  -4.880
  446   HD11  ILE  59          HD11      ILE  59   7.985 -29.166  -1.290
  447   HD12  ILE  59          HD12      ILE  59   8.495 -29.521  -2.952
  448   HD13  ILE  59          HD13      ILE  59   9.356 -28.290  -2.013
  449    H    VAL  60           H        VAL  60   4.283 -26.902  -0.501
  450    HA   VAL  60           HA       VAL  60   4.728 -23.975  -0.397
  451    HB   VAL  60           HB       VAL  60   3.770 -25.845   1.803
  452   HG11  VAL  60          HG11      VAL  60   4.612 -23.571   2.500
  453   HG12  VAL  60          HG12      VAL  60   3.425 -22.829   1.414
  454   HG13  VAL  60          HG13      VAL  60   2.888 -23.793   2.810
  455   HG21  VAL  60          HG21      VAL  60   2.049 -24.232  -0.137
  456   HG22  VAL  60          HG22      VAL  60   2.146 -26.008  -0.059
  457   HG23  VAL  60          HG23      VAL  60   1.473 -25.106   1.295
  458    H    LYS  61           H        LYS  61   6.542 -23.107   0.539
  459    HA   LYS  61           HA       LYS  61   8.384 -24.856   2.114
  460    HB2  LYS  61           HB2      LYS  61   9.078 -22.935  -0.158
  461    HB3  LYS  61           HB3      LYS  61  10.253 -23.427   1.064
  462    HG2  LYS  61           HG2      LYS  61   9.883 -25.803   0.491
  463    HG3  LYS  61           HG3      LYS  61   8.815 -25.288  -0.842
  464    HD2  LYS  61           HD2      LYS  61  10.844 -23.810  -1.588
  465    HD3  LYS  61           HD3      LYS  61  11.805 -24.817  -0.502
  466    HE2  LYS  61           HE2      LYS  61  11.141 -26.842  -1.774
  467    HE3  LYS  61           HE3      LYS  61  10.087 -25.864  -2.806
  468    HZ1  LYS  61           HZ1      LYS  61  12.102 -24.650  -3.528
  469    HZ2  LYS  61           HZ2      LYS  61  13.039 -25.694  -2.687
  470    HZ3  LYS  61           HZ3      LYS  61  12.140 -26.211  -3.952
  471    H    LYS  62           H        LYS  62   9.874 -23.550   3.402
  472    HA   LYS  62           HA       LYS  62   8.919 -20.824   4.065
  473    HB2  LYS  62           HB2      LYS  62   8.113 -22.176   5.913
  474    HB3  LYS  62           HB3      LYS  62   9.668 -23.016   6.042
  475    HG2  LYS  62           HG2      LYS  62  10.746 -20.855   6.722
  476    HG3  LYS  62           HG3      LYS  62   9.157 -20.073   6.674
  477    HD2  LYS  62           HD2      LYS  62   8.340 -21.580   8.447
  478    HD3  LYS  62           HD3      LYS  62   9.876 -22.475   8.414
  479    HE2  LYS  62           HE2      LYS  62  11.073 -20.341   9.023
  480    HE3  LYS  62           HE3      LYS  62   9.500 -19.551   9.201
  481    HZ1  LYS  62           HZ1      LYS  62   8.972 -21.144  10.972
  482    HZ2  LYS  62           HZ2      LYS  62  10.430 -21.875  10.789
  483    HZ3  LYS  62           HZ3      LYS  62  10.352 -20.339  11.322
  484    H    GLU  63           H        GLU  63  10.614 -19.386   3.940
  485    HA   GLU  63           HA       GLU  63  13.407 -20.300   3.863
  486    HB2  GLU  63           HB2      GLU  63  11.904 -19.255   1.418
  487    HB3  GLU  63           HB3      GLU  63  13.668 -19.279   1.551
  488    HG2  GLU  63           HG2      GLU  63  13.573 -21.765   1.874
  489    HG3  GLU  63           HG3      GLU  63  11.829 -21.703   1.588
  490    H    LEU  64           H        LEU  64  14.840 -18.329   3.562
  491    HA   LEU  64           HA       LEU  64  13.938 -16.215   5.285
  492    HB2  LEU  64           HB2      LEU  64  16.307 -17.075   5.069
  493    HB3  LEU  64           HB3      LEU  64  16.368 -16.388   3.444
  494    HG   LEU  64           HG       LEU  64  15.978 -14.099   4.477
  495   HD11  LEU  64          HD11      LEU  64  14.988 -14.833   6.653
  496   HD12  LEU  64          HD12      LEU  64  16.528 -15.587   7.089
  497   HD13  LEU  64          HD13      LEU  64  16.416 -13.826   6.889
  498   HD21  LEU  64          HD21      LEU  64  18.211 -14.850   3.813
  499   HD22  LEU  64          HD22      LEU  64  18.318 -13.908   5.307
  500   HD23  LEU  64          HD23      LEU  64  18.428 -15.677   5.370
  501    H    LEU  65           H        LEU  65  13.121 -14.127   4.723
  502    HA   LEU  65           HA       LEU  65  11.811 -13.845   2.256
  503    HB2  LEU  65           HB2      LEU  65  11.259 -12.593   4.302
  504    HB3  LEU  65           HB3      LEU  65  12.721 -11.630   4.154
  505    HG   LEU  65           HG       LEU  65  10.784 -11.716   1.819
  506   HD11  LEU  65          HD11      LEU  65   9.530  -9.793   2.809
  507   HD12  LEU  65          HD12      LEU  65   9.326 -11.269   3.750
  508   HD13  LEU  65          HD13      LEU  65  10.427 -10.002   4.327
  509   HD21  LEU  65          HD21      LEU  65  11.471  -9.337   1.555
  510   HD22  LEU  65          HD22      LEU  65  12.510  -9.463   2.988
  511   HD23  LEU  65          HD23      LEU  65  12.879 -10.372   1.515
