*HEADER    ELECTRON TRANSPORT                      14-MAY-00   1F04              
*TITLE     SOLUTION STRUCTURE OF OXIDIZED BOVINE MICROSOMAL CYTOCHROME           
*TITLE    2 B5 MUTANT (E44A, E48A, E56A, D60A) AND ITS INTERACTION WITH          
*TITLE    3 CYTOCHROME C                                                         
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CYTOCHROME B5;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: BOS TAURUS;                                     
*SOURCE   3 ORGANISM_COMMON: BOVINE;                                             
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   6 EXPRESSION_SYSTEM_STRAIN: JM83;                                      
*SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   8 EXPRESSION_SYSTEM_PLASMID: PUC 19                                    
*KEYWDS    CYTOCHROME B5, PROTEIN RECOGNITION, SOLUTION STRUCTURE,               
*KEYWDS   2 PARAMAGNETIC NMR                                                     
*EXPDTA    NMR, 35 STRUCTURES                                                    
*AUTHOR    Y.B.WU, J.LU, C.M.QIAN, W.X.TANG, E.C.LI, J.F.WANG,                   
*AUTHOR   2 Y.H.WANG, W.H.WANG, J.X.LU, Y.XIE, Z.X.HUANG                         
*REVDAT   1   21-JUN-00 1F04    0                                                



 63 HIS
         NE2   201 HEM  FE     2.10  
         HE1   201 HEM  QM3    5.50
 39 HIS
         NE2   201 HEM  FE     2.10 
         HD1    45 VAL  QG1    5.50
         HD1    46 LEU  QD2    5.50
 201 HEM
         FE    39  HEM  NE2    1.90
         FE    63  HEM  NE2    1.90
 4 VAL  
         HN    4   VAL   HA    4.30  
         HN    4   VAL   QG2   7.00  
         HA    4   VAL   HB    3.50  
         HA    4   VAL   QG1   3.90  
         HA    4   VAL   QG2   4.00  
         HA    5   LYS+  HN    2.50  
         HB    4   VAL   QG1   4.50  
         HB    4   VAL   QG2   4.40  
         HB    5   LYS+  HN    4.10  
         HB    6   TYR   CZ    6.60  
         QG1   5   LYS+  HN    4.70  
         QG1   6   TYR   CG    8.60  
         QG1   6   TYR   CZ    7.30  
         QG2   5   LYS+  HN    4.50  
         QG2   6   TYR   HN    7.00  
         QG2   6   TYR   HA    6.00  
         QG2   6   TYR   CG    7.60  
         QG2   6   TYR   CZ    6.70  
         QG2   77  GLY   HA1   6.00  
         QG2   78  GLU-  HN    5.20  
         QG2   78  GLU-  HA    7.00  
         QG2   78  GLU-  HB2   5.40  
  5 LYS+ 
         HN    5   LYS+  HA    3.10  
         HN    5   LYS+  QB    4.20  
         HN    5   LYS+  HG2   4.80  
         HN    5   LYS+  HG3   5.20  
         HN    77  GLY   HA2   4.30  
         HN    78  GLU-  HN    5.20  
         HA    5   LYS+  QB    4.20  
         HA    5   LYS+  HG2   4.40  
         HA    5   LYS+  HG3   3.60  
         HA    6   TYR   HN    2.50  
         HA    6   TYR   HA    5.00  
         HA    6   TYR   HB2   4.40  
         QB    5   LYS+  HG2   4.60  
         QB    5   LYS+  HG3   4.90  
         QB    5   LYS+  HD2   5.10  
         QB    5   LYS+  HD3   5.10  
         QB    6   TYR   HN    5.10  
         QB    7   TYR   CG    9.00  
         QB    7   TYR   CZ    7.50  
         HG2   5   LYS+  HD3   5.90  
         HG2   6   TYR   HN    4.60  
         HG2   7   TYR   CZ    6.80  
         HG3   5   LYS+  HD2   5.60  
         HG3   6   TYR   HN    4.20  
         HG3   7   TYR   CZ    6.70  
         HD2   7   TYR   CZ    7.80  
         HD3   7   TYR   CZ    8.00  
  6 TYR  
         HN    6   TYR   HA    3.70  
         HN    6   TYR   HB2   3.50  
         HN    6   TYR   HB3   3.60  
         HN    6   TYR   CG    6.30  
         HN    78  GLU-  HN    4.90  
         HA    6   TYR   HB2   3.10  
         HA    6   TYR   HB3   3.10  
         HA    6   TYR   CG    4.50  
         HA    6   TYR   CZ    6.20  
         HA    7   TYR   HN    2.70  
         HA    29  VAL   QG2   6.70  
         HA    77  GLY   HA1   6.00  
         HA    78  GLU-  HN    3.50  
         HA    78  GLU-  HB2   4.40  
         HA    78  GLU-  HB3   5.00  
         HA    80  HIS   HN    4.80  
         HA    80  HIS   HA    4.50  
         HA    80  HIS   HB2   5.20  
         HB2   6   TYR   CG    5.60  
         HB2   6   TYR   CZ    8.00  
         HB2   7   TYR   HN    3.70  
         HB2   7   TYR   HA    5.10  
         HB2   80  HIS   HN    4.80  
         HB2   80  HIS   HA    3.90  
         HB2   80  HIS   HD2   3.70  
         HB3   6   TYR   CG    5.90  
         HB3   6   TYR   CZ    8.00  
         HB3   7   TYR   HN    3.30  
         HB3   80  HIS   HN    3.50  
         HB3   80  HIS   HA    4.70  
         HB3   80  HIS   HD2   3.60  
         CG    6   TYR   CZ    7.40  
         CG    78  GLU-  HN    6.30  
         CG    78  GLU-  HB2   5.70  
         CG    78  GLU-  HB3   5.80  
         CG    80  HIS   HN    7.00  
         CG    80  HIS   HA    6.20  
         CG    80  HIS   HB2   6.90  
         CG    81  PRO   QG    7.00  
         CZ    78  GLU-  HB2   5.60  
         CZ    78  GLU-  HB3   6.00  
         CZ    78  GLU-  QG    8.30  
         CZ    81  PRO   QG    7.30  
  7 TYR  
         HN    7   TYR   HA    3.50  
         HN    7   TYR   HB2   3.80  
         HN    7   TYR   HB3   3.30  
         HN    7   TYR   CG    6.10  
         HN    8   THR   HN    4.40  
         HN    8   THR   QG2   6.90  
         HN    29  VAL   QG1   6.20  
         HN    29  VAL   QG2   5.30  
         HN    78  GLU-  HN    4.10  
         HN    78  GLU-  HB2   6.00  
         HN    79  LEU   HA    4.00  
         HN    80  HIS   HN    4.00  
         HN    80  HIS   HB2   4.30  
         HN    80  HIS   HB3   5.30  
         HA    7   TYR   HB2   2.90  
         HA    7   TYR   HB3   3.30  
         HA    7   TYR   CG    4.70  
         HA    7   TYR   CZ    6.40  
         HA    8   THR   HN    2.60  
         HA    8   THR   QG2   4.60  
         HA    11  GLU-  HB3   3.90  
         HA    29  VAL   QG2   6.20  
         HB2   7   TYR   CG    5.70  
         HB2   7   TYR   CZ    8.00  
         HB2   8   THR   HN    4.30  
         HB2   12  ILE   HN    4.60  
         HB2   12  ILE   QG2   4.80  
         HB2   22  TRP   HZ3   4.20  
         HB2   29  VAL   QG1   7.00  
         HB2   29  VAL   QG2   5.00  
         HB3   7   TYR   CG    5.50  
         HB3   7   TYR   CZ    7.40  
         HB3   8   THR   HN    3.80  
         HB3   12  ILE   HN    3.60  
         HB3   12  ILE   QG2   6.40  
         HB3   22  TRP   HZ3   4.40  
         HB3   22  TRP   HH2   5.90  
         HB3   29  VAL   QG1   7.00  
         HB3   29  VAL   QG2   5.10  
         CG    7   TYR   CZ    7.40  
         CG    8   THR   HN    6.50  
         CG    11  GLU-  HB3   6.10  
         CG    11  GLU-  QG    7.60  
         CG    12  ILE   QG2   6.90  
         CG    22  TRP   HZ3   5.90  
         CG    22  TRP   HH2   6.60  
         CG    29  VAL   HB    6.50  
         CG    29  VAL   QG1   7.10  
         CG    29  VAL   QG2   6.50  
         CG    76  ILE   HG12  7.40  
         CG    76  ILE   HG13  8.00  
         CG    76  ILE   QD1   7.80  
         CG    77  GLY   HA1   7.20  
         CG    77  GLY   HA2   6.80  
         CG    78  GLU-  HN    6.80  
         CZ    8   THR   HN    8.00  
         CZ    11  GLU-  HB3   8.00  
         CZ    11  GLU-  QG    9.00  
         CZ    22  TRP   HZ3   7.10  
         CZ    22  TRP   HH2   5.90  
         CZ    29  VAL   QG1   7.60  
         CZ    29  VAL   QG2   8.10  
         CZ    76  ILE   HN    8.00  
         CZ    76  ILE   HB    6.70  
         CZ    76  ILE   QG2   7.70  
         CZ    76  ILE   HG12  6.70  
         CZ    76  ILE   HG13  6.50  
         CZ    76  ILE   QD1   6.60  
         CZ    77  GLY   HN    8.00  
         CZ    77  GLY   HA1   6.00  
         CZ    77  GLY   HA2   6.90  
         CZ    78  GLU-  HN    6.90  
  8 THR  
         HN    8   THR   HA    3.70  
         HN    8   THR   QG2   3.70  
         HN    9   LEU   HN    4.90  
         HN    11  GLU-  HN    4.70  
         HN    11  GLU-  HB3   3.50  
         HN    11  GLU-  QG    6.10  
         HN    79  LEU   QD1   7.00  
         HN    80  HIS   HB2   5.10  
         HN    80  HIS   HB3   5.40  
         HA    8   THR   QG2   3.80  
         HA    9   LEU   HN    2.90  
         HA    9   LEU   HA    5.00  
         HA    79  LEU   QD1   5.50  
         HA    80  HIS   HN    4.20  
         HA    80  HIS   HB2   3.90  
         HA    80  HIS   HB3   4.00  
         HB    8   THR   QG2   3.90  
         HB    9   LEU   HN    4.40  
         QG2   9   LEU   HN    5.00  
         QG2   10  GLU-  HN    5.60  
         QG2   11  GLU-  HN    6.70  
         QG2   80  HIS   HN    5.50  
         QG2   80  HIS   HB2   5.50  
         QG2   80  HIS   HB3   5.60  
         QG2   80  HIS   HD2   4.60  
  9 LEU  
         HN    9   LEU   HA    3.30  
         HN    9   LEU   HB2   3.00  
         HN    9   LEU   HB3   3.10  
         HN    9   LEU   HG    5.10  
         HN    9   LEU   QD1   5.10  
         HN    9   LEU   QD2   5.50  
         HN    10  GLU-  HN    3.20  
         HN    10  GLU-  HB2   5.00  
         HN    10  GLU-  HB3   5.50  
         HN    11  GLU-  HN    5.60  
         HN    79  LEU   QD1   4.40  
         HN    80  HIS   HN    5.10  
         HN    80  HIS   HB2   5.00  
         HN    80  HIS   HB3   5.80  
         HN    83  ASP-  HB2   4.50  
         HN    83  ASP-  HB3   4.60  
         HA    9   LEU   HB2   3.40  
         HA    9   LEU   HB3   2.70  
         HA    9   LEU   HG    3.60  
         HA    9   LEU   QD1   4.20  
         HA    9   LEU   QD2   5.50  
         HA    10  GLU-  HN    4.20  
         HA    12  ILE   HN    3.70  
         HA    12  ILE   HB    3.20  
         HA    12  ILE   QG2   5.60  
         HA    13  GLN   HN    4.20  
         HA    79  LEU   QD1   4.70  
         HB2   9   LEU   QD1   4.40  
         HB2   9   LEU   QD2   4.00  
         HB2   10  GLU-  HN    3.20  
         HB2   79  LEU   QD1   4.40  
         HB2   83  ASP-  HB2   4.90  
         HB3   9   LEU   QD1   4.40  
         HB3   9   LEU   QD2   3.70  
         HB3   10  GLU-  HN    3.30  
         HB3   79  LEU   QD1   5.80  
         HB3   83  ASP-  HB2   3.90  
         HG    9   LEU   QD1   3.60  
         HG    9   LEU   QD2   3.50  
         HG    10  GLU-  HN    5.40  
         HG    13  GLN   QG    5.70  
         HG    79  LEU   QD1   4.10  
         QD2   10  GLU-  HN    4.90  
 10 GLU- 
         HN    10  GLU-  HA    2.90  
         HN    10  GLU-  HB2   3.00  
         HN    10  GLU-  HB3   3.10  
         HN    10  GLU-  HG2   4.90  
         HN    10  GLU-  HG3   4.70  
         HN    11  GLU-  HN    3.30  
         HN    12  ILE   HN    4.30  
         HA    10  GLU-  HB2   2.80  
         HA    10  GLU-  HB3   3.00  
         HA    10  GLU-  HG2   4.40  
         HA    10  GLU-  HG3   3.30  
         HA    11  GLU-  HN    3.60  
         HA    13  GLN   HN    3.70  
         HA    13  GLN   QG    5.30  
         HB2   10  GLU-  HG2   3.00  
         HB2   10  GLU-  HG3   4.00  
         HB2   11  GLU-  HN    3.50  
         HB3   10  GLU-  HG2   3.20  
         HB3   10  GLU-  HG3   3.90  
         HB3   11  GLU-  HN    3.10  
         HG2   11  GLU-  HN    4.80  
         HG2   11  GLU-  HA    5.20  
         HG3   11  GLU-  HN    3.70  
 11 GLU- 
         HN    11  GLU-  HA    3.10  
         HN    11  GLU-  HB2   3.40  
         HN    11  GLU-  HB3   3.30  