  512    H    TYR  66           H        TYR  66  15.000 -12.554   3.247
  513    HA   TYR  66           HA       TYR  66  15.410 -11.028   0.922
  514    HB2  TYR  66           HB2      TYR  66  17.534 -12.265   2.704
  515    HB3  TYR  66           HB3      TYR  66  17.701 -10.833   1.693
  516    HD1  TYR  66           HD1      TYR  66  15.748  -8.961   2.174
  517    HD2  TYR  66           HD2      TYR  66  17.199 -11.875   5.009
  518    HE1  TYR  66           HE1      TYR  66  14.889  -7.578   4.036
  519    HE2  TYR  66           HE2      TYR  66  16.343 -10.504   6.873
  520    HH   TYR  66           HH       TYR  66  15.234  -8.544   7.483
  521    H    ASP  67           H        ASP  67  15.607 -14.498   1.271
  522    HA   ASP  67           HA       ASP  67  17.231 -14.801  -1.198
  523    HB2  ASP  67           HB2      ASP  67  17.568 -16.438   0.602
  524    HB3  ASP  67           HB3      ASP  67  15.853 -16.863   0.563
  525    H    VAL  68           H        VAL  68  13.877 -15.294   0.040
  526    HA   VAL  68           HA       VAL  68  12.722 -16.170  -2.392
  527    HB   VAL  68           HB       VAL  68  11.522 -14.733   0.027
  528   HG11  VAL  68          HG11      VAL  68   9.936 -14.425  -1.790
  529   HG12  VAL  68          HG12      VAL  68  10.099 -16.124  -2.285
  530   HG13  VAL  68          HG13      VAL  68   9.336 -15.707  -0.738
  531   HG21  VAL  68          HG21      VAL  68  11.725 -17.665  -0.842
  532   HG22  VAL  68          HG22      VAL  68  12.504 -16.923   0.565
  533   HG23  VAL  68          HG23      VAL  68  10.752 -17.107   0.521
  534    H    ALA  69           H        ALA  69  13.499 -12.897  -1.275
  535    HA   ALA  69           HA       ALA  69  12.080 -11.384  -3.130
  536    HB1  ALA  69           HB1      ALA  69  14.895 -10.870  -2.077
  537    HB2  ALA  69           HB2      ALA  69  13.783  -9.663  -2.755
  538    HB3  ALA  69           HB3      ALA  69  13.379 -10.467  -1.232
  539    H    GLY  70           H        GLY  70  14.944 -13.413  -3.760
  540    HA2  GLY  70           HA2      GLY  70  16.126 -13.856  -5.668
  541    HA3  GLY  70           HA3      GLY  70  14.554 -13.719  -6.453
  542    H    SER  71           H        SER  71  14.381 -12.194  -8.033
  543    HA   SER  71           HA       SER  71  16.377 -10.443  -8.863
  544    HB2  SER  71           HB2      SER  71  13.409 -10.148  -9.419
  545    HB3  SER  71           HB3      SER  71  14.769  -9.775 -10.491
  546    HG   SER  71           HG       SER  71  13.796 -11.750 -11.062
  547    H    ASP  72           H        ASP  72  14.705 -10.006  -6.069
  548    HA   ASP  72           HA       ASP  72  14.276  -8.454  -4.611
  549    HB2  ASP  72           HB2      ASP  72  16.594  -7.803  -5.178
  550    HB3  ASP  72           HB3      ASP  72  15.948  -6.550  -6.252
  551    H    LYS  73           H        LYS  73  13.269  -6.571  -4.029
  552    HA   LYS  73           HA       LYS  73  11.797  -4.868  -4.079
  553    HB2  LYS  73           HB2      LYS  73  11.010  -5.707  -6.889
  554    HB3  LYS  73           HB3      LYS  73  10.119  -4.532  -5.930
  555    HG2  LYS  73           HG2      LYS  73  12.042  -3.136  -5.613
  556    HG3  LYS  73           HG3      LYS  73  13.099  -4.256  -6.489
  557    HD2  LYS  73           HD2      LYS  73  10.720  -2.785  -7.719
  558    HD3  LYS  73           HD3      LYS  73  12.413  -2.276  -7.843
  559    HE2  LYS  73           HE2      LYS  73  12.974  -4.453  -8.938
  560    HE3  LYS  73           HE3      LYS  73  11.269  -4.909  -8.886
  561    HZ1  LYS  73           HZ1      LYS  73  12.368  -2.580 -10.357
  562    HZ2  LYS  73           HZ2      LYS  73  11.874  -3.976 -11.030
  563    HZ3  LYS  73           HZ3      LYS  73  10.787  -2.994 -10.311
  564    H    TYR  74           H        TYR  74  10.082  -4.953  -2.897
  565    HA   TYR  74           HA       TYR  74   7.999  -6.916  -3.066
  566    HB2  TYR  74           HB2      TYR  74   8.470  -8.016  -0.879
  567    HB3  TYR  74           HB3      TYR  74   9.605  -8.434  -2.137
  568    HD1  TYR  74           HD2      TYR  74   9.148  -6.653   1.075
  569    HD2  TYR  74           HD1      TYR  74  11.972  -7.786  -1.986
  570    HE1  TYR  74           HE2      TYR  74  11.026  -6.038   2.577
  571    HE2  TYR  74           HE1      TYR  74  13.846  -7.146  -0.512
  572    HH   TYR  74           HH       TYR  74  14.464  -6.274   1.561
  573    H    GLN  75           H        GLN  75   6.459  -6.626  -1.228
  574    HA   GLN  75           HA       GLN  75   6.616  -4.079   0.239
  575    HB2  GLN  75           HB2      GLN  75   4.425  -4.671  -1.810
  576    HB3  GLN  75           HB3      GLN  75   4.413  -3.364  -0.645
  577    HG2  GLN  75           HG2      GLN  75   6.532  -2.481  -1.729
  578    HG3  GLN  75           HG3      GLN  75   6.313  -3.699  -2.996
  579   HE21  GLN  75          HE22      GLN  75   3.760  -3.645  -3.888
  580   HE22  GLN  75          HE21      GLN  75   3.303  -2.025  -4.323
  581    H    VAL  76           H        VAL  76   4.861  -3.995   1.865
  582    HA   VAL  76           HA       VAL  76   3.750  -6.679   2.525
  583    HB   VAL  76           HB       VAL  76   4.994  -5.466   4.298
  584   HG11  VAL  76          HG11      VAL  76   4.078  -3.572   5.467
  585   HG12  VAL  76          HG12      VAL  76   4.290  -3.121   3.766
  586   HG13  VAL  76          HG13      VAL  76   2.675  -3.501   4.385
  587   HG21  VAL  76          HG21      VAL  76   3.361  -7.148   4.888
  588   HG22  VAL  76          HG22      VAL  76   3.326  -5.842   6.076
  589   HG23  VAL  76          HG23      VAL  76   2.043  -5.961   4.855
  590    H    ASN  77           H        ASN  77   1.531  -7.014   2.270
  591    HA   ASN  77           HA       ASN  77  -0.205  -4.747   1.549
  592    HB2  ASN  77           HB2      ASN  77   1.013  -5.231  -0.569
  593    HB3  ASN  77           HB3      ASN  77   0.409  -6.887  -0.526
  594   HD21  ASN  77          HD22      ASN  77  -0.269  -5.742  -2.754
  595   HD22  ASN  77          HD21      ASN  77  -1.895  -5.053  -2.748
  596    H    ASN  78           H        ASN  78  -1.095  -5.616   3.553
  597    HA   ASN  78           HA       ASN  78  -2.461  -8.189   3.606
  598    HB2  ASN  78           HB2      ASN  78  -2.754  -5.666   5.286
  599    HB3  ASN  78           HB3      ASN  78  -3.691  -7.126   5.532
  600   HD21  ASN  78          HD22      ASN  78  -1.519  -5.708   7.206
  601   HD22  ASN  78          HD21      ASN  78  -0.515  -7.066   7.689
  602    H    LYS  79           H        LYS  79  -3.573  -8.234   1.606
  603    HA   LYS  79           HA       LYS  79  -5.078  -6.047   0.612
  604    HB2  LYS  79           HB2      LYS  79  -5.243  -9.026  -0.018
  605    HB3  LYS  79           HB3      LYS  79  -6.249  -7.810  -0.816
  606    HG2  LYS  79           HG2      LYS  79  -4.159  -6.564  -1.476
  607    HG3  LYS  79           HG3      LYS  79  -3.202  -7.884  -0.804
  608    HD2  LYS  79           HD2      LYS  79  -3.358  -8.044  -3.224
  609    HD3  LYS  79           HD3      LYS  79  -4.136  -9.443  -2.472
  610    HE2  LYS  79           HE2      LYS  79  -6.331  -8.607  -2.952
  611    HE3  LYS  79           HE3      LYS  79  -5.724  -6.985  -3.318
  612    HZ1  LYS  79           HZ1      LYS  79  -6.302  -8.310  -5.301
  613    HZ2  LYS  79           HZ2      LYS  79  -4.755  -7.803  -5.322
  614    HZ3  LYS  79           HZ3      LYS  79  -5.090  -9.368  -4.979
  615    H    HIS  80           H        HIS  80  -6.935  -5.170   1.231
  616    HA   HIS  80           HA       HIS  80  -8.823  -4.734   2.363
  617    HB2  HIS  80           HB2      HIS  80  -9.621  -7.390   1.147
  618    HB3  HIS  80           HB3      HIS  80 -10.709  -6.170   1.813
  619    HD2  HIS  80           HD2      HIS  80  -8.631  -6.947  -1.289
  620    HE1  HIS  80           HE1      HIS  80 -10.445  -3.166  -2.034
  621    HE2  HIS  80           HE2      HIS  80  -9.109  -5.070  -3.066
  622    H    ASP  81           H        ASP  81  -6.880  -5.640   4.077
  623    HA   ASP  81           HA       ASP  81  -7.632  -7.438   6.034
  624    HB2  ASP  81           HB2      ASP  81  -5.561  -5.990   5.903
  625    HB3  ASP  81           HB3      ASP  81  -6.515  -4.643   6.510
  626    H    ASP  82           H        ASP  82  -9.439  -4.677   5.150
  627    HA   ASP  82           HA       ASP  82 -10.706  -4.226   7.794
  628    HB2  ASP  82           HB2      ASP  82 -10.196  -2.275   6.399
  629    HB3  ASP  82           HB3      ASP  82 -11.130  -2.952   5.063
  630    H    LYS  83           H        LYS  83 -11.259  -5.849   4.714
  631    HA   LYS  83           HA       LYS  83 -14.128  -6.333   5.310
  632    HB2  LYS  83           HB2      LYS  83 -12.496  -7.262   2.907
  633    HB3  LYS  83           HB3      LYS  83 -14.251  -7.246   3.084
  634    HG2  LYS  83           HG2      LYS  83 -14.147  -4.720   3.216
  635    HG3  LYS  83           HG3      LYS  83 -12.411  -4.829   2.834
  636    HD2  LYS  83           HD2      LYS  83 -12.970  -6.039   0.723
  637    HD3  LYS  83           HD3      LYS  83 -14.701  -5.853   1.093
  638    HE2  LYS  83           HE2      LYS  83 -14.425  -3.392   1.132
  639    HE3  LYS  83           HE3      LYS  83 -12.700  -3.577   0.782
  640    HZ1  LYS  83           HZ1      LYS  83 -13.965  -3.081  -1.215
  641    HZ2  LYS  83           HZ2      LYS  83 -13.297  -4.562  -1.347
  642    HZ3  LYS  83           HZ3      LYS  83 -14.896  -4.404  -1.029
  643    H    TYR  84           H        TYR  84 -10.984  -7.944   5.160
  644    HA   TYR  84           HA       TYR  84 -12.114 -10.610   5.173