         HN    11  GLU-  QG    5.80  
         HN    12  ILE   HN    3.00  
         HN    12  ILE   HB    5.60  
         HN    13  GLN   HN    5.20  
         HA    11  GLU-  HB2   3.00  
         HA    11  GLU-  HB3   3.00  
         HA    11  GLU-  QG    6.40  
         HA    12  ILE   HN    3.90  
         HA    13  GLN   HN    4.70  
         HA    14  LYS+  HN    4.20  
         HA    14  LYS+  HB3   4.00  
         HA    14  LYS+  QG    5.10  
         HA    14  LYS+  QE    5.70  
         HB2   11  GLU-  QG    4.20  
         HB2   12  ILE   HN    3.40  
         HB2   22  TRP   HZ3   5.50  
         HB3   11  GLU-  QG    3.70  
         HB3   12  ILE   HN    3.40  
         HB3   12  ILE   HA    3.90  
         HB3   22  TRP   HE3   4.80  
         HB3   22  TRP   HZ3   4.60  
         QG    12  ILE   HN    5.60  
         QG    22  TRP   HZ3   5.70  
         QG    22  TRP   HH2   6.60  
 12 ILE  
         HN    12  ILE   HA    3.20  
         HN    12  ILE   HB    2.80  
         HN    12  ILE   QG2   5.00  
         HN    13  GLN   HN    2.90  
         HN    13  GLN   QG    6.70  
         HN    14  LYS+  HN    6.00  
         HN    22  TRP   HE3   5.00  
         HN    22  TRP   HZ3   5.00  
         HA    12  ILE   HB    3.10  
         HA    12  ILE   QG2   3.50  
         HA    13  GLN   HN    3.70  
         HA    14  LYS+  HN    4.80  
         HA    15  HIS   HN    4.00  
         HA    15  HIS   HB2   4.70  
         HA    15  HIS   HB3   5.40  
         HA    15  HIS   HD2   4.00  
         HA    22  TRP   HE3   2.90  
         HA    22  TRP   HZ3   3.80  
         HA    29  VAL   QG1   7.00  
         HB    12  ILE   QG2   3.50  
         HB    13  GLN   HN    3.20  
         HB    13  GLN   QG    5.30  
         QG2   13  GLN   HN    4.70  
         QG2   13  GLN   QG    8.00  
         QG2   14  LYS+  HN    7.00  
         QG2   22  TRP   HN    6.60  
         QG2   22  TRP   HA    5.70  
         QG2   22  TRP   HB2   5.70  
         QG2   22  TRP   HB3   4.70  
         QG2   22  TRP   HE3   3.80  
         QG2   22  TRP   HZ3   6.70  
         QG2   23  LEU   HN    4.60  
         QG2   24  ILE   HG13  3.70  
         QG2   29  VAL   HA    5.10  
         QG2   29  VAL   QG1   5.40  
         QG2   29  VAL   QG2   5.50  
         QG2   51  GLY   HN    4.80  
         QG2   51  GLY   HA1   4.30  
         QG2   51  GLY   HA2   5.60  
         QG2   52  GLY   HN    5.90  
         QG2   52  GLY   HA2   5.90  
 13 GLN  
         HN    13  GLN   HA    3.10  
         HN    13  GLN   HB2   2.90  
         HN    13  GLN   HB3   3.40  
         HN    13  GLN   QG    4.40  
         HN    14  LYS+  HN    3.40  
         HN    14  LYS+  QG    5.70  
         HN    15  HIS   HN    5.40  
         HA    13  GLN   HB2   3.20  
         HA    13  GLN   HB3   2.90  
         HA    13  GLN   QG    4.10  
         HA    14  LYS+  HN    4.20  
         HA    15  HIS   HN    3.90  
         HA    51  GLY   HN    5.10  
         HA    51  GLY   HA1   3.40  
         HA    51  GLY   HA2   4.00  
         HB2   13  GLN   QG    4.30  
         HB2   14  LYS+  HN    3.80  
         HB3   13  GLN   QG    4.30  
         HB3   14  LYS+  HN    3.80  
         HB3   14  LYS+  HA    4.80  
         HB3   14  LYS+  QG    4.90  
         QG    14  LYS+  HN    6.50  
         QG    51  GLY   HA1   6.20  
         QG    51  GLY   HA2   5.80  
 14 LYS+ 
         HN    14  LYS+  HA    3.10  
         HN    14  LYS+  HB2   2.90  
         HN    14  LYS+  HB3   3.60  
         HN    14  LYS+  QG    4.20  
         HN    14  LYS+  QE    6.90  
         HN    15  HIS   HN    2.80  
         HA    14  LYS+  HB2   2.90  
         HA    14  LYS+  HB3   3.10  
         HA    14  LYS+  QG    3.80  
         HA    15  HIS   HN    3.50  
         HB2   14  LYS+  QG    3.60  
         HB2   14  LYS+  QE    6.50  
         HB2   15  HIS   HN    3.90  
         HB3   14  LYS+  QG    4.10  
         HB3   14  LYS+  QE    5.00  
         HB3   15  HIS   HN    4.40  
         QG    14  LYS+  QE    5.60  
         QG    15  HIS   HN    5.10  
 15 HIS  
         HN    15  HIS   HA    3.40  
         HN    15  HIS   HB2   3.20  
         HN    15  HIS   HB3   4.00  
         HN    15  HIS   HD2   3.60  
         HN    16  ASN   HN    4.20  
         HN    16  ASN   HD22  5.20  
         HN    22  TRP   HN    5.60  
         HA    15  HIS   HB2   3.30  
         HA    15  HIS   HB3   3.00  
         HA    15  HIS   HD2   3.70  
         HA    15  HIS   HE1   6.00  
         HA    16  ASN   HN    3.10  
         HA    22  TRP   HN    5.90  
         HB2   15  HIS   HD2   4.20  
         HB2   22  TRP   HN    4.30  
         HB2   22  TRP   HB2   4.50  
         HB2   22  TRP   HB3   4.70  
         HB2   22  TRP   HD1   4.40  
         HB2   22  TRP   HE3   6.00  
         HB3   15  HIS   HD2   4.10  
         HB3   15  HIS   HE1   5.40  
         HB3   16  ASN   HN    4.30  
         HB3   21  THR   HA    5.50  
         HB3   22  TRP   HN    4.20  
         HB3   22  TRP   HB2   4.50  
         HD2   15  HIS   HE1   4.50  
         HD2   22  TRP   HE3   5.10  
         HE1   22  TRP   HZ2   4.10  
         HE1   22  TRP   HH2   6.00  
 16 ASN  
         HN    16  ASN   HB2   4.60  
         HN    16  ASN   HB3   4.00  
         HN    17  ASN   HN    3.00  
         HN    17  ASN   HA    5.50  
         HA    50  ALA   QB    5.50  
         HA    51  GLY   HN    5.40  
         HB2   16  ASN   HD21  4.20  
         HB2   16  ASN   HD22  4.50  
         HB2   50  ALA   QB    5.20  
         HB2   51  GLY   HA1   5.60  
         HB2   51  GLY   HA2   5.10  
         HB3   16  ASN   HD21  4.10  
         HB3   16  ASN   HD22  4.50  
         HB3   50  ALA   QB    4.60  
         HB3   51  GLY   HA1   5.60  
         HB3   51  GLY   HA2   5.10  
 17 ASN  
         HN    17  ASN   HA    3.50  
         HN    17  ASN   HB2   5.20  
         HN    17  ASN   HB3   3.60  
         HN    20  SER   HN    5.70  
         HN    21  THR   HA    5.80  
         HN    21  THR   QG2   7.00  
         HA    17  ASN   HB2   3.00  
         HA    17  ASN   HB3   2.90  
         HB2   17  ASN   HD22  4.60  
         HB3   17  ASN   HD22  4.10  
 18 SER  
         HN    18  SER   HA    4.90  
         HN    18  SER   QB    4.80  
         HA    18  SER   QB    4.20  
 19 LYS+ 
         HN    19  LYS+  HA    3.20  
         HN    19  LYS+  HB2   3.70  
         HN    19  LYS+  HB3   3.40  
         HN    19  LYS+  HG2   4.70  
         HN    19  LYS+  HG3   4.70  
         HN    19  LYS+  QD    7.00  
         HN    20  SER   HN    3.20  
         HA    19  LYS+  HB2   3.20  
         HA    19  LYS+  HB3   3.20  
         HA    19  LYS+  HG2   3.80  
         HA    19  LYS+  HG3   3.20  
         HA    19  LYS+  QD    5.20  
         HA    20  SER   HN    4.30  
         HB2   19  LYS+  HG2   3.40  
         HB2   19  LYS+  HG3   3.10  
         HB2   19  LYS+  QD    4.80  
         HB2   20  SER   HN    4.00  
         HB3   19  LYS+  HG2   2.70  
         HB3   19  LYS+  QE    4.80  
         HB3   20  SER   HN    4.00  
         HG2   19  LYS+  QD    4.90  
         HG3   19  LYS+  QD    5.10  
         QD    19  LYS+  QE    6.80  
 20 SER  
         HN    20  SER   HA    5.00  
         HN    20  SER   HB2   3.70  
         HN    20  SER   HB3   3.80  
         HN    21  THR   HN    4.70  
         HN    33  THR   QG2   6.60  
         HA    20  SER   HB2   3.40  
         HA    20  SER   HB3   4.10  
         HA    21  THR   HN    3.00  
         HA    33  THR   HA    5.00  
         HA    33  THR   QG2   4.10  
         HB2   21  THR   HN    5.20  
         HB3   21  THR   HN    5.30  
 21 THR  
         HN    21  THR   HA    3.80  
         HN    21  THR   HB    3.20  
         HN    21  THR   QG2   4.60  
         HN    22  TRP   HN    4.30  
         HN    22  TRP   HD1   4.40  
         HN    33  THR   HN    5.00  
         HN    33  THR   HA    3.70  
         HN    33  THR   HB    5.70  
         HN    33  THR   QG2   4.30  
         HN    36  LEU   QD1   5.90  
         HN    36  LEU   QD2   6.20  
         HA    21  THR   HB    3.70  
         HA    21  THR   QG2   3.70  
         HA    22  TRP   HN    2.80  
         HA    22  TRP   HA    4.50  
         HA    50  ALA   QB    5.20  
         HB    21  THR   QG2   3.50  
         HB    22  TRP   HN    4.70  
         HB    32  LEU   HN    6.00  
         HB    32  LEU   HB3   5.60  
         HB    32  LEU   QD2   7.00  
         HB    33  THR   HN    5.10  
         HB    36  LEU   HG    4.60  
         HB    36  LEU   QD1   4.30  
         HB    36  LEU   QD2   4.40  
         HB    50  ALA   QB    4.90  
         QG2   22  TRP   HN    4.80  
         QG2   22  TRP   HA    5.70  
         QG2   23  LEU   QD2   6.20  
         QG2   32  LEU   HN    5.30  
         QG2   32  LEU   HB2   5.10  
         QG2   32  LEU   QD2   5.50  
         QG2   33  THR   HN    6.10  
         QG2   33  THR   HA    5.50  
         QG2   36  LEU   QD2   4.50  
         QG2   50  ALA   HA    4.50  
         QG2   50  ALA   QB    4.60  
         QG2   51  GLY   HN    5.50  
 22 TRP  
         HN    22  TRP   HA    3.60  
         HN    22  TRP   HB2   3.40  
         HN    22  TRP   HB3   3.60  
         HN    22  TRP   HD1   4.70  
         HN    22  TRP   HE3   5.70  
         HN    23  LEU   HN    6.00  
         HN    50  ALA   HA    4.80  
         HN    50  ALA   QB    5.20  
         HN    51  GLY   HN    4.80  
         HN    51  GLY   HA1   5.20  
         HA    22  TRP   HB2   3.30  
         HA    22  TRP   HB3   3.10  
         HA    22  TRP   HD1   3.70  
         HA    22  TRP   HE3   6.00  
         HA    22  TRP   HE1   4.90  
         HA    23  LEU   HN    2.60  
         HA    23  LEU   HB3   4.40  
         HA    23  LEU   QD1   6.40  
         HA    23  LEU   QD2   7.00  
         HA    29  VAL   QG1   5.30  
         HA    30  TYR   HN    5.20  
         HA    31  ASP-  HA    3.40  
         HA    31  ASP-  HB2   5.70  
         HA    32  LEU   HN    3.60  
         HA    32  LEU   HG    6.00  
         HA    32  LEU   QD1   6.80  
         HA    76  ILE   QD1   7.00  
         HB2   22  TRP   HE3   4.40  
         HB2   22  TRP   HZ3   6.00  
         HB2   23  LEU   HN    3.60  
         HB2   29  VAL   QG1   6.10  
         HB2   76  ILE   QD1   5.80  
         HB3   22  TRP   HD1   4.70  
         HB3   22  TRP   HE3   4.20  
         HB3   22  TRP   HZ3   5.60  
         HB3   23  LEU   HN    2.90  
         HB3   29  VAL   QG1   5.20  
         HB3   31  ASP-  HA    4.80  
         HB3   51  GLY   HN    5.00  
         HD1   22  TRP   HE3   4.40  
         HD1   22  TRP   HE1   2.90  
         HD1   23  LEU   HN    5.00  
         HD1   29  VAL   QG1   7.00  
         HD1   31  ASP-  HA    3.50  
         HD1   31  ASP-  HB2   4.00  
         HD1   31  ASP-  HB3   6.00  
         HD1   32  LEU   HN    4.30  
         HD1   76  ILE   QD1   5.80  
         HE3   22  TRP   HE1   5.90  
         HE3   22  TRP   HZ3   3.40  
         HE3   22  TRP   HH2   6.00  
         HE3   76  ILE   QD1   5.80  
         HE1   22  TRP   HZ2   3.50  
         HE1   22  TRP   HH2   5.50  
         HE1   31  ASP-  HA    4.40  
         HE1   31  ASP-  HB2   3.70  
         HE1   31  ASP-  HB3   4.40  
         HE1   76  ILE   QD1   4.40  
         HZ3   22  TRP   HZ2   4.10  
         HZ3   22  TRP   HH2   3.10  
         HZ3   29  VAL   QG1   5.10  
         HZ3   29  VAL   QG2   5.80  
         HZ3   76  ILE   QD1   5.30  