  645    HB2  TYR  84           HB2      TYR  84  -9.369  -9.392   5.068
  646    HB3  TYR  84           HB3      TYR  84  -9.519 -11.040   5.604
  647    HD1  TYR  84           HD2      TYR  84 -10.872 -12.743   4.188
  648    HD2  TYR  84           HD1      TYR  84  -9.269  -9.031   2.710
  649    HE1  TYR  84           HE2      TYR  84 -10.893 -13.658   1.901
  650    HE2  TYR  84           HE1      TYR  84  -9.300  -9.924   0.399
  651    HH   TYR  84           HH       TYR  84 -10.441 -13.267  -0.336
  652    H    SER  85           H        SER  85 -11.011 -12.233   6.640
  653    HA   SER  85           HA       SER  85 -12.273 -12.276   9.039
  654    HB2  SER  85           HB2      SER  85  -9.777 -13.862   8.358
  655    HB3  SER  85           HB3      SER  85 -11.199 -14.418   9.252
  656    HG   SER  85           HG       SER  85 -10.964 -15.059   6.959
  657    HA   PRO  86           HA       PRO  86  -9.693 -10.274  11.928
  658    HB2  PRO  86           HB2      PRO  86 -10.636 -11.202  14.281
  659    HB3  PRO  86           HB3      PRO  86 -11.759 -10.493  13.071
  660    HG2  PRO  86           HG2      PRO  86 -11.138 -13.426  13.579
  661    HG3  PRO  86           HG3      PRO  86 -12.748 -12.647  13.458
  662    HD2  PRO  86           HD2      PRO  86 -11.453 -13.881  11.345
  663    HD3  PRO  86           HD3      PRO  86 -12.619 -12.531  11.141
  664    H    LEU  87           H        LEU  87  -8.888 -13.377  11.429
  665    HA   LEU  87           HA       LEU  87  -7.796 -14.695  13.421
  666    HB2  LEU  87           HB2      LEU  87  -6.542 -14.250  10.715
  667    HB3  LEU  87           HB3      LEU  87  -5.949 -15.464  11.860
  668    HG   LEU  87           HG       LEU  87  -8.668 -15.393  10.509
  669   HD11  LEU  87          HD11      LEU  87  -6.737 -16.162   9.118
  670   HD12  LEU  87          HD12      LEU  87  -6.352 -17.389  10.325
  671   HD13  LEU  87          HD13      LEU  87  -7.884 -17.472   9.429
  672   HD21  LEU  87          HD21      LEU  87  -9.025 -17.651  11.570
  673   HD22  LEU  87          HD22      LEU  87  -7.602 -17.356  12.593
  674   HD23  LEU  87          HD23      LEU  87  -9.049 -16.327  12.727
  675    HA   PRO  88           HA       PRO  88  -4.688 -12.035  15.378
  676    HB2  PRO  88           HB2      PRO  88  -4.081 -14.667  16.721
  677    HB3  PRO  88           HB3      PRO  88  -4.226 -13.042  17.452
  678    HG2  PRO  88           HG2      PRO  88  -6.247 -14.846  17.672
  679    HG3  PRO  88           HG3      PRO  88  -6.604 -13.119  17.338
  680    HD2  PRO  88           HD2      PRO  88  -6.525 -15.429  15.389
  681    HD3  PRO  88           HD3      PRO  88  -7.697 -14.080  15.513
  682    H    CYS  89           H        CYS  89  -2.419 -11.843  15.182
  683    HA   CYS  89           HA       CYS  89  -1.132 -12.893  12.964
  684    HB2  CYS  89           HB2      CYS  89   0.120 -11.926  15.577
  685    HB3  CYS  89           HB3      CYS  89   0.949 -12.069  14.021
  686    HG   CYS  89           HG       CYS  89  -0.406 -10.372  12.705
  687    H    SER  90           H        SER  90  -1.028 -14.152  16.339
  688    HA   SER  90           HA       SER  90   0.947 -16.116  16.031
  689    HB2  SER  90           HB2      SER  90  -0.373 -17.151  18.000
  690    HB3  SER  90           HB3      SER  90   0.275 -15.512  18.200
  691    HG   SER  90           HG       SER  90  -1.896 -15.630  18.877
  692    H    LYS  91           H        LYS  91  -2.588 -16.436  15.725
  693    HA   LYS  91           HA       LYS  91  -2.624 -19.166  14.983
  694    HB2  LYS  91           HB2      LYS  91  -4.643 -17.041  14.174
  695    HB3  LYS  91           HB3      LYS  91  -4.891 -18.788  14.216
  696    HG2  LYS  91           HG2      LYS  91  -4.432 -16.982  16.626
  697    HG3  LYS  91           HG3      LYS  91  -5.960 -17.699  16.118
  698    HD2  LYS  91           HD2      LYS  91  -5.002 -19.978  16.505
  699    HD3  LYS  91           HD3      LYS  91  -3.506 -19.221  17.107
  700    HE2  LYS  91           HE2      LYS  91  -4.798 -18.049  18.866
  701    HE3  LYS  91           HE3      LYS  91  -6.291 -18.788  18.274
  702    HZ1  LYS  91           HZ1      LYS  91  -5.370 -20.958  18.854
  703    HZ2  LYS  91           HZ2      LYS  91  -3.989 -20.274  19.407
  704    HZ3  LYS  91           HZ3      LYS  91  -5.404 -19.990  20.162
  705    H    ILE  92           H        ILE  92  -2.244 -16.220  12.953
  706    HA   ILE  92           HA       ILE  92  -2.361 -17.646  10.475
  707    HB   ILE  92           HB       ILE  92  -1.061 -15.004  11.228
  708   HG12  ILE  92          HG12      ILE  92  -3.610 -15.499   9.638
  709   HG13  ILE  92          HG13      ILE  92  -3.647 -15.369  11.385
  710   HG21  ILE  92          HG21      ILE  92   0.059 -15.856   9.232
  711   HG22  ILE  92          HG22      ILE  92  -1.505 -16.228   8.476
  712   HG23  ILE  92          HG23      ILE  92  -1.016 -14.544   8.782
  713   HD11  ILE  92          HD11      ILE  92  -2.586 -13.178   9.584
  714   HD12  ILE  92          HD12      ILE  92  -4.197 -13.234  10.340
  715   HD13  ILE  92          HD13      ILE  92  -2.739 -13.126  11.348
  716    H    ILE  93           H        ILE  93   0.471 -16.884  12.683
  717    HA   ILE  93           HA       ILE  93   2.392 -18.100  10.997
  718    HB   ILE  93           HB       ILE  93   2.519 -18.298  14.027
  719   HG12  ILE  93          HG12      ILE  93   2.032 -16.032  13.931
  720   HG13  ILE  93          HG13      ILE  93   3.748 -16.139  14.112
  721   HG21  ILE  93          HG21      ILE  93   4.214 -19.418  12.696
  722   HG22  ILE  93          HG22      ILE  93   4.605 -17.893  11.858
  723   HG23  ILE  93          HG23      ILE  93   4.928 -18.078  13.601
  724   HD11  ILE  93          HD11      ILE  93   4.136 -15.517  11.798
  725   HD12  ILE  93          HD12      ILE  93   2.394 -15.596  11.427
  726   HD13  ILE  93          HD13      ILE  93   3.003 -14.374  12.543
  727    H    GLN  94           H        GLN  94   0.425 -19.423  13.656
  728    HA   GLN  94           HA       GLN  94   1.278 -22.088  13.660
  729    HB2  GLN  94           HB2      GLN  94  -1.399 -20.760  14.256
  730    HB3  GLN  94           HB3      GLN  94  -1.204 -22.497  14.408
  731    HG2  GLN  94           HG2      GLN  94   0.388 -20.379  15.917
  732    HG3  GLN  94           HG3      GLN  94  -0.972 -21.306  16.547
  733   HE21  GLN  94          HE22      GLN  94  -0.487 -23.923  15.812
  734   HE22  GLN  94          HE21      GLN  94   1.036 -24.470  16.461
  735    H    ARG  95           H        ARG  95  -1.315 -20.590  11.684
  736    HA   ARG  95           HA       ARG  95  -2.065 -22.972  10.322
  737    HB2  ARG  95           HB2      ARG  95  -3.390 -20.927  10.484
  738    HB3  ARG  95           HB3      ARG  95  -2.287 -20.082   9.392
  739    HG2  ARG  95           HG2      ARG  95  -2.989 -21.314   7.525
  740    HG3  ARG  95           HG3      ARG  95  -3.555 -22.686   8.498
  741    HD2  ARG  95           HD2      ARG  95  -5.424 -21.425   9.336
  742    HD3  ARG  95           HD3      ARG  95  -4.840 -19.936   8.586
  743    HE   ARG  95           HE       ARG  95  -5.752 -20.531   6.577
  744   HH11  ARG  95          HH21      ARG  95  -5.624 -23.503   8.538
  745   HH12  ARG  95          HH22      ARG  95  -6.628 -24.402   7.465
  746   HH21  ARG  95          HH11      ARG  95  -7.275 -21.655   5.309
  747   HH22  ARG  95          HH12      ARG  95  -7.509 -23.349   5.539
  748    H    ALA  96           H        ALA  96   0.218 -20.344   9.347
  749    HA   ALA  96           HA       ALA  96   0.998 -21.443   6.891
  750    HB1  ALA  96           HB1      ALA  96   2.807 -19.873   8.785
  751    HB2  ALA  96           HB2      ALA  96   2.862 -19.928   7.010
  752    HB3  ALA  96           HB3      ALA  96   1.518 -19.118   7.829
  753    H    GLU  97           H        GLU  97   2.371 -22.024  10.134
  754    HA   GLU  97           HA       GLU  97   4.422 -23.778   9.057
  755    HB2  GLU  97           HB2      GLU  97   3.661 -23.058  11.910
  756    HB3  GLU  97           HB3      GLU  97   5.042 -24.073  11.448
  757    HG2  GLU  97           HG2      GLU  97   5.833 -22.168   9.962
  758    HG3  GLU  97           HG3      GLU  97   4.628 -21.140  10.728
  759    H    GLU  98           H        GLU  98   1.101 -24.359   9.903
  760    HA   GLU  98           HA       GLU  98   1.543 -27.205  10.398
  761    HB2  GLU  98           HB2      GLU  98  -0.855 -25.372  10.146
  762    HB3  GLU  98           HB3      GLU  98  -1.070 -27.110   9.998
  763    HG2  GLU  98           HG2      GLU  98   0.277 -25.819  12.405
  764    HG3  GLU  98           HG3      GLU  98  -1.449 -26.153  12.307
  765    H    LEU  99           H        LEU  99   1.118 -24.974   7.744
  766    HA   LEU  99           HA       LEU  99   0.405 -27.175   5.882
  767    HB2  LEU  99           HB2      LEU  99   0.101 -24.164   5.689
  768    HB3  LEU  99           HB3      LEU  99  -0.457 -25.323   4.482
  769    HG   LEU  99           HG       LEU  99  -1.429 -25.280   7.388
  770   HD11  LEU  99          HD11      LEU  99  -2.149 -23.276   6.304
  771   HD12  LEU  99          HD12      LEU  99  -2.725 -24.162   4.871
  772   HD13  LEU  99          HD13      LEU  99  -3.536 -24.354   6.447
  773   HD21  LEU  99          HD21      LEU  99  -3.263 -26.720   6.562
  774   HD22  LEU  99          HD22      LEU  99  -2.483 -26.794   4.966
  775   HD23  LEU  99          HD23      LEU  99  -1.695 -27.502   6.401
  776    H    VAL 100           H        VAL 100   3.171 -25.198   6.598
  777    HA   VAL 100           HA       VAL 100   4.422 -25.239   4.081