         HZ2   22  TRP   HH2   3.00  
         HZ2   76  ILE   QG2   7.00  
         HZ2   76  ILE   QD1   4.30  
         HH2   29  VAL   QG1   7.00  
         HH2   76  ILE   QG2   7.00  
         HH2   76  ILE   QD1   4.60  
 23 LEU  
         HN    23  LEU   HA    3.50  
         HN    23  LEU   HB2   4.20  
         HN    23  LEU   HB3   3.90  
         HN    23  LEU   HG    4.20  
         HN    23  LEU   QD1   4.40  
         HN    23  LEU   QD2   5.50  
         HN    24  ILE   HN    4.60  
         HN    24  ILE   HA    4.70  
         HN    29  VAL   HA    5.60  
         HN    29  VAL   QG1   5.10  
         HN    29  VAL   QG2   6.90  
         HN    30  TYR   HN    3.50  
         HN    30  TYR   CG    6.90  
         HN    31  ASP-  HA    4.90  
         HN    32  LEU   QD1   5.90  
         HA    23  LEU   HB2   3.10  
         HA    23  LEU   HB3   3.00  
         HA    23  LEU   HG    3.60  
         HA    23  LEU   QD1   5.40  
         HA    23  LEU   QD2   4.90  
         HA    24  ILE   HN    2.80  
         HA    51  GLY   HN    4.10  
         HA    52  GLY   HN    4.60  
         HB2   23  LEU   HG    3.40  
         HB2   23  LEU   QD1   5.00  
         HB2   23  LEU   QD2   4.50  
         HB2   24  ILE   HN    3.10  
         HB2   50  ALA   HA    4.30  
         HB2   51  GLY   HN    4.50  
         HB2   52  GLY   HN    5.00  
         HB2   54  ALA   QB    5.10  
         HB3   23  LEU   QD1   4.30  
         HB3   23  LEU   QD2   4.30  
         HB3   24  ILE   HN    3.60  
         HB3   50  ALA   HA    4.70  
         HB3   51  GLY   HN    4.70  
         HB3   52  GLY   HN    4.00  
         HG    23  LEU   QD1   3.60  
         HG    23  LEU   QD2   4.00  
         HG    50  ALA   HA    5.30  
         HG    51  GLY   HN    4.60  
         HG    54  ALA   QB    5.80  
         QD1   24  ILE   HN    5.20  
         QD1   24  ILE   HA    7.00  
         QD1   25  LEU   HB3   6.40  
         QD1   25  LEU   HG    4.80  
         QD1   25  LEU   QD1   5.80  
         QD1   25  LEU   QD2   5.70  
         QD1   30  TYR   HN    4.90  
         QD1   30  TYR   HB2   5.10  
         QD1   30  TYR   HB3   5.60  
         QD1   30  TYR   CG    7.10  
         QD1   30  TYR   CZ    9.00  
         QD1   46  LEU   HA    7.00  
         QD1   50  ALA   HA    5.60  
         QD1   51  GLY   HN    6.40  
         QD1   52  GLY   HN    6.40  
         QD1   54  ALA   HN    6.10  
         QD1   54  ALA   QB    5.00  
         QD1   201 HEM   QM3   4.30  
         QD2   24  ILE   HN    5.30  
         QD2   25  LEU   HG    7.00  
         QD2   25  LEU   QD1   6.00  
         QD2   25  LEU   QD2   8.00  
         QD2   30  TYR   HN    6.50  
         QD2   30  TYR   HB3   6.20  
         QD2   32  LEU   QD1   6.80  
         QD2   46  LEU   HA    5.70  
         QD2   49  GLN   HN    5.80  
         QD2   49  GLN   HA    7.00  
         QD2   49  GLN   HB2   7.00  
         QD2   49  GLN   HB3   5.10  
         QD2   49  GLN   HG3   6.50  
         QD2   50  ALA   HN    6.50  
         QD2   50  ALA   HA    4.80  
         QD2   50  ALA   QB    8.00  
         QD2   51  GLY   HN    5.30  
         QD2   54  ALA   HN    6.60  
         QD2   54  ALA   QB    5.10  
         QD2   201 HEM   QM3   3.50  
 24 ILE  
         HN    24  ILE   HA    4.10  
         HN    24  ILE   HB    3.30  
         HN    24  ILE   QG2   4.70  
         HN    24  ILE   HG12  4.40  
         HN    24  ILE   HG13  3.90  
         HN    25  LEU   HN    4.30  
         HN    25  LEU   QD1   6.20  
         HN    52  GLY   HN    4.70  
         HN    54  ALA   HN    4.60  
         HN    54  ALA   QB    5.30  
         HA    24  ILE   HB    4.00  
         HA    24  ILE   QG2   4.00  
         HA    24  ILE   HG12  4.00  
         HA    24  ILE   HG13  4.10  
         HA    25  LEU   HN    2.80  
         HA    25  LEU   QD1   7.00  
         HA    25  LEU   QD2   7.00  
         HA    29  VAL   HA    3.60  
         HA    29  VAL   QG1   6.50  
         HA    29  VAL   QG2   4.50  
         HA    30  TYR   HN    4.40  
         HA    30  TYR   CG    7.20  
         HA    30  TYR   CZ    7.60  
         HB    24  ILE   QG2   3.60  
         HB    24  ILE   HG12  3.60  
         HB    24  ILE   HG13  3.70  
         HB    25  LEU   HN    5.00  
         HB    53  ASP-  HN    4.90  
         HB    53  ASP-  HA    5.40  
         QG2   24  ILE   HG12  4.30  
         QG2   25  LEU   HN    4.00  
         QG2   25  LEU   HA    5.40  
         QG2   26  HIS   HN    5.10  
         QG2   26  HIS   HA    5.20  
         QG2   27  TYR   HN    3.90  
         QG2   27  TYR   HA    4.00  
         QG2   27  TYR   HB2   5.80  
         QG2   27  TYR   CG    7.20  
         QG2   28  LYS+  HN    4.20  
         QG2   29  VAL   HA    6.00  
         QG2   30  TYR   CG    8.80  
         QG2   30  TYR   CZ    9.00  
         QG2   79  LEU   HN    5.70  
         QG2   79  LEU   QD1   5.10  
         QG2   79  LEU   QD2   5.20  
         HG12  29  VAL   HN    4.50  
         HG12  29  VAL   QG1   4.80  
         HG12  79  LEU   QD1   3.50  
         HG13  25  LEU   HN    4.70  
         HG13  29  VAL   HA    6.00  
         HG13  29  VAL   QG1   5.00  
         HG13  54  ALA   HN    5.30  
         HG13  79  LEU   QD1   5.20  
         HG13  79  LEU   QD2   6.20  
 25 LEU  
         HN    25  LEU   HA    3.70  
         HN    25  LEU   HB2   3.40  
         HN    25  LEU   HB3   3.60  
         HN    25  LEU   HG    4.70  
         HN    25  LEU   QD1   5.20  
         HN    25  LEU   QD2   5.10  
         HN    26  HIS   HN    4.20  
         HN    27  TYR   HN    4.50  
         HN    28  LYS+  HN    3.80  
         HN    28  LYS+  QB    5.40  
         HN    29  VAL   HA    4.40  
         HN    30  TYR   HN    4.80  
         HN    30  TYR   CG    6.00  
         HN    30  TYR   CZ    5.80  
         HA    25  LEU   HB2   3.50  
         HA    25  LEU   HB3   3.40  
         HA    25  LEU   HG    3.90  
         HA    25  LEU   QD1   3.70  
         HA    25  LEU   QD2   4.90  
         HA    26  HIS   HN    2.90  
         HA    30  TYR   CZ    7.20  
         HA    54  ALA   HN    4.40  
         HA    55  THR   HN    4.60  
         HA    55  THR   HA    3.70  
         HA    55  THR   QG2   5.20  
         HB2   25  LEU   HG    4.00  
         HB2   25  LEU   QD1   4.70  
         HB2   25  LEU   QD2   4.00  
         HB2   26  HIS   HN    4.90  
         HB2   26  HIS   HD2   4.40  
         HB2   30  TYR   CG    6.20  
         HB2   30  TYR   CZ    5.50  
         HB2   55  THR   QG2   6.00  
         HB3   25  LEU   HG    3.20  
         HB3   25  LEU   QD1   3.50  
         HB3   25  LEU   QD2   4.20  
         HB3   26  HIS   HN    4.50  
         HB3   26  HIS   HD2   3.90  
         HB3   30  TYR   CG    6.60  
         HB3   30  TYR   CZ    5.70  
         HB3   55  THR   QG2   5.00  
         HG    25  LEU   QD1   3.50  
         HG    25  LEU   QD2   3.50  
         HG    26  HIS   HN    5.90  
         HG    30  TYR   CG    6.30  
         HG    30  TYR   CZ    6.20  
         HG    54  ALA   HN    6.00  
         QD1   26  HIS   HN    5.10  
         QD1   26  HIS   QB    8.00  
         QD1   26  HIS   HD2   6.20  
         QD1   30  TYR   CG    9.00  
         QD1   30  TYR   CZ    7.70  
         QD1   54  ALA   HN    4.60  
         QD1   54  ALA   HA    6.70  
         QD1   54  ALA   QB    4.90  
         QD1   55  THR   HN    5.80  
         QD1   55  THR   HA    3.90  
         QD1   55  THR   QG2   6.30  
         QD1   56  ALA   HN    7.00  
         QD1   57  ASN   HN    7.00  
         QD1   58  PHE   HN    4.90  
         QD1   59  GLU-  HN    6.00  
         QD1   201 HEM   QM3   4.10  
         QD2   26  HIS   HD2   6.00  
         QD2   30  TYR   CG    7.20  
         QD2   30  TYR   CZ    6.60  
         QD2   55  THR   HA    7.00  
         QD2   71  SER   QB    8.00  
         QD2   201 HEM   HV2A  3.80  
         QD2   201 HEM   HV2T  3.80  
         QD2   201 HEM   HV2C  3.70  
         QD2   201 HEM   QM3   4.20  
 26 HIS  
         HN    26  HIS   HA    2.70  
         HN    26  HIS   QB    4.40  
         HN    26  HIS   HD2   5.60  
         HN    27  TYR   HN    3.50  
         HN    28  LYS+  HN    4.90  
         HN    55  THR   HN    4.80  
         HN    55  THR   HA    3.90  
         HN    55  THR   HB    4.70  
         HN    55  THR   QG2   4.00  
         HA    26  HIS   QB    3.80  
         HA    26  HIS   HD2   4.30  
         HA    27  TYR   HN    2.80  
         HA    27  TYR   CG    5.40  
         HA    28  LYS+  HN    4.60  
         HA    55  THR   QG2   4.70  
         QB    26  HIS   HD2   5.10  
         QB    27  TYR   HN    4.70  
         QB    27  TYR   CG    9.00  
         QB    28  LYS+  HN    6.20  
         QB    55  THR   QG2   6.20  
         HD2   26  HIS   HE1   5.60  
         HD2   55  THR   QG2   5.10  
         HE1   55  THR   QG2   3.80  
 27 TYR  
         HN    27  TYR   HA    2.50  
         HN    27  TYR   HB2   3.80  
         HN    27  TYR   HB3   4.00  
         HN    27  TYR   CG    6.20  
         HN    28  LYS+  HN    3.30  
         HN    55  THR   QG2   6.70  
         HN    79  LEU   QD2   6.30  
         HA    27  TYR   HB2   3.10  
         HA    27  TYR   HB3   3.20  
         HA    27  TYR   CG    4.70  
         HA    27  TYR   CZ    6.60  
         HA    28  LYS+  HN    3.80  
         HA    79  LEU   HN    5.20  
         HA    79  LEU   QD1   6.20  
         HB2   27  TYR   CG    5.40  
         HB2   27  TYR   CZ    7.10  
         HB2   28  LYS+  HN    4.30  
         HB2   79  LEU   HN    5.40  
         HB2   79  LEU   QB    6.10  
         HB2   79  LEU   QD2   6.00  
         HB3   27  TYR   CG    5.80  
         HB3   27  TYR   CZ    7.90  
         HB3   28  LYS+  HN    4.60  
         HB3   79  LEU   HN    4.40  
         HB3   79  LEU   QB    5.60  
         HB3   79  LEU   QD1   5.80  
         HB3   79  LEU   QD2   5.70  
         CG    27  TYR   CZ    7.50  
         CG    28  LYS+  QB    9.00  
         CG    79  LEU   HN    8.00  
         CG    79  LEU   QB    8.30  
         CG    79  LEU   QD1   7.00  
         CG    79  LEU   QD2   5.90  
         CG    84  ARG+  HA    7.60  
         CG    84  ARG+  HB2   6.60  
         CG    84  ARG+  HB3   7.30  
         CZ    79  LEU   QD1   7.70  
         CZ    79  LEU   QD2   6.40  
         CZ    84  ARG+  HA    6.30  
         CZ    84  ARG+  HB2   6.30  
         CZ    84  ARG+  HB3   6.50  
 28 LYS+ 
         HN    28  LYS+  QB    4.10  
         HN    28  LYS+  HG2   5.60  
         HN    28  LYS+  HG3   3.90  
         HN    28  LYS+  HD2   5.20  
         HN    28  LYS+  HD3   6.00  
         HN    30  TYR   CG    7.60  
         HN    30  TYR   CZ    6.50  
         QB    28  LYS+  HG2   4.30  
         QB    28  LYS+  HG3   4.30  
         QB    28  LYS+  HD2   5.80  
         QB    28  LYS+  HD3   4.40  
         QB    29  VAL   HN    4.60  
         QB    30  TYR   CZ    7.10  
         QB    78  GLU-  HA    5.40  
         HG2   28  LYS+  HD2   3.60  
         HG2   28  LYS+  HD3   3.00  
         HG2   78  GLU-  HA    4.30  
         HG2   78  GLU-  QG    6.10  
         HG3   28  LYS+  HD3   2.80  
         HG3   30  TYR   CZ    7.70  
         HD2   30  TYR   CZ    7.80  
         HD2   75  ILE   QD1   5.20  
         HD3   30  TYR   CZ    6.30  
         HD3   75  ILE   QD1   4.00  
 29 VAL  
         HN    29  VAL   HA    3.70  