  778    HB   VAL 100           HB       VAL 100   5.224 -24.019   6.058
  779   HG11  VAL 100          HG11      VAL 100   4.892 -25.804   7.781
  780   HG12  VAL 100          HG12      VAL 100   6.288 -26.668   7.120
  781   HG13  VAL 100          HG13      VAL 100   6.496 -25.056   7.832
  782   HG21  VAL 100          HG21      VAL 100   7.321 -25.916   4.921
  783   HG22  VAL 100          HG22      VAL 100   6.729 -24.414   4.167
  784   HG23  VAL 100          HG23      VAL 100   7.615 -24.368   5.704
  785    H    GLY 101           H        GLY 101   5.826 -26.764   3.038
  786    HA2  GLY 101           HA2      GLY 101   6.806 -28.764   2.607
  787    HA3  GLY 101           HA3      GLY 101   6.271 -29.392   4.173
  788    H    GLN 102           H        GLN 102   3.491 -28.152   2.729
  789    HA   GLN 102           HA       GLN 102   2.548 -30.778   1.848
  790    HB2  GLN 102           HB2      GLN 102   1.347 -27.973   1.844
  791    HB3  GLN 102           HB3      GLN 102   0.561 -29.350   1.056
  792    HG2  GLN 102           HG2      GLN 102   0.611 -30.630   3.145
  793    HG3  GLN 102           HG3      GLN 102   1.322 -29.257   4.004
  794   HE21  GLN 102          HE22      GLN 102  -1.011 -30.317   4.991
  795   HE22  GLN 102          HE21      GLN 102  -2.352 -29.246   4.677
  796    H    GLU 103           H        GLU 103   1.834 -31.175  -0.299
  797    HA   GLU 103           HA       GLU 103   3.354 -29.698  -2.409
  798    HB2  GLU 103           HB2      GLU 103   2.323 -32.570  -2.428
  799    HB3  GLU 103           HB3      GLU 103   3.109 -31.727  -3.767
  800    HG2  GLU 103           HG2      GLU 103   5.153 -31.451  -2.268
  801    HG3  GLU 103           HG3      GLU 103   4.356 -32.495  -1.094
  802    H    VAL 104           H        VAL 104   2.159 -29.057  -4.263
  803    HA   VAL 104           HA       VAL 104  -0.726 -29.674  -4.314
  804    HB   VAL 104           HB       VAL 104  -1.082 -27.374  -5.088
  805   HG11  VAL 104          HG11      VAL 104   0.008 -27.488  -2.250
  806   HG12  VAL 104          HG12      VAL 104  -1.164 -26.323  -2.883
  807   HG13  VAL 104          HG13      VAL 104  -1.605 -28.032  -2.758
  808   HG21  VAL 104          HG21      VAL 104   1.198 -26.707  -5.723
  809   HG22  VAL 104          HG22      VAL 104   0.430 -25.555  -4.632
  810   HG23  VAL 104          HG23      VAL 104   1.649 -26.665  -3.996
  811    H    LEU 105           H        LEU 105  -1.478 -28.835  -6.650
  812    HA   LEU 105           HA       LEU 105   0.417 -30.048  -8.617
  813    HB2  LEU 105           HB2      LEU 105  -2.558 -30.468  -8.209
  814    HB3  LEU 105           HB3      LEU 105  -1.640 -31.156  -9.547
  815    HG   LEU 105           HG       LEU 105  -1.211 -31.853  -6.611
  816   HD11  LEU 105          HD11      LEU 105  -2.203 -34.018  -7.210
  817   HD12  LEU 105          HD12      LEU 105  -3.342 -32.696  -7.505
  818   HD13  LEU 105          HD13      LEU 105  -2.489 -33.448  -8.871
  819   HD21  LEU 105          HD21      LEU 105   0.216 -33.688  -7.503
  820   HD22  LEU 105          HD22      LEU 105   0.053 -33.012  -9.139
  821   HD23  LEU 105          HD23      LEU 105   0.889 -32.098  -7.863
  822    H    TYR 106           H        TYR 106  -0.388 -27.236  -7.968
  823    HA   TYR 106           HA       TYR 106  -1.145 -26.392 -10.719
  824    HB2  TYR 106           HB2      TYR 106  -2.215 -24.412  -9.708
  825    HB3  TYR 106           HB3      TYR 106  -3.020 -25.915  -9.337
  826    HD1  TYR 106           HD2      TYR 106  -0.452 -23.570  -7.827
  827    HD2  TYR 106           HD1      TYR 106  -3.730 -26.292  -7.136
  828    HE1  TYR 106           HE2      TYR 106  -0.471 -22.937  -5.437
  829    HE2  TYR 106           HE1      TYR 106  -3.771 -25.643  -4.752
  830    HH   TYR 106           HH       TYR 106  -2.848 -24.268  -3.101
  831    H    LYS 107           H        LYS 107  -0.258 -24.288 -11.319
  832    HA   LYS 107           HA       LYS 107   2.566 -24.333 -10.833
  833    HB2  LYS 107           HB2      LYS 107   0.596 -22.831 -12.587
  834    HB3  LYS 107           HB3      LYS 107   2.136 -22.032 -12.321
  835    HG2  LYS 107           HG2      LYS 107   3.350 -24.047 -13.035
  836    HG3  LYS 107           HG3      LYS 107   1.787 -24.815 -13.447
  837    HD2  LYS 107           HD2      LYS 107   1.296 -22.979 -15.026
  838    HD3  LYS 107           HD3      LYS 107   2.827 -22.190 -14.636
  839    HE2  LYS 107           HE2      LYS 107   2.546 -24.971 -15.864
  840    HE3  LYS 107           HE3      LYS 107   2.816 -23.485 -16.776
  841    HZ1  LYS 107           HZ1      LYS 107   4.926 -23.206 -15.640
  842    HZ2  LYS 107           HZ2      LYS 107   4.720 -24.588 -14.769
  843    HZ3  LYS 107           HZ3      LYS 107   4.885 -24.646 -16.396
  844    H    LEU 108           H        LEU 108   3.813 -22.349 -10.635
  845    HA   LEU 108           HA       LEU 108   3.190 -20.726  -8.281
  846    HB2  LEU 108           HB2      LEU 108   5.534 -20.646 -10.266
  847    HB3  LEU 108           HB3      LEU 108   5.397 -19.671  -8.819
  848    HG   LEU 108           HG       LEU 108   6.935 -21.279  -8.285
  849   HD11  LEU 108          HD11      LEU 108   5.898 -22.508  -6.438
  850   HD12  LEU 108          HD12      LEU 108   5.321 -20.835  -6.520
  851   HD13  LEU 108          HD13      LEU 108   4.291 -22.172  -7.081
  852   HD21  LEU 108          HD21      LEU 108   5.108 -23.521  -9.229
  853   HD22  LEU 108          HD22      LEU 108   6.553 -22.912 -10.056
  854   HD23  LEU 108          HD23      LEU 108   6.697 -23.684  -8.476
  855    H    THR 109           H        THR 109   1.084 -20.200 -10.058
  856    HA   THR 109           HA       THR 109   1.809 -17.891 -11.720
  857    HB   THR 109           HB       THR 109  -0.735 -17.728 -11.857
  858    HG1  THR 109           HG1      THR 109  -1.882 -19.485 -11.214
  859   HG21  THR 109          HG21      THR 109   0.570 -20.315 -12.838
  860   HG22  THR 109          HG22      THR 109  -0.909 -19.582 -13.483
  861   HG23  THR 109          HG23      THR 109   0.641 -18.746 -13.661
  862    H    SER 110           H        SER 110   1.085 -15.770 -11.180
  863    HA   SER 110           HA       SER 110   1.579 -14.756  -8.654
  864    HB2  SER 110           HB2      SER 110  -0.303 -13.041  -9.785
  865    HB3  SER 110           HB3      SER 110   1.433 -13.017 -10.084
  866    HG   SER 110           HG       SER 110  -0.508 -14.397 -11.661
  867    H    GLU 111           H        GLU 111  -1.528 -15.610 -10.137
  868    HA   GLU 111           HA       GLU 111  -3.160 -14.940  -7.930
  869    HB2  GLU 111           HB2      GLU 111  -4.857 -16.375  -9.211
  870    HB3  GLU 111           HB3      GLU 111  -4.261 -14.902  -9.954
  871    HG2  GLU 111           HG2      GLU 111  -2.904 -17.511 -10.639
  872    HG3  GLU 111           HG3      GLU 111  -4.496 -17.177 -11.300
  873    H    ASN 112           H        ASN 112  -1.617 -18.143  -8.757
  874    HA   ASN 112           HA       ASN 112  -3.245 -19.508  -6.763
  875    HB2  ASN 112           HB2      ASN 112  -0.757 -20.203  -8.331
  876    HB3  ASN 112           HB3      ASN 112  -1.135 -21.125  -6.894
  877   HD21  ASN 112          HD22      ASN 112  -1.510 -21.314 -10.109
  878   HD22  ASN 112          HD21      ASN 112  -3.011 -22.222 -10.200
  879    H    CYS 113           H        CYS 113  -0.062 -17.872  -6.711
  880    HA   CYS 113           HA       CYS 113   0.531 -18.672  -4.003
  881    HB2  CYS 113           HB2      CYS 113   1.522 -16.210  -5.515
  882    HB3  CYS 113           HB3      CYS 113   2.251 -16.951  -4.085
  883    HG   CYS 113           HG       CYS 113   1.855 -18.130  -7.164
  884    H    GLU 114           H        GLU 114  -0.979 -15.761  -5.469
  885    HA   GLU 114           HA       GLU 114  -1.396 -14.252  -3.152
  886    HB2  GLU 114           HB2      GLU 114  -1.624 -13.640  -5.594
  887    HB3  GLU 114           HB3      GLU 114  -3.205 -14.406  -5.607
  888    HG2  GLU 114           HG2      GLU 114  -4.067 -12.810  -4.017
  889    HG3  GLU 114           HG3      GLU 114  -2.461 -12.163  -3.690
  890    H    HIS 115           H        HIS 115  -3.488 -16.725  -4.689
  891    HA   HIS 115           HA       HIS 115  -5.676 -16.612  -2.903
  892    HB2  HIS 115           HB2      HIS 115  -5.856 -17.777  -5.008
  893    HB3  HIS 115           HB3      HIS 115  -4.511 -18.844  -4.616
  894    HD2  HIS 115           HD2      HIS 115  -4.921 -20.787  -2.755
  895    HE1  HIS 115           HE1      HIS 115  -9.155 -20.430  -2.537
  896    HE2  HIS 115           HE2      HIS 115  -7.132 -21.752  -1.724
  897    H    PHE 116           H        PHE 116  -2.746 -18.767  -2.861
  898    HA   PHE 116           HA       PHE 116  -3.571 -20.139  -0.553
  899    HB2  PHE 116           HB2      PHE 116  -1.869 -21.104  -1.941
  900    HB3  PHE 116           HB3      PHE 116  -0.866 -19.663  -1.844
  901    HD1  PHE 116           HD2      PHE 116  -1.957 -22.705   0.002
  902    HD2  PHE 116           HD1      PHE 116   0.564 -19.204   0.071
  903    HE1  PHE 116           HE2      PHE 116  -0.730 -23.612   1.963
  904    HE2  PHE 116           HE1      PHE 116   1.733 -20.070   2.066
  905    HZ   PHE 116           HZ       PHE 116   1.113 -22.307   2.994
  906    H    VAL 117           H        VAL 117  -1.356 -17.298  -0.771
  907    HA   VAL 117           HA       VAL 117  -0.872 -17.358   2.043
  908    HB   VAL 117           HB       VAL 117   0.009 -15.124   1.880
  909   HG11  VAL 117          HG11      VAL 117   0.876 -16.874  -0.451
  910   HG12  VAL 117          HG12      VAL 117   1.797 -15.562   0.282