         HN    29  VAL   HB    3.20  
         HN    29  VAL   QG1   4.80  
         HN    29  VAL   QG2   4.00  
         HN    30  TYR   CG    8.00  
         HN    30  TYR   CZ    8.00  
         HN    75  ILE   HG12  3.90  
         HN    76  ILE   HN    4.50  
         HN    76  ILE   HG12  5.80  
         HN    76  ILE   QD1   6.10  
         HN    77  GLY   HN    4.30  
         HN    78  GLU-  HN    4.30  
         HN    78  GLU-  HA    3.60  
         HN    79  LEU   HN    4.50  
         HA    29  VAL   HB    4.30  
         HA    29  VAL   QG1   4.20  
         HA    29  VAL   QG2   4.10  
         HA    30  TYR   HN    2.60  
         HA    30  TYR   CG    6.00  
         HA    30  TYR   CZ    6.40  
         HA    76  ILE   HN    6.00  
         HA    77  GLY   HN    5.70  
         HB    29  VAL   QG1   3.80  
         HB    29  VAL   QG2   3.60  
         HB    76  ILE   HN    5.00  
         HB    76  ILE   HG12  4.60  
         HB    76  ILE   QD1   7.00  
         HB    77  GLY   HN    4.40  
         HB    78  GLU-  HN    5.30  
         HB    78  GLU-  HA    4.60  
         QG1   30  TYR   HN    4.30  
         QG1   30  TYR   HA    5.10  
         QG1   30  TYR   HB2   5.80  
         QG1   31  ASP-  HN    7.00  
         QG1   31  ASP-  HB2   6.50  
         QG1   75  ILE   HA    7.00  
         QG1   76  ILE   HN    6.20  
         QG1   76  ILE   HG12  3.70  
         QG1   76  ILE   HG13  4.20  
         QG1   76  ILE   QD1   4.80  
         QG1   77  GLY   HN    6.20  
         QG1   78  GLU-  HN    7.00  
         QG1   78  GLU-  HA    7.00  
         QG2   30  TYR   CG    8.10  
         QG2   76  ILE   HN    7.00  
         QG2   76  ILE   HG12  5.80  
         QG2   76  ILE   HG13  5.50  
         QG2   76  ILE   QD1   7.70  
         QG2   77  GLY   HN    6.20  
         QG2   78  GLU-  HN    5.10  
         QG2   78  GLU-  HA    4.20  
         QG2   79  LEU   HN    4.50  
         QG2   79  LEU   HA    5.50  
         QG2   80  HIS   HN    5.80  
 30 TYR  
         HN    30  TYR   HA    3.70  
         HN    30  TYR   HB2   3.10  
         HN    30  TYR   HB3   3.80  
         HN    30  TYR   CG    5.60  
         HN    30  TYR   CZ    6.20  
         HN    31  ASP-  HN    4.40  
         HN    32  LEU   QD1   5.50  
         HN    75  ILE   HA    5.40  
         HN    76  ILE   HG13  4.40  
         HN    76  ILE   QD1   5.80  
         HA    30  TYR   HB2   3.40  
         HA    30  TYR   HB3   3.00  
         HA    30  TYR   CG    5.90  
         HA    31  ASP-  HN    2.70  
         HA    32  LEU   QD1   5.30  
         HA    32  LEU   QD2   6.60  
         HA    74  PHE   QB    7.00  
         HA    75  ILE   HA    3.50  
         HA    76  ILE   HN    3.70  
         HA    76  ILE   HG13  3.90  
         HA    76  ILE   QD1   6.80  
         HB2   30  TYR   CG    5.40  
         HB2   30  TYR   CZ    6.50  
         HB2   31  ASP-  HN    4.60  
         HB2   32  LEU   QD1   4.60  
         HB2   32  LEU   QD2   5.90  
         HB2   75  ILE   HA    6.00  
         HB3   30  TYR   CG    5.50  
         HB3   30  TYR   CZ    7.30  
         HB3   31  ASP-  HN    3.90  
         HB3   32  LEU   QD1   4.80  
         HB3   75  ILE   HA    5.10  
         CG    30  TYR   CZ    7.50  
         CG    31  ASP-  HN    7.70  
         CG    32  LEU   QD1   6.70  
         CG    71  SER   HA    7.30  
         CG    71  SER   QB    8.90  
         CG    74  PHE   HN    7.10  
         CG    74  PHE   QB    7.20  
         CG    74  PHE   CG    8.60  
         CG    75  ILE   HN    6.50  
         CG    75  ILE   HA    7.00  
         CG    75  ILE   HB    8.00  
         CG    75  ILE   QG2   7.70  
         CG    75  ILE   HG12  6.80  
         CG    75  ILE   HG13  6.80  
         CG    75  ILE   QD1   8.10  
         CG    76  ILE   HN    8.00  
         CG    201 HEM   QM1   9.00  
         CG    201 HEM   HV2T  5.60  
         CZ    32  LEU   QD1   9.00  
         CZ    71  SER   HA    6.30  
         CZ    71  SER   QB    7.60  
         CZ    74  PHE   HN    8.00  
         CZ    74  PHE   QB    9.00  
         CZ    74  PHE   CG    10.00 
         CZ    75  ILE   HN    8.00  
         CZ    75  ILE   HA    6.80  
         CZ    75  ILE   HB    7.80  
         CZ    75  ILE   QG2   8.00  
         CZ    75  ILE   HG12  6.30  
         CZ    75  ILE   HG13  6.10  
         CZ    75  ILE   QD1   7.20  
         CZ    201 HEM   QM1   9.00  
         CZ    201 HEM   HV2T  7.10  
 31 ASP- 
         HN    31  ASP-  HA    4.10  
         HN    31  ASP-  HB2   3.50  
         HN    31  ASP-  HB3   3.30  
         HN    32  LEU   HN    5.00  
         HN    32  LEU   QD1   4.80  
         HN    74  PHE   QB    5.90  
         HN    75  ILE   HA    4.30  
         HN    76  ILE   HN    4.00  
         HN    76  ILE   QG2   4.30  
         HN    76  ILE   HG12  4.70  
         HN    76  ILE   QD1   4.90  
         HA    31  ASP-  HB2   3.20  
         HA    31  ASP-  HB3   3.50  
         HA    32  LEU   HN    2.70  
         HA    32  LEU   HG    5.30  
         HA    32  LEU   QD1   6.10  
         HA    32  LEU   QD2   6.90  
         HA    76  ILE   QG2   5.20  
         HA    76  ILE   QD1   5.50  
         HB2   32  LEU   HN    4.60  
         HB2   76  ILE   HG13  4.60  
         HB2   76  ILE   QD1   4.10  
         HB3   32  LEU   HN    4.60  
         HB3   76  ILE   QG2   4.10  
         HB3   76  ILE   QD1   4.40  
 32 LEU  
         HN    32  LEU   HA    2.90  
         HN    32  LEU   HB2   3.30  
         HN    32  LEU   HB3   4.10  
         HN    32  LEU   HG    4.10  
         HN    32  LEU   QD1   4.70  
         HN    32  LEU   QD2   5.10  
         HN    33  THR   HN    3.00  
         HA    32  LEU   HB2   3.40  
         HA    32  LEU   HB3   3.00  
         HA    32  LEU   HG    4.00  
         HA    32  LEU   QD1   3.60  
         HA    32  LEU   QD2   5.50  
         HA    33  THR   HN    3.80  
         HA    34  LYS+  HN    4.60  
         HA    35  PHE   HN    4.10  
         HA    35  PHE   HB2   4.30  
         HA    35  PHE   HB3   4.10  
         HA    35  PHE   CG    7.20  
         HB2   32  LEU   QD1   4.40  
         HB2   32  LEU   QD2   4.50  
         HB2   33  THR   HN    4.00  
         HB2   35  PHE   HB2   4.40  
         HB2   35  PHE   HB3   3.50  
         HB2   35  PHE   CG    6.80  
         HB2   36  LEU   HG    4.70  
         HB3   32  LEU   HG    3.80  
         HB3   32  LEU   QD1   4.60  
         HB3   32  LEU   QD2   4.70  
         HB3   33  THR   HN    4.60  
         HB3   35  PHE   HB2   4.00  
         HB3   35  PHE   HB3   3.00  
         HB3   35  PHE   CG    6.80  
         HG    32  LEU   QD1   4.20  
         HG    32  LEU   QD2   4.00  
         HG    33  THR   HN    5.20  
         QD1   33  THR   HN    6.00  
         QD1   35  PHE   HB2   5.00  
         QD1   35  PHE   HB3   5.50  
         QD1   35  PHE   CG    6.80  
         QD1   35  PHE   CZ    8.70  
         QD1   74  PHE   QB    6.20  
         QD1   74  PHE   CG    6.70  
         QD1   74  PHE   CZ    7.70  
         QD1   74  PHE   HZ    7.00  
         QD1   201 HEM   QM1   6.90  
         QD1   201 HEM   HV2A  3.50  
         QD1   201 HEM   HV2T  3.70  
         QD2   35  PHE   CG    7.40  
         QD2   35  PHE   CZ    7.70  
         QD2   74  PHE   CG    9.00  
         QD2   201 HEM   HV2T  5.50  
 33 THR  
         HN    33  THR   HA    3.20  
         HN    33  THR   HB    3.60  
         HN    33  THR   QG2   4.80  
         HN    34  LYS+  HN    3.70  
         HN    35  PHE   HN    4.30  
         HA    33  THR   HB    3.00  
         HA    33  THR   QG2   4.30  
         HA    34  LYS+  HN    4.90  
         HA    34  LYS+  HA    4.80  
         HA    35  PHE   HN    4.50  
         HA    36  LEU   HN    4.80  
         HA    36  LEU   HG    3.80  
         HA    36  LEU   QD1   4.10  
         HA    36  LEU   QD2   4.80  
         HB    33  THR   QG2   3.50  
         HB    34  LYS+  HN    3.80  
         QG2   34  LYS+  HN    5.10  
         QG2   34  LYS+  HA    5.50  
         QG2   36  LEU   HG    7.00  
 34 LYS+ 
         HN    34  LYS+  HA    3.90  
         HN    34  LYS+  HB2   3.30  
         HN    34  LYS+  HB3   4.20  
         HN    34  LYS+  HG2   4.30  
         HN    34  LYS+  HG3   4.70  
         HN    34  LYS+  QD    5.40  
         HN    35  PHE   HN    3.20  
         HN    35  PHE   HB2   4.80  
         HN    35  PHE   HB3   4.40  
         HN    36  LEU   HN    4.70  
         HA    34  LYS+  HB2   3.00  
         HA    34  LYS+  HB3   3.50  
         HA    34  LYS+  HG2   3.50  
         HA    34  LYS+  HG3   3.40  
         HA    34  LYS+  QD    4.60  
         HA    35  PHE   HN    3.70  
         HA    36  LEU   HN    4.50  
         HB2   34  LYS+  HG2   2.60  
         HB2   34  LYS+  QD    3.90  
         HB2   35  PHE   HN    4.30  
         HB2   74  PHE   CZ    7.20  
         HB3   34  LYS+  HG2   2.50  
         HB3   34  LYS+  QD    4.70  
         HB3   34  LYS+  QE    4.90  
         HG2   34  LYS+  QD    4.70  
         HG2   34  LYS+  QE    7.00  
         HG3   34  LYS+  QD    4.80  
         HG3   34  LYS+  QE    6.80  
 35 PHE  
         HN    35  PHE   HA    3.30  
         HN    35  PHE   HB2   3.10  
         HN    35  PHE   HB3   3.20  
         HN    35  PHE   CG    6.50  
         HN    36  LEU   HN    2.80  
         HN    36  LEU   HB2   4.30  
         HN    36  LEU   HG    3.50  
         HN    36  LEU   QD1   7.00  
         HN    36  LEU   QD2   7.00  
         HA    35  PHE   HB2   2.80  
         HA    35  PHE   HB3   3.00  
         HA    35  PHE   CG    4.40  
         HA    36  LEU   HN    4.20  
         HA    37  GLU-  HN    5.30  
         HA    38  GLU-  HN    3.50  
         HA    38  GLU-  HB2   3.30  
         HA    38  GLU-  HB3   3.60  
         HA    38  GLU-  HG2   3.70  
         HA    39  HIS   HN    5.90  
         HA    74  PHE   CZ    8.00  
         HA    74  PHE   HZ    5.60  
         HB2   35  PHE   CG    5.60  
         HB2   36  LEU   HN    4.20  
         HB2   74  PHE   CG    8.00  
         HB2   74  PHE   CZ    6.50  
         HB2   74  PHE   HZ    3.90  
         HB3   35  PHE   CG    5.60  
         HB3   36  LEU   HN    4.30  
         HB3   74  PHE   CG    7.60  
         HB3   74  PHE   CZ    7.00  
         HB3   74  PHE   HZ    4.30  
         CG    35  PHE   CZ    9.50  
         CG    36  LEU   HN    8.00  
         CG    36  LEU   QD2   9.00  
         CG    38  GLU-  HN    7.60  
         CG    38  GLU-  HB2   6.00  
         CG    38  GLU-  HB3   6.30  
         CG    39  HIS   HN    8.00  
         CG    74  PHE   CG    9.70  
         CG    74  PHE   CZ    8.60  
         CG    74  PHE   HZ    5.80  
         CG    201 HEM   QM1   7.50  
         CZ    201 HEM   QM1   7.80  
         HZ    38  GLU-  HB2   4.90  
         HZ    201 HEM   QM1   7.00  
 36 LEU  
         HN    36  LEU   HB2   2.90  
         HN    36  LEU   HB3   3.70  
         HN    36  LEU   HG    3.00  
         HN    36  LEU   QD1   4.10  
         HN    36  LEU   QD2   4.20  
         HN    37  GLU-  HN    3.30  
         HN    38  GLU-  HN    4.60  
         HA    39  HIS   HN    4.20  
         HB2   36  LEU   QD1   3.60  
         HB2   36  LEU   QD2   4.10  
         HB2   37  GLU-  HN    3.30  
         HB2   43  GLU-  HA    5.10  
         HB2   43  GLU-  HB2   3.90  
         HB3   36  LEU   HG    3.20  
         HB3   36  LEU   QD1   3.50  
         HB3   36  LEU   QD2   3.50  
         HB3   37  GLU-  HN    3.30  
         HB3   43  GLU-  HA    5.00  
         HB3   43  GLU-  HB2   4.50  
         HB3   43  GLU-  HB3   4.00  
         HG    36  LEU   QD1   3.60  
         HG    36  LEU   QD2   3.50  
         QD1   37  GLU-  HN    5.00  
         QD1   43  GLU-  HA    7.00  
         QD1   43  GLU-  HB2   5.50  
         QD1   43  GLU-  HB3   6.30  
         QD1   47  ARG+  HA    5.70  
         QD1   47  ARG+  QB    6.50  
         QD1   47  ARG+  QD    7.10  
         QD2   37  GLU-  HN    5.70  
         QD2   43  GLU-  HA    5.00  
         QD2   43  GLU-  HB2   5.10  
         QD2   43  GLU-  HB3   7.00  
         QD2   46  LEU   QB    6.10  
         QD2   47  ARG+  HN    4.80  
         QD2   47  ARG+  HA    5.80  
         QD2   47  ARG+  QB    6.60  
         QD2   47  ARG+  QD    7.20  
 37 GLU- 
         HN    37  GLU-  HA    3.20  
         HN    37  GLU-  HB2   3.60  
         HN    37  GLU-  HB3   3.20  
         HN    37  GLU-  QG    4.60  
         HN    38  GLU-  HN    2.70  
         HN    39  HIS   HN    4.30  
         HA    37  GLU-  HB2   2.80  
         HA    37  GLU-  HB3   3.00  
         HA    37  GLU-  QG    4.40  
         HA    38  GLU-  HN    3.80  
         HA    39  HIS   HN    4.60  
         HB3   37  GLU-  QG    4.10  
         HB3   38  GLU-  HN    3.50  
 38 GLU- 
         HN    38  GLU-  HA    3.70  
         HN    38  GLU-  HB2   2.90  
         HN    38  GLU-  HB3   4.20  
         HN    38  GLU-  HG2   3.80  
         HN    38  GLU-  HG3   4.10  
         HN    39  HIS   HN    2.60  
         HA    38  GLU-  HB2   3.00  
         HA    38  GLU-  HB3   3.00  
         HA    38  GLU-  HG2   4.50  
         HA    38  GLU-  HG3   4.00  
         HA    39  HIS   HN    4.70  
         HB2   39  HIS   HN    3.60  
         HB3   39  HIS   HN    3.90  
         HG2   39  HIS   HN    4.80  
         HG3   39  HIS   HN    4.80  
 39 HIS  
         HN    39  HIS   HA    2.80  
         HN    39  HIS   HB2   2.60  
         HN    39  HIS   HB3   2.50  
         HA    39  HIS   HB3   3.50  
         HA    40  PRO   HG3   6.00  
 40 PRO  
         HA    40  PRO   HB3   3.10  
         HB2   201 HEM   HAP72 6.00  
         HB3   201 HEM   HAP72 6.00  
         HG2   201 HEM   HAP71 5.80  
         HG2   201 HEM   HAP72 6.00  
         HG2   201 HEM   QM8   5.50  
         HG3   201 HEM   HAP72 6.00  
 41 GLY  
         HN    41  GLY   HA1   4.20  
         HN    41  GLY   HA2   3.40  
         HA1   201 HEM   HBM   5.80  
         HA1   201 HEM   HAP61 6.00  
         HA1   201 HEM   HAP62 6.00  
         HA2   201 HEM   HBM   5.10  
 42 GLY  
         HN    42  GLY   HA1   3.30  
         HN    42  GLY   HA2   3.30  
         HN    43  GLU-  HN    5.70  
         HA1   43  GLU-  HN    3.50  
         HA1   44  ALA   HN    6.00  
         HA2   43  GLU-  HN    3.40  
         HA2   44  ALA   HN    6.00  
         HA2   45  VAL   HN    6.00  
 43 GLU- 
         HN    43  GLU-  HA    3.80  
         HN    43  GLU-  HB2   3.60  
         HN    43  GLU-  HB3   3.60  
         HA    43  GLU-  HB2   3.30  
         HA    43  GLU-  HB3   3.40  
         HA    44  ALA   HN    5.40  
         HA    45  VAL   HN    6.00  
         HA    46  LEU   HN    4.60  
         HA    46  LEU   QB    5.20  
         HA    46  LEU   HG    5.20  
         HA    47  ARG+  HN    5.90  
         HB2   44  ALA   HN    4.00  
         HB3   44  ALA   HN    4.30  
         HB3   44  ALA   QB    7.00  
 44 ALA  
         HN    44  ALA   HA    3.60  
         HN    44  ALA   QB    3.50  
         HN    45  VAL   HN    5.10  
         HN    46  LEU   HN    6.00  
         HN    47  ARG+  HN    6.00  
         HA    44  ALA   QB    3.50  
         HA    45  VAL   HN    4.20  
         HA    46  LEU   HN    5.90  
         HA    47  ARG+  HN    3.80  
         HA    47  ARG+  QB    4.20  
         HA    47  ARG+  QG    5.00  
         HA    47  ARG+  QD    6.60  
         HA    48  ALA   HN    4.60  
         QB    45  VAL   HN    3.50  
         QB    45  VAL   HA    5.40  
 45 VAL  
         HN    45  VAL   HA    3.30  
         HN    45  VAL   HB    3.50  
         HN    45  VAL   QG1   5.30  
         HN    45  VAL   QG2   4.70  
         HN    46  LEU   HN    3.40  
         HN    47  ARG+  HN    4.40  
         HN    48  ALA   HN    6.00  
         HN    48  ALA   QB    6.10  
         HA    45  VAL   HB    3.10  
         HA    45  VAL   QG1   5.00  
         HA    45  VAL   QG2   3.70  
         HA    46  LEU   HN    4.50  
         HA    48  ALA   HN    3.90  
         HA    48  ALA   QB    3.50  
         HB    45  VAL   QG1   5.60  
         HB    45  VAL   QG2   4.10  
         HB    46  LEU   HN    4.70  
         QG1   46  LEU   HN    6.80  
         QG1   201 HEM   QM5   4.30  
         QG2   46  LEU   HN    7.00  
         QG2   201 HEM   QM5   6.60  
 46 LEU  
         HN    46  LEU   HA    3.70  
         HN    46  LEU   QB    4.40  
         HN    46  LEU   HG    4.10  
         HN    47  ARG+  HN    3.10  
         HN    47  ARG+  QB    5.10  
         HN    48  ALA   HN    4.60  
         HA    46  LEU   QB    4.30  
         HA    46  LEU   HG    3.70  
         HA    46  LEU   QD2   6.10  
         HA    47  ARG+  HN    3.90  
         HA    49  GLN   HN    5.20  
         HA    49  GLN   HB3   4.60  
         QB    46  LEU   HG    4.70  
         QB    46  LEU   QD2   7.30  
         QB    47  ARG+  HN    4.50  
         HG    47  ARG+  HN    5.30  
         HG    201 HEM   QM3   6.00  
 47 ARG+ 
         HN    47  ARG+  HA    3.00  
         HN    47  ARG+  QB    3.40  
         HN    47  ARG+  QG    5.00  
         HN    47  ARG+  QD    6.40  
         HN    48  ALA   HN    3.20  
         HN    48  ALA   QB    4.90  
         HN    49  GLN   HN    5.80  
         HA    47  ARG+  QB    3.40  
         HA    47  ARG+  QG    4.40  
         HA    47  ARG+  QD    5.50  
         HA    48  ALA   HN    3.80  
         HA    49  GLN   HN    4.80  
         HA    50  ALA   HN    3.90  
         HA    50  ALA   QB    3.50  
         QB    47  ARG+  QG    5.10  
         QB    47  ARG+  QD    5.30  
         QB    48  ALA   HN    4.40  
         QB    48  ALA   HA    5.20  
         QG    47  ARG+  QD    5.90  
         QG    48  ALA   HN    6.70  
 48 ALA  
         HN    48  ALA   HA    3.10  
         HN    48  ALA   QB    3.50  
         HN    49  GLN   HN    2.90  
         HN    49  GLN   HB2   4.60  
         HN    50  ALA   HN    6.00  
         HA    48  ALA   QB    3.50  
         HA    49  GLN   HN    3.70  
         HA    50  ALA   HN    4.30  
         QB    49  GLN   HN    3.50  
         QB    49  GLN   HG2   5.30  
         QB    50  ALA   HN    5.30  
 49 GLN  
         HN    49  GLN   HA    3.10  
         HN    49  GLN   HB2   3.40  
         HN    49  GLN   HB3   3.40  
         HN    49  GLN   HG2   4.10  
         HN    49  GLN   HG3   3.90  
         HN    50  ALA   HN    2.60  
         HN    50  ALA   HA    5.10  
         HN    50  ALA   QB    5.40  
         HA    49  GLN   HB2   3.30  
         HA    49  GLN   HB3   3.00  
         HA    49  GLN   HG2   3.40  
         HA    49  GLN   HG3   4.00  
         HA    49  GLN   QE2   6.60  
         HA    50  ALA   HN    3.70  
         HA    54  ALA   QB    5.80  
         HB2   49  GLN   HG2   2.60  
         HB2   49  GLN   HG3   3.20  
         HB2   49  GLN   QE2   6.80  
         HB2   50  ALA   HN    3.40  
         HB2   54  ALA   QB    5.40  
         HB3   49  GLN   HG2   3.50  
         HB3   49  GLN   HG3   2.50  
         HB3   49  GLN   QE2   6.90  
         HB3   50  ALA   HN    4.60  
         HB3   54  ALA   HA    6.00  
         HB3   54  ALA   QB    4.70  
         HG2   49  GLN   QE2   5.30  
         HG2   54  ALA   QB    6.40  
         HG2   57  ASN   HB2   5.50  
         HG3   49  GLN   QE2   6.00  
         HG3   54  ALA   HA    4.80  
         HG3   54  ALA   QB    3.90  
 50 ALA  
         HN    50  ALA   HA    3.30  
         HN    50  ALA   QB    3.50  
         HN    51  GLY   HN    5.00  
         HA    50  ALA   QB    3.50  
         HA    51  GLY   HN    2.50  
         HA    51  GLY   HA1   4.70  
         HA    52  GLY   HN    3.90  
         QB    51  GLY   HN    3.90  
         QB    51  GLY   HA1   5.70  
         QB    51  GLY   HA2   5.10  
         QB    52  GLY   HN    5.80  
 51 GLY  
         HN    51  GLY   HA1   3.20  
         HN    51  GLY   HA2   3.00  
         HN    52  GLY   HN    3.20  
         HA1   52  GLY   HN    3.80  
         HA2   52  GLY   HN    3.80  
 52 GLY  
         HN    52  GLY   HA1   3.20  
         HN    52  GLY   HA2   3.10  
         HN    53  ASP-  HN    4.50  
         HA1   53  ASP-  HN    3.10  
         HA2   53  ASP-  HN    3.70  
         HA2   53  ASP-  HB3   5.10  
 53 ASP- 
         HN    53  ASP-  HA    5.00  
         HN    53  ASP-  HB3   3.20  
 54 ALA  
         HN    54  ALA   HA    3.90  
         HN    54  ALA   QB    3.50  
         HN    55  THR   HN    6.00  
         HN    55  THR   HA    4.40  
         HN    55  THR   HB    4.70  
         HN    55  THR   QG2   7.00  
         HA    54  ALA   QB    3.50  
         HA    55  THR   HN    4.90  
         HA    55  THR   HA    4.90  
         HA    56  ALA   HN    4.90  
         HA    57  ASN   HN    4.70  
         HA    57  ASN   HB2   3.20  
         HA    58  PHE   HN    4.10  
         QB    55  THR   HN    5.20  
         QB    55  THR   HA    5.60  
         QB    56  ALA   HN    6.10  
         QB    57  ASN   HN    5.00  
         QB    57  ASN   HB2   7.00  
         QB    58  PHE   HN    4.00  
         QB    201 HEM   QM3   3.70  
 55 THR  
         HN    55  THR   HA    3.70  
         HN    55  THR   HB    3.40  
         HN    55  THR   QG2   4.50  
         HN    56  ALA   HN    5.20  
         HN    57  ASN   HN    4.20  
         HA    55  THR   HB    3.30  
         HA    55  THR   QG2   3.60  
         HA    56  ALA   HN    4.20  
         HA    57  ASN   HN    6.00  
         HA    58  PHE   HN    4.10  
         HA    59  GLU-  HN    4.80  
         HB    55  THR   QG2   3.50  
         HB    56  ALA   HN    3.10  
         HB    56  ALA   QB    6.20  
         QG2   56  ALA   HN    4.70  
         QG2   56  ALA   HA    5.60  
         QG2   57  ASN   HN    7.00  
         QG2   58  PHE   QB    6.10  
         QG2   59  GLU-  HN    5.80  
         QG2   59  GLU-  HA    7.00  
         QG2   59  GLU-  HB2   5.90  
         QG2   59  GLU-  HB3   7.00  
         QG2   59  GLU-  HG3   4.30  
 56 ALA  
         HN    56  ALA   HA    3.00  
         HN    56  ALA   QB    3.50  
         HN    57  ASN   HN    3.50  
         HN    58  PHE   HN    4.40  
         HA    56  ALA   QB    3.50  
         HA    57  ASN   HN    3.70  
         HA    58  PHE   HN    4.90  
         HA    59  GLU-  HN    4.10  
         HA    59  GLU-  HA    5.70  
         HA    59  GLU-  HB2   5.30  
         HA    59  GLU-  HB3   4.70  
         HA    60  ALA   HN    5.20  
         QB    57  ASN   HN    3.50  
         QB    58  PHE   HN    7.00  
 57 ASN  
         HN    57  ASN   HA    3.10  
         HN    57  ASN   HB2   3.30  
         HN    57  ASN   HB3   3.60  
         HN    58  PHE   HN    3.20  
         HN    59  GLU-  HN    6.00  
         HN    60  ALA   QB    5.30  
         HA    57  ASN   HB2   3.20  
         HA    57  ASN   HB3   3.10  
         HA    57  ASN   HD21  4.60  
         HA    57  ASN   HD22  5.90  
         HA    58  PHE   HN    3.70  
         HA    59  GLU-  HN    6.00  
         HA    60  ALA   HN    4.10  
         HA    60  ALA   QB    3.50  
         HB2   57  ASN   HD21  3.90  
         HB2   57  ASN   HD22  4.30  
         HB2   58  PHE   HN    3.50  
         HB2   201 HEM   HV4T  5.10  
         HB3   57  ASN   HD21  4.00  
         HB3   57  ASN   HD22  4.50  
         HB3   58  PHE   HN    3.80  
 58 PHE  
         HN    58  PHE   QB    5.00  
         HN    59  GLU-  HN    3.10  
         HN    59  GLU-  HG2   4.30  
         HN    60  ALA   HN    4.60  
         QB    59  GLU-  HN    6.90  
         CG    58  PHE   CZ    8.30  
         CG    58  PHE   HZ    6.60  
         CZ    58  PHE   HZ    5.60  
         CZ    201 HEM   QM1   9.00  
 59 GLU- 
         HN    59  GLU-  HA    3.10  
         HN    59  GLU-  HB2   3.60  
         HN    59  GLU-  HB3   3.10  
         HN    59  GLU-  HG2   3.50  
         HN    59  GLU-  HG3   3.50  
         HN    60  ALA   HN    2.90  
         HN    60  ALA   HA    5.40  
         HN    60  ALA   QB    5.30  
         HN    61  VAL   HN    4.80  
         HA    59  GLU-  HB2   3.00  
         HA    59  GLU-  HB3   2.90  
         HA    59  GLU-  HG2   4.30  
         HA    59  GLU-  HG3   4.70  
         HA    60  ALA   HN    3.80  
         HA    61  VAL   HN    4.60  
         HA    62  GLY   HN    5.00  
         HA    63  HIS   HN    6.00  
         HB2   59  GLU-  HG2   3.00  
         HB2   59  GLU-  HG3   2.90  
         HB2   60  ALA   HN    3.90  
         HB3   59  GLU-  HG2   3.20  
         HB3   59  GLU-  HG3   3.30  
         HB3   60  ALA   HN    4.00  
         HG2   60  ALA   HN    6.00  
         HG3   60  ALA   HN    5.80  
 60 ALA  
         HN    60  ALA   HA    2.90  
         HN    60  ALA   QB    3.50  
         HN    61  VAL   HN    3.30  
         HA    60  ALA   QB    3.50  
         HA    61  VAL   HN    4.30  
         HA    62  GLY   HN    5.00  
         QB    61  VAL   HN    3.70  
 61 VAL  
         HN    61  VAL   HA    3.50  
         HN    62  GLY   HN    3.40  
         HA    201 HEM   HBP63 4.90  
 62 GLY  
         HN    62  GLY   HA1   3.70  
         HN    62  GLY   HA2   3.60  
         HN    63  HIS   HN    5.00  
         HA1   63  HIS   HN    4.80  
         HA2   63  HIS   HN    5.60  
 63 HIS  
         HN    63  HIS   HA    6.00  
         HN    63  HIS   HB2   6.00  
         HA    64  SER   HN    4.10  
 64 SER  
         HN    64  SER   HA    3.50  
         HN    64  SER   HB2   3.80  
         HN    64  SER   HB3   3.60  
         HN    65  THR   HN    6.00  
         HN    67  ALA   HN    6.00  
         HN    67  ALA   QB    7.00  
         HA    64  SER   HB2   3.30  
         HA    64  SER   HB3   3.20  
         HA    65  THR   HN    3.90  
         HA    65  THR   HA    4.80  
         HB2   65  THR   HN    4.60  
         HB2   67  ALA   HN    6.00  
         HB3   65  THR   HN    5.00  
         HB3   67  ALA   HN    6.00  
 65 THR  
         HN    65  THR   HA    3.10  
         HN    65  THR   HB    4.00  
         HN    66  ASP-  HN    3.70  
         HN    67  ALA   HN    4.30  
         HA    65  THR   HB    3.20  
         HA    66  ASP-  HN    3.80  
         HA    67  ALA   HN    4.70  
         HA    68  ARG+  HN    3.40  
         HA    68  ARG+  HB3   3.60  
         HA    68  ARG+  HG2   4.80  
         HA    68  ARG+  HG3   6.00  
         HA    68  ARG+  HD2   5.80  
         HA    68  ARG+  HD3   4.10  
         HA    69  GLU-  HN    4.10  
         HB    66  ASP-  HN    3.60  
         HB    69  GLU-  HN    5.40  
 66 ASP- 
         HN    66  ASP-  HA    3.00  
         HN    66  ASP-  HB2   3.10  
         HN    66  ASP-  HB3   3.30  
         HA    66  ASP-  HB2   2.80  
         HA    66  ASP-  HB3   3.10  
         HA    67  ALA   HN    3.80  
         HA    69  GLU-  HN    3.60  
         HA    69  GLU-  HB2   4.00  
         HA    69  GLU-  HB3   4.10  
         HA    70  LEU   HN    5.10  
         HB2   67  ALA   HN    3.30  
         HB2   67  ALA   HA    6.00  
         HB3   67  ALA   HN    3.40  
 67 ALA  
         HN    67  ALA   HA    4.50  
         HN    67  ALA   QB    4.30  
         HN    68  ARG+  HN    3.40  
         HN    69  GLU-  HN    4.00  
         HN    70  LEU   HB3   5.30  
         HA    67  ALA   QB    4.60  
         HA    68  ARG+  HN    4.60  
         HA    69  GLU-  HN    6.00  
         HA    70  LEU   HN    4.00  
         HA    70  LEU   HB2   3.70  
         HA    70  LEU   HB3   3.70  
         HA    70  LEU   QD2   4.90  
         HA    71  SER   HN    4.60  
         HA    201 HEM   QM8   4.10  
         HA    201 HEM   QM1   6.50  
         QB    68  ARG+  HN    4.30  
         QB    201 HEM   QM8   6.20  
 68 ARG+ 
         HN    68  ARG+  HA    4.00  
         HN    68  ARG+  HB2   3.10  
         HN    68  ARG+  HB3   3.60  
         HN    68  ARG+  HG2   4.70  
         HN    68  ARG+  HG3   5.10  
         HN    68  ARG+  HD2   3.70  
         HN    68  ARG+  HD3   4.70  
         HN    69  GLU-  HN    3.10  
         HN    69  GLU-  HB2   4.50  
         HN    70  LEU   HN    5.40  
         HA    68  ARG+  HB2   3.70  
         HA    68  ARG+  HB3   3.80  
         HA    68  ARG+  HG3   4.60  
         HA    68  ARG+  HD2   4.50  
         HA    69  GLU-  HN    4.20  
         HA    71  SER   HN    6.00  
         HA    71  SER   QB    7.00  
         HB2   68  ARG+  HG2   4.00  
         HB2   68  ARG+  HD2   3.50  
         HB2   68  ARG+  HD3   4.30  
         HB2   69  GLU-  HN    4.30  
         HB3   68  ARG+  HG2   4.30  
         HB3   68  ARG+  HD2   4.10  
         HB3   68  ARG+  HD3   3.90  
         HB3   69  GLU-  HN    4.00  
         HG2   68  ARG+  HD2   4.10  
         HG2   68  ARG+  HD3   2.70  
         HG3   68  ARG+  HD2   2.90  
         HG3   68  ARG+  HD3   4.30  
         HG3   69  GLU-  HN    6.00  
 69 GLU- 
         HN    69  GLU-  HA    3.00  
         HN    69  GLU-  HB2   3.00  
         HN    69  GLU-  HB3   3.50  
         HN    69  GLU-  HG2   3.60  
         HN    69  GLU-  HG3   3.80  
         HN    70  LEU   HN    3.00  
         HN    70  LEU   HA    5.00  
         HN    70  LEU   HB2   4.60  
         HN    70  LEU   HB3   4.40  
         HN    71  SER   HN    5.60  
         HA    69  GLU-  HB2   2.90  
         HA    69  GLU-  HB3   2.80  
         HA    69  GLU-  HG2   3.50  
         HA    69  GLU-  HG3   3.70  
         HA    70  LEU   HN    3.90  
         HA    71  SER   HN    6.00  
         HA    72  LYS+  HN    4.50  
         HB2   69  GLU-  HG2   2.80  
         HB2   69  GLU-  HG3   2.90  
         HB2   70  LEU   HN    3.10  
         HB2   70  LEU   HB2   5.20  
         HB3   69  GLU-  HG2   3.10  
         HB3   69  GLU-  HG3   3.00  
         HB3   70  LEU   HN    3.50  
 70 LEU  
         HN    70  LEU   HA    3.00  
         HN    70  LEU   HB2   2.90  
         HN    70  LEU   HB3   3.30  
         HN    70  LEU   HG    4.50  
         HN    70  LEU   QD1   5.30  
         HN    70  LEU   QD2   5.30  
         HN    71  SER   HN    3.10  
         HN    72  LYS+  HN    6.00  
         HN    201 HEM   QM1   6.70  
         HA    70  LEU   HB2   2.70  
         HA    70  LEU   HB3   3.00  
         HA    70  LEU   HG    4.10  
         HA    70  LEU   QD1   3.90  
         HA    70  LEU   QD2   4.50  
         HA    71  SER   HN    4.00  
         HA    72  LYS+  HN    4.70  
         HA    73  THR   HN    5.00  
         HA    201 HEM   QM1   5.20  
         HB2   70  LEU   HG    3.60  
         HB2   70  LEU   QD1   4.00  
         HB2   70  LEU   QD2   3.60  
         HB2   71  SER   HN    4.00  
         HB2   74  PHE   CZ    8.00  
         HB2   201 HEM   QM1   7.00  
         HB3   70  LEU   HG    3.40  
         HB3   70  LEU   QD1   3.50  
         HB3   70  LEU   QD2   3.60  
         HB3   71  SER   HN    3.60  
         HB3   74  PHE   CG    8.00  
         HB3   74  PHE   CZ    8.00  
         HB3   201 HEM   QM1   4.30  
         HG    70  LEU   QD1   3.70  
         HG    70  LEU   QD2   3.50  
         HG    71  SER   HN    4.80  
         HG    74  PHE   CG    7.20  
         HG    74  PHE   CZ    5.60  
         HG    201 HEM   QM1   5.50  
         QD1   71  SER   HN    4.30  
         QD1   73  THR   HN    5.30  
         QD1   73  THR   HB    7.00  
         QD1   74  PHE   CZ    6.80  
         QD1   74  PHE   HZ    5.50  
         QD1   201 HEM   QM1   6.50  
         QD2   71  SER   HN    6.90  
         QD2   71  SER   HA    7.00  
         QD2   74  PHE   CZ    6.80  
         QD2   74  PHE   HZ    7.00  
         QD2   201 HEM   QM8   5.30  
         QD2   201 HEM   QM1   4.80  
 71 SER  
         HN    71  SER   HA    3.50  
         HN    71  SER   QB    4.50  
         HN    72  LYS+  HN    3.60  
         HN    72  LYS+  HG2   5.30  
         HN    74  PHE   CG    8.00  
         HN    201 HEM   QM1   4.50  
         HA    71  SER   QB    3.80  
         HA    72  LYS+  HN    3.70  
         HA    74  PHE   HN    5.00  
         HA    74  PHE   QB    7.00  
         HA    74  PHE   CG    5.40  
         HA    74  PHE   CZ    6.20  
         HA    201 HEM   QM1   3.50  
         HA    201 HEM   HV2A  4.00  
         QB    72  LYS+  HN    6.30  
         QB    201 HEM   QM1   5.60  
         QB    201 HEM   HV2A  5.80  
         QB    201 HEM   HV2T  4.80  
         QB    201 HEM   HV2C  7.00  
 72 LYS+ 
         HN    72  LYS+  HA    3.20  
         HN    72  LYS+  QB    3.60  
         HN    72  LYS+  HG2   3.60  
         HN    72  LYS+  HG3   3.10  
         HN    73  THR   HN    3.10  
         HN    201 HEM   QM1   7.00  
         HA    72  LYS+  QB    4.20  
         HA    72  LYS+  HG2   3.20  
         HA    72  LYS+  HG3   3.70  
         HA    73  THR   HN    4.40  
         HA    74  PHE   HN    4.40  
         HA    75  ILE   HN    4.40  
         HA    75  ILE   HB    4.80  
         HA    75  ILE   QG2   5.80  
         HA    75  ILE   HG13  3.00  
         HA    75  ILE   QD1   6.70  
         QB    72  LYS+  HG2   4.70  
         QB    72  LYS+  HG3   3.70  
         QB    73  THR   HN    5.30  
 73 THR  
         HN    73  THR   HA    3.00  
         HN    73  THR   HB    3.30  
         HN    73  THR   QG2   5.70  
         HN    74  PHE   HN    3.00  
         HN    74  PHE   CG    6.80  
         HN    74  PHE   CZ    8.00  
         HN    75  ILE   HN    3.90  
         HA    73  THR   HB    3.30  
         HA    73  THR   QG2   3.50  
         HA    74  PHE   HN    3.40  
         HA    75  ILE   HN    5.60  
         HB    73  THR   QG2   3.50  
         HB    74  PHE   HN    4.20  
         HB    74  PHE   CG    6.20  
         QG2   74  PHE   HN    6.80  
         QG2   74  PHE   CG    7.10  
         QG2   74  PHE   CZ    7.20  
         QG2   74  PHE   HZ    6.00  
 74 PHE  
         HN    74  PHE   HA    5.50  
         HN    74  PHE   QB    4.90  
         HN    74  PHE   CG    5.80  
         HN    75  ILE   HN    2.90  
         HN    75  ILE   HA    5.30  
         HN    75  ILE   HB    4.70  
         HN    75  ILE   HG12  5.30  
         HN    75  ILE   QD1   7.00  
         HA    74  PHE   QB    6.70  
         QB    74  PHE   CG    7.20  
         QB    75  ILE   HN    4.90  
         QB    201 HEM   QM1   5.30  
         QB    201 HEM   HV2T  6.10  
         CG    74  PHE   CZ    7.20  
         CG    74  PHE   HZ    6.00  
         CG    201 HEM   QM1   7.40  
         CG    201 HEM   HV2A  7.10  
         CG    201 HEM   HV2C  8.00  
         CZ    74  PHE   HZ    4.90  
         CZ    201 HEM   QM1   6.10  
         HZ    201 HEM   QM1   6.60  
 75 ILE  
         HN    75  ILE   HA    3.40  
         HN    75  ILE   HB    2.50  
         HN    75  ILE   QG2   3.90  
         HN    75  ILE   HG12  4.60  
         HN    75  ILE   HG13  4.70  
         HN    75  ILE   QD1   5.30  
         HN    76  ILE   HN    5.10  
         HA    75  ILE   HB    3.30  
         HA    75  ILE   QG2   3.80  
         HA    75  ILE   HG12  3.70  
         HA    75  ILE   HG13  4.00  
         HA    75  ILE   QD1   4.30  
         HA    76  ILE   HN    2.70  
         HA    76  ILE   HA    5.70  
         HA    76  ILE   QG2   7.00  
         HA    76  ILE   HG12  4.50  
         HA    76  ILE   HG13  4.00  
         HA    76  ILE   QD1   6.70  
         HA    77  GLY   HN    4.20  
         HB    75  ILE   QG2   3.50  
         HB    75  ILE   HG12  3.60  
         HB    75  ILE   HG13  2.60  
         HB    75  ILE   QD1   4.80  
         HB    76  ILE   HN    4.50  
         QG2   75  ILE   HG12  3.50  
         QG2   75  ILE   QD1   4.90  
         QG2   76  ILE   HN    4.30  
         QG2   77  GLY   HN    6.60  
         HG12  75  ILE   QD1   3.50  
         HG12  76  ILE   HN    4.30  
         HG12  77  GLY   HN    4.50  
         HG13  75  ILE   QD1   3.50  
         HG13  76  ILE   HN    4.70  
         HG13  77  GLY   HN    5.00  
         QD1   76  ILE   HN    6.10  
         QD1   77  GLY   HN    5.40  
         QD1   77  GLY   HA1   7.00  
         QD1   77  GLY   HA2   4.90  
 76 ILE  
         HN    76  ILE   HA    3.70  
         HN    76  ILE   HB    3.70  
         HN    76  ILE   QG2   4.60  
         HN    76  ILE   HG12  3.40  
         HN    76  ILE   HG13  3.40  
         HN    76  ILE   QD1   4.40  
         HN    77  GLY   HN    2.80  
         HA    76  ILE   HB    3.00  
         HA    76  ILE   QG2   3.50  
         HA    76  ILE   HG12  4.70  
         HA    76  ILE   HG13  4.60  
         HA    76  ILE   QD1   5.10  
         HA    77  GLY   HN    4.30  
         HB    76  ILE   QG2   3.50  
         HB    76  ILE   HG12  3.70  
         HB    76  ILE   HG13  3.90  
         HB    76  ILE   QD1   3.50  
         HB    77  GLY   HN    4.10  
         QG2   76  ILE   HG12  3.90  
         QG2   76  ILE   HG13  4.10  
         QG2   76  ILE   QD1   4.50  
         QG2   77  GLY   HN    6.30  
         HG12  76  ILE   QD1   3.50  
         HG12  77  GLY   HN    4.00  
         HG13  76  ILE   QD1   3.50  
         HG13  77  GLY   HN    3.80  
         QD1   77  GLY   HN    5.50  
 77 GLY  
         HN    77  GLY   HA1   3.70  
         HN    77  GLY   HA2   3.70  
         HN    78  GLU-  HN    4.20  
         HA1   78  GLU-  HN    3.00  
         HA1   78  GLU-  HB3   4.70  
         HA2   78  GLU-  HN    3.10  
 78 GLU- 
         HN    78  GLU-  HA    3.60  
         HN    78  GLU-  HB2   3.30  
         HN    78  GLU-  HB3   3.70  
         HN    78  GLU-  QG    5.90  
         HA    78  GLU-  HB2   3.60  
         HA    78  GLU-  HB3   3.60  
         HA    78  GLU-  QG    4.50  
         HA    79  LEU   HN    3.10  
         HB2   78  GLU-  QG    5.20  
         HB2   79  LEU   HN    3.80  
         HB3   78  GLU-  QG    4.60  
         HB3   79  LEU   HN    3.60  
         QG    79  LEU   HN    5.10  
 79 LEU  
         HN    79  LEU   HA    3.60  
         HN    79  LEU   QB    4.20  
         HN    79  LEU   HG    5.30  
         HN    79  LEU   QD1   5.40  
         HN    79  LEU   QD2   5.00  
         HN    80  HIS   HN    4.60  
         HN    84  ARG+  HE    6.00  
         HA    79  LEU   QB    4.90  
         HA    79  LEU   HG    5.00  
         HA    79  LEU   QD1   3.70  
         HA    79  LEU   QD2   4.90  
         HA    80  HIS   HN    2.90  
         HA    80  HIS   HB2   5.00  
         HA    80  HIS   HB3   5.30  
         QB    79  LEU   QD1   5.30  
         QB    79  LEU   QD2   5.30  
         QB    80  HIS   HN    5.50  
         HG    79  LEU   QD1   3.50  
         HG    79  LEU   QD2   3.50  
         HG    80  HIS   HN    4.50  
         HG    83  ASP-  HN    4.50  
         HG    83  ASP-  HB3   3.80  
         HG    84  ARG+  HN    5.90  
         HG    84  ARG+  HE    5.80  
         QD1   80  HIS   HN    3.90  
         QD1   83  ASP-  HN    5.40  
         QD1   83  ASP-  HA    5.70  
         QD1   83  ASP-  HB2   4.80  
         QD2   80  HIS   HN    5.20  
         QD2   83  ASP-  HN    5.30  
         QD2   83  ASP-  HA    6.00  
         QD2   83  ASP-  HB2   7.00  
         QD2   83  ASP-  HB3   4.10  
         QD2   84  ARG+  HA    4.10  
         QD2   84  ARG+  HE    5.20  
 80 HIS  
         HN    80  HIS   HA    3.10  
         HN    80  HIS   HB2   3.10  
         HN    80  HIS   HB3   3.50  
         HN    80  HIS   HD2   5.30  
         HA    80  HIS   HB2   3.70  
         HA    80  HIS   HB3   3.90  
         HA    80  HIS   HD2   4.10  
         HA    81  PRO   QG    4.40  
         HA    82  ASP-  HN    5.30  
         HA    83  ASP-  HB3   5.70  
         HA    84  ARG+  HE    6.00  
         HB2   80  HIS   HD2   3.80  
         HB2   82  ASP-  HN    4.20  
         HB3   80  HIS   HD2   4.20  
         HB3   82  ASP-  HN    4.20  
         HB3   83  ASP-  HN    3.50  
         HD2   80  HIS   HE1   4.80  
         HE1   81  PRO   QG    5.50  
         HE1   82  ASP-  HN    4.00  
         HE1   82  ASP-  HA    5.30  
         HE1   82  ASP-  HB2   4.00  
         HE1   82  ASP-  HB3   3.70  
         HE1   83  ASP-  HN    6.00  
 81 PRO  
         HA    81  PRO   HB2   2.60  
         HA    81  PRO   HB3   2.70  
         HA    81  PRO   QG    4.80  
         HA    82  ASP-  HN    4.10  
         HA    83  ASP-  HN    4.20  
         HA    84  ARG+  HN    4.10  
         HA    84  ARG+  HB3   4.30  
         HA    84  ARG+  HE    3.80  
         HB2   81  PRO   QG    3.90  
         HB2   82  ASP-  HN    4.90  
         HB2   84  ARG+  HE    3.90  
         HB3   81  PRO   QG    5.20  
         HB3   82  ASP-  HN    3.80  
         HB3   82  ASP-  HA    4.50  
         QG    82  ASP-  HN    5.50  
         QG    82  ASP-  HB3   7.00  
 82 ASP- 
         HN    82  ASP-  HA    3.10  
         HN    82  ASP-  HB2   3.10  
         HN    82  ASP-  HB3   3.70  
         HN    83  ASP-  HN    3.00  
         HN    83  ASP-  HA    6.00  
         HN    83  ASP-  HB2   5.30  
         HN    84  ARG+  HN    4.40  
         HA    82  ASP-  HB2   3.10  
         HA    82  ASP-  HB3   3.10  
         HA    83  ASP-  HN    3.60  
         HA    84  ARG+  HN    5.30  
         HB2   83  ASP-  HN    3.70  
 83 ASP- 
         HN    83  ASP-  HA    3.50  
         HN    83  ASP-  HB2   3.40  
         HN    83  ASP-  HB3   2.90  
         HN    84  ARG+  HN    2.80  
         HN    84  ARG+  HB3   4.30  
         HA    83  ASP-  HB2   2.90  
         HA    83  ASP-  HB3   3.00  
         HA    84  ARG+  HN    4.00  
         HB2   84  ARG+  HN    4.30  
         HB3   84  ARG+  HN    3.30  
         HB3   84  ARG+  HE    4.20  
 84 ARG+ 
         HN    84  ARG+  HA    3.30  
         HN    84  ARG+  HB2   3.60  
         HN    84  ARG+  HB3   3.90  
         HN    84  ARG+  HE    5.20  
         HA    84  ARG+  HB2   2.90  
         HA    84  ARG+  HB3   3.30  
         HA    84  ARG+  HE    5.40  
         HB2   84  ARG+  HE    4.90  
         HB3   84  ARG+  HE    4.80  
117 HEM  
         HAP71 201 HEM   HAP72 2.50  
         HAP71 201 HEM   HBP73 3.00  
         HAP71 201 HEM   HBP74 2.50  
         HAP71 201 HEM   QM8   4.20  
         HAP71 201 HEM   HGM   3.20  
         HAP72 201 HEM   HBP73 3.10  
         HAP72 201 HEM   HBP74 2.50  
         HAP72 201 HEM   QM8   3.50  
         HAP72 201 HEM   HGM   4.20  
         HBP73 201 HEM   HBP74 2.50  
         HBP73 201 HEM   HGM   4.10  
         HBP74 201 HEM   HGM   3.30  
         QM8   201 HEM   HDM   3.60  
         QM8   201 HEM   QM1   5.40  
         HDM   201 HEM   QM1   3.50  
         QM1   201 HEM   HV2A  4.30  
         QM1   201 HEM   HV2T  5.40  
         QM1   201 HEM   HV2C  4.20  
         HV2A  201 HEM   HV2T  2.90  
         HV2A  201 HEM   HV2C  3.00  
         HV2A  201 HEM   HAM   3.20  
         HV2T  201 HEM   HV2C  2.50  
         HV2C  201 HEM   HAM   3.30  
         HAM   201 HEM   QM3   3.50  
         QM3   201 HEM   HV4A  4.20  
         QM3   201 HEM   HV4T  3.80  
         HBM   201 HEM   QM5   3.60  
         QM5   201 HEM   HAP61 3.50  
         QM5   201 HEM   HAP62 4.60  
         QM5   201 HEM   HBP63 4.40  
         QM5   201 HEM   HBP64 4.80  
         HGM   201 HEM   HAP61 3.80  
         HGM   201 HEM   HAP62 3.50  
         HGM   201 HEM   HBP64 4.40  
         HAP61 201 HEM   HBP63 2.90  
         HAP61 201 HEM   HBP64 2.70  
         HAP62 201 HEM   HBP63 2.80  
         HAP62 201 HEM   HBP64 2.60  
         HBP63 201 HEM   HBP64 2.50  





  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    ALA   3           H1       ALA   3  -1.354  -9.845 -19.787
    2   2H    ALA   3           H2       ALA   3  -2.612 -10.065 -20.864
    3   3H    ALA   3           H3       ALA   3  -1.431  -8.925 -21.144
    4    HA   ALA   3           HA       ALA   3  -3.537  -8.934 -19.132
    5   1HB   ALA   3           HB1      ALA   3  -2.507  -6.589 -20.784
    6   2HB   ALA   3           HB2      ALA   3  -3.813  -7.668 -21.331
    7   3HB   ALA   3           HB3      ALA   3  -4.021  -6.712 -19.858
    8    H    VAL   4           H        VAL   4  -2.747  -6.221 -18.188
    9    HA   VAL   4           HA       VAL   4  -0.478  -6.822 -16.443
   10    HB   VAL   4           HB       VAL   4  -1.678  -5.285 -14.889
   11   1HG1  VAL   4          HG11      VAL   4  -0.577  -3.570 -15.812
   12   2HG1  VAL   4          HG12      VAL   4  -0.230  -4.615 -17.200
   13   3HG1  VAL   4          HG13      VAL   4  -1.625  -3.526 -17.236
   14   1HG2  VAL   4          HG21      VAL   4  -3.998  -5.747 -15.791
   15   2HG2  VAL   4          HG22      VAL   4  -3.616  -4.043 -15.515
   16   3HG2  VAL   4          HG23      VAL   4  -3.622  -4.692 -17.163
   17    H    LYS   5           H        LYS   5  -0.777  -7.828 -14.299
   18    HA   LYS   5           HA       LYS   5  -3.049  -9.778 -14.312
   19   1HB   LYS   5           HB2      LYS   5  -0.893 -10.839 -14.470
   20   2HB   LYS   5           HB3      LYS   5  -0.332 -10.028 -12.991
   21   1HG   LYS   5           HG2      LYS   5  -1.991 -11.155 -11.647
   22   2HG   LYS   5           HG3      LYS   5  -2.863 -11.725 -13.081
   23   1HD   LYS   5           HD2      LYS   5  -0.864 -13.150 -13.686
   24   2HD   LYS   5           HD3      LYS   5  -0.056 -12.559 -12.230
   25   1HE   LYS   5           HE2      LYS   5  -0.963 -14.690 -11.629
   26   2HE   LYS   5           HE3      LYS   5  -1.981 -13.472 -10.851
   27   1HZ   LYS   5           HZ1      LYS   5  -3.373 -15.074 -11.805
   28   2HZ   LYS   5           HZ2      LYS   5  -3.507 -13.767 -12.786
   29   3HZ   LYS   5           HZ3      LYS   5  -2.598 -15.058 -13.253
   30    H    TYR   6           H        TYR   6  -4.570  -8.500 -13.411
   31    HA   TYR   6           HA       TYR   6  -4.246  -6.851 -11.126
   32   1HB   TYR   6           HB2      TYR   6  -6.755  -8.366 -11.869
   33   2HB   TYR   6           HB3      TYR   6  -6.584  -6.795 -11.060
   34    HD1  TYR   6           HD1      TYR   6  -6.867  -8.526 -14.273
   35    HD2  TYR   6           HD2      TYR   6  -5.939  -4.817 -12.343
   36    HE1  TYR   6           HE1      TYR   6  -7.072  -7.360 -16.443
   37    HE2  TYR   6           HE2      TYR   6  -6.168  -3.612 -14.526
   38    HH   TYR   6           HH       TYR   6  -6.758  -5.377 -17.574
   39    H    TYR   7           H        TYR   7  -5.129  -7.258  -8.939
   40    HA   TYR   7           HA       TYR   7  -4.899 -10.118  -8.078
   41   1HB   TYR   7           HB2      TYR   7  -3.981  -7.712  -6.501
   42   2HB   TYR   7           HB3      TYR   7  -3.770  -9.414  -6.105
   43    HD1  TYR   7           HD1      TYR   7  -2.496  -6.547  -7.974
   44    HD2  TYR   7           HD2      TYR   7  -2.117 -10.795  -7.391
   45    HE1  TYR   7           HE1      TYR   7  -0.370  -6.534  -9.254
   46    HE2  TYR   7           HE2      TYR   7   0.044 -10.769  -8.603
   47    HH   TYR   7           HH       TYR   7   1.593  -9.482  -9.723
   48    H    THR   8           H        THR   8  -6.479 -10.818  -6.682
   49    HA   THR   8           HA       THR   8  -8.941  -9.261  -6.500
   50    HB   THR   8           HB       THR   8  -9.752 -11.316  -5.347
   51    HG1  THR   8           HG1      THR   8  -8.066 -13.086  -5.366
   52   1HG2  THR   8          HG21      THR   8  -9.176 -12.995  -7.237
   53   2HG2  THR   8          HG22      THR   8 -10.016 -11.501  -7.663
   54   3HG2  THR   8          HG23      THR   8  -8.279 -11.669  -7.989
   55    H    LEU   9           H        LEU   9  -9.956  -8.648  -4.452
   56    HA   LEU   9           HA       LEU   9  -8.303  -7.488  -2.579
   57   1HB   LEU   9           HB2      LEU   9 -11.076  -7.841  -2.910
   58   2HB   LEU   9           HB3      LEU   9 -10.771  -8.602  -1.415
   59    HG   LEU   9           HG       LEU   9  -9.957  -5.747  -2.112
   60   1HD1  LEU   9          HD11      LEU   9 -12.103  -6.800  -0.226
   61   2HD1  LEU   9          HD12      LEU   9 -11.653  -5.094  -0.435
   62   3HD1  LEU   9          HD13      LEU   9 -12.375  -5.987  -1.781
   63   1HD2  LEU   9          HD21      LEU   9  -9.385  -5.487   0.286
   64   2HD2  LEU   9          HD22      LEU   9  -9.676  -7.217   0.549
   65   3HD2  LEU   9          HD23      LEU   9  -8.334  -6.674  -0.480
   66    H    GLU  10           H        GLU  10  -9.619 -10.807  -2.652
   67    HA   GLU  10           HA       GLU  10  -8.703 -11.733  -0.187
   68   1HB   GLU  10           HB2      GLU  10 -10.228 -12.893  -1.849
   69   2HB   GLU  10           HB3      GLU  10  -8.781 -13.407  -2.710
   70   1HG   GLU  10           HG2      GLU  10  -9.438 -15.187  -1.208
   71   2HG   GLU  10           HG3      GLU  10  -7.941 -14.478  -0.597
   72    H    GLU  11           H        GLU  11  -7.073 -12.169  -3.376
   73    HA   GLU  11           HA       GLU  11  -4.712 -13.281  -2.325
   74   1HB   GLU  11           HB2      GLU  11  -5.537 -12.207  -4.919
   75   2HB   GLU  11           HB3      GLU  11  -3.900 -11.696  -4.562
   76   1HG   GLU  11           HG2      GLU  11  -3.949 -13.845  -5.769
   77   2HG   GLU  11           HG3      GLU  11  -3.218 -14.021  -4.166
   78    H    ILE  12           H        ILE  12  -5.466  -9.829  -2.882
   79    HA   ILE  12           HA       ILE  12  -2.955  -8.859  -1.946
   80    HB   ILE  12           HB       ILE  12  -5.691  -7.546  -1.935
   81   1HG1  ILE  12          HG12      ILE  12  -3.491  -7.148  -4.002
   82   2HG1  ILE  12          HG13      ILE  12  -4.688  -8.410  -4.202
   83   1HG2  ILE  12          HG21      ILE  12  -3.664  -5.595  -2.344
   84   2HG2  ILE  12          HG22      ILE  12  -4.691  -5.794  -0.925
   85   3HG2  ILE  12          HG23      ILE  12  -3.101  -6.572  -0.991
   86   1HD1  ILE  12          HD11      ILE  12  -6.525  -6.785  -4.064
   87   2HD1  ILE  12          HD12      ILE  12  -5.337  -5.476  -3.886
   88   3HD1  ILE  12          HD13      ILE  12  -5.422  -6.406  -5.381
   89    H    GLN  13           H        GLN  13  -6.009  -9.595  -0.243
   90    HA   GLN  13           HA       GLN  13  -5.341  -8.840   2.392
   91   1HB   GLN  13           HB2      GLN  13  -7.397 -10.507   1.085
   92   2HB   GLN  13           HB3      GLN  13  -6.992 -11.060   2.678
   93   1HG   GLN  13           HG2      GLN  13  -7.525  -8.108   2.291
   94   2HG   GLN  13           HG3      GLN  13  -8.868  -9.250   2.225
   95   1HE2  GLN  13          HE21      GLN  13  -9.903  -8.804   4.183
   96   2HE2  GLN  13          HE22      GLN  13  -9.119  -9.063   5.732
   97    H    LYS  14           H        LYS  14  -4.492 -11.842   0.590
   98    HA   LYS  14           HA       LYS  14  -3.528 -13.182   2.921
   99   1HB   LYS  14           HB2      LYS  14  -2.663 -13.472   0.008
  100   2HB   LYS  14           HB3      LYS  14  -2.114 -14.474   1.351
  101   1HG   LYS  14           HG2      LYS  14  -4.622 -14.856   1.869
  102   2HG   LYS  14           HG3      LYS  14  -4.940 -14.222   0.253
  103   1HD   LYS  14           HD2      LYS  14  -3.907 -16.022  -0.819
  104   2HD   LYS  14           HD3      LYS  14  -2.904 -16.447   0.588
  105   1HE   LYS  14           HE2      LYS  14  -4.837 -17.256   1.839
  106   2HE   LYS  14           HE3      LYS  14  -5.944 -16.693   0.574
  107   1HZ   LYS  14           HZ1      LYS  14  -4.824 -18.271  -0.921
  108   2HZ   LYS  14           HZ2      LYS  14  -4.005 -18.894   0.373
  109   3HZ   LYS  14           HZ3      LYS  14  -5.647 -18.979   0.316
  110    H    HIS  15           H        HIS  15  -2.239 -10.349   1.385
  111    HA   HIS  15           HA       HIS  15   0.477 -10.851   2.494
  112   1HB   HIS  15           HB2      HIS  15  -0.564  -8.728   0.603
  113   2HB   HIS  15           HB3      HIS  15   1.078  -8.832   1.214
  114    HD1  HIS  15           HD1      HIS  15   2.355  -9.340  -0.939
  115    HD2  HIS  15           HD2      HIS  15  -0.948 -11.866  -0.310
  116    HE1  HIS  15           HE1      HIS  15   2.430 -11.133  -2.758
  117    H    ASN  16           H        ASN  16  -0.427 -10.666   4.721
  118    HA   ASN  16           HA       ASN  16  -0.119  -7.956   5.759
  119   1HB   ASN  16           HB2      ASN  16  -2.312  -7.883   6.874
  120   2HB   ASN  16           HB3      ASN  16  -2.442  -7.812   5.115
  121   1HD2  ASN  16          HD21      ASN  16  -4.714  -8.315   6.011
  122   2HD2  ASN  16          HD22      ASN  16  -5.139  -9.972   5.708
  123    H    ASN  17           H        ASN  17   1.670  -9.414   6.519
  124    HA   ASN  17           HA       ASN  17   0.851 -10.636   9.156
  125   1HB   ASN  17           HB2      ASN  17   1.743 -12.140   6.924
  126   2HB   ASN  17           HB3      ASN  17   3.126 -12.059   8.012
  127   1HD2  ASN  17          HD21      ASN  17  -0.322 -12.998   7.775
  128   2HD2  ASN  17          HD22      ASN  17  -0.241 -14.139   9.103
  129    H    SER  18           H        SER  18   3.864  -9.920   7.393
  130    HA   SER  18           HA       SER  18   4.797  -8.198   9.618
  131   1HB   SER  18           HB2      SER  18   5.542 -10.335  10.379
  132   2HB   SER  18           HB3      SER  18   6.130 -10.813   8.787
  133    HG   SER  18           HG       SER  18   7.580  -9.862  10.587
  134    H    LYS  19           H        LYS  19   6.107  -9.884   6.725
  135    HA   LYS  19           HA       LYS  19   7.215  -7.304   5.772
  136   1HB   LYS  19           HB2      LYS  19   7.661 -10.196   4.902
  137   2HB   LYS  19           HB3      LYS  19   8.226  -8.785   4.006
  138   1HG   LYS  19           HG2      LYS  19  10.089  -9.177   5.239
  139   2HG   LYS  19           HG3      LYS  19   9.274  -8.001   6.268
  140   1HD   LYS  19           HD2      LYS  19   8.276 -10.148   7.478
  141   2HD   LYS  19           HD3      LYS  19   9.481 -11.028   6.550
  142   1HE   LYS  19           HE2      LYS  19  10.493 -10.630   8.636
  143   2HE   LYS  19           HE3      LYS  19  11.245  -9.438   7.571
  144   1HZ   LYS  19           HZ1      LYS  19   8.839  -8.608   9.006
  145   2HZ   LYS  19           HZ2      LYS  19  10.167  -8.880   9.918
  146   3HZ   LYS  19           HZ3      LYS  19  10.249  -7.764   8.723
  147    H    SER  20           H        SER  20   5.394 -10.034   4.290
  148    HA   SER  20           HA       SER  20   4.750  -8.705   1.966
  149   1HB   SER  20           HB2      SER  20   4.230 -11.206   2.882
  150   2HB   SER  20           HB3      SER  20   2.615 -10.504   3.028
  151    HG   SER  20           HG       SER  20   2.984 -11.376   0.944
  152    H    THR  21           H        THR  21   3.953  -6.696   1.867
  153    HA   THR  21           HA       THR  21   1.461  -6.000   3.335
  154    HB   THR  21           HB       THR  21   4.133  -4.589   3.415
  155    HG1  THR  21           HG1      THR  21   2.279  -5.688   5.219
  156   1HG2  THR  21          HG21      THR  21   2.659  -2.810   4.734
  157   2HG2  THR  21          HG22      THR  21   2.901  -2.681   2.990
  158   3HG2  THR  21          HG23      THR  21   1.393  -3.350   3.617
  159    H    TRP  22           H        TRP  22   0.274  -6.211   1.557
  160    HA   TRP  22           HA       TRP  22   0.711  -4.263  -0.672
  161   1HB   TRP  22           HB2      TRP  22  -0.792  -6.905  -0.525
  162   2HB   TRP  22           HB3      TRP  22  -0.934  -5.755  -1.837
  163    HD1  TRP  22           HD1      TRP  22   2.651  -6.045  -0.846
  164    HE1  TRP  22           HE1      TRP  22   3.905  -7.276  -2.632
  165    HE3  TRP  22           HE3      TRP  22  -1.353  -7.967  -3.332
  166    HZ2  TRP  22           HZ2      TRP  22   3.243  -8.953  -4.962
  167    HZ3  TRP  22           HZ3      TRP  22  -1.046  -9.481  -5.221
  168    HH2  TRP  22           HH2      TRP  22   1.260  -9.907  -6.142
  169    H    LEU  23           H        LEU  23  -1.547  -3.594  -1.518
  170    HA   LEU  23           HA       LEU  23  -3.773  -3.508   0.148
  171   1HB   LEU  23           HB2      LEU  23  -3.489  -1.025   0.861
  172   2HB   LEU  23           HB3      LEU  23  -2.719  -2.278   1.796
  173    HG   LEU  23           HG       LEU  23  -0.594  -1.737   0.198
  174   1HD1  LEU  23          HD11      LEU  23  -0.447   0.543  -0.418
  175   2HD1  LEU  23          HD12      LEU  23  -1.941  -0.072  -1.150
  176   3HD1  LEU  23          HD13      LEU  23  -2.008   0.900   0.348
  177   1HD2  LEU  23          HD21      LEU  23  -0.411  -1.588   2.529
  178   2HD2  LEU  23          HD22      LEU  23   0.001   0.023   1.923
  179   3HD2  LEU  23          HD23      LEU  23  -1.601  -0.264   2.633
  180    H    ILE  24           H        ILE  24  -5.092  -1.399  -0.576
  181    HA   ILE  24           HA       ILE  24  -4.825  -1.178  -3.529
  182    HB   ILE  24           HB       ILE  24  -7.359  -1.627  -1.924
  183   1HG1  ILE  24          HG12      ILE  24  -6.300  -3.406  -4.141
  184   2HG1  ILE  24          HG13      ILE  24  -5.745  -3.652  -2.481
  185   1HG2  ILE  24          HG21      ILE  24  -7.669  -0.083  -3.888
  186   2HG2  ILE  24          HG22      ILE  24  -6.954  -1.317  -4.942
  187   3HG2  ILE  24          HG23      ILE  24  -8.498  -1.617  -4.127
  188   1HD1  ILE  24          HD11      ILE  24  -7.689  -5.092  -2.980
  189   2HD1  ILE  24          HD12      ILE  24  -7.972  -3.984  -1.630
  190   3HD1  ILE  24          HD13      ILE  24  -8.692  -3.652  -3.208
  191    H    LEU  25           H        LEU  25  -4.603   0.916  -3.995
  192    HA   LEU  25           HA