  911   HG13  VAL 117          HG13      VAL 117   1.423 -17.000   1.242
  912   HG21  VAL 117          HG21      VAL 117   0.075 -13.828  -0.161
  913   HG22  VAL 117          HG22      VAL 117  -0.862 -15.051  -1.038
  914   HG23  VAL 117          HG23      VAL 117  -1.611 -14.105   0.257
  915    H    ASN 118           H        ASN 118  -3.564 -15.893   0.203
  916    HA   ASN 118           HA       ASN 118  -4.636 -14.526   2.534
  917    HB2  ASN 118           HB2      ASN 118  -5.777 -15.252  -0.182
  918    HB3  ASN 118           HB3      ASN 118  -6.808 -14.666   1.126
  919   HD21  ASN 118          HD22      ASN 118  -4.015 -13.741  -0.933
  920   HD22  ASN 118          HD21      ASN 118  -4.104 -12.033  -0.529
  921    H    GLU 119           H        GLU 119  -4.990 -17.803   1.181
  922    HA   GLU 119           HA       GLU 119  -6.985 -18.734   2.942
  923    HB2  GLU 119           HB2      GLU 119  -5.430 -19.797   0.871
  924    HB3  GLU 119           HB3      GLU 119  -4.810 -20.655   2.284
  925    HG2  GLU 119           HG2      GLU 119  -7.229 -21.224   2.833
  926    HG3  GLU 119           HG3      GLU 119  -7.663 -20.472   1.286
  927    H    LEU 120           H        LEU 120  -3.481 -18.269   3.497
  928    HA   LEU 120           HA       LEU 120  -3.612 -19.473   6.140
  929    HB2  LEU 120           HB2      LEU 120  -1.545 -17.565   5.010
  930    HB3  LEU 120           HB3      LEU 120  -1.381 -18.540   6.471
  931    HG   LEU 120           HG       LEU 120  -1.494 -19.531   3.594
  932   HD11  LEU 120          HD11      LEU 120   0.611 -18.494   4.060
  933   HD12  LEU 120          HD12      LEU 120   0.696 -19.220   5.679
  934   HD13  LEU 120          HD13      LEU 120   0.901 -20.233   4.257
  935   HD21  LEU 120          HD21      LEU 120  -1.150 -21.101   6.179
  936   HD22  LEU 120          HD22      LEU 120  -2.529 -21.205   5.051
  937   HD23  LEU 120          HD23      LEU 120  -0.936 -21.756   4.543
  938    H    ARG 121           H        ARG 121  -3.325 -16.116   4.886
  939    HA   ARG 121           HA       ARG 121  -3.224 -14.947   7.449
  940    HB2  ARG 121           HB2      ARG 121  -2.700 -14.143   4.897
  941    HB3  ARG 121           HB3      ARG 121  -4.199 -13.265   5.151
  942    HG2  ARG 121           HG2      ARG 121  -1.819 -13.219   7.047
  943    HG3  ARG 121           HG3      ARG 121  -1.969 -12.097   5.699
  944    HD2  ARG 121           HD2      ARG 121  -4.032 -11.201   6.595
  945    HD3  ARG 121           HD3      ARG 121  -3.960 -12.311   7.974
  946    HE   ARG 121           HE       ARG 121  -1.535 -10.977   8.027
  947   HH11  ARG 121          HH11      ARG 121  -4.930 -10.302   8.402
  948   HH12  ARG 121          HH12      ARG 121  -4.780  -8.660   8.896
  949   HH21  ARG 121          HH21      ARG 121  -1.193  -8.790   9.038
  950   HH22  ARG 121          HH22      ARG 121  -2.585  -8.002   9.682
  951    H    TYR 122           H        TYR 122  -5.980 -15.700   5.388
  952    HA   TYR 122           HA       TYR 122  -7.801 -14.617   7.487
  953    HB2  TYR 122           HB2      TYR 122  -8.049 -14.340   4.472
  954    HB3  TYR 122           HB3      TYR 122  -9.200 -13.752   5.658
  955    HD1  TYR 122           HD1      TYR 122  -7.949 -12.277   7.657
  956    HD2  TYR 122           HD2      TYR 122  -6.736 -12.626   3.532
  957    HE1  TYR 122           HE1      TYR 122  -6.940 -10.037   7.777
  958    HE2  TYR 122           HE2      TYR 122  -5.630 -10.418   3.670
  959    HH   TYR 122           HH       TYR 122  -5.666  -8.429   6.678
  960    H    GLY 123           H        GLY 123  -6.887 -17.514   6.249
  961    HA2  GLY 123           HA2      GLY 123  -7.916 -19.469   6.992
  962    HA3  GLY 123           HA3      GLY 123  -9.467 -18.632   7.129
  963    H    VAL 124           H        VAL 124  -9.709 -17.483   4.567
  964    HA   VAL 124           HA       VAL 124  -9.052 -19.433   2.533
  965    HB   VAL 124           HB       VAL 124 -11.147 -20.328   3.490
  966   HG11  VAL 124          HG11      VAL 124 -12.261 -18.230   4.181
  967   HG12  VAL 124          HG12      VAL 124 -12.523 -17.817   2.472
  968   HG13  VAL 124          HG13      VAL 124 -13.294 -19.253   3.174
  969   HG21  VAL 124          HG21      VAL 124 -10.544 -20.763   1.157
  970   HG22  VAL 124          HG22      VAL 124 -12.296 -20.710   1.397
  971   HG23  VAL 124          HG23      VAL 124 -11.470 -19.333   0.645
  972    H    ALA 125           H        ALA 125  -8.775 -18.359   0.530
  973    HA   ALA 125           HA       ALA 125  -8.748 -15.503   0.470
  974    HB1  ALA 125           HB1      ALA 125  -7.388 -16.953  -1.047
  975    HB2  ALA 125           HB2      ALA 125  -8.891 -17.450  -1.860
  976    HB3  ALA 125           HB3      ALA 125  -8.368 -15.760  -1.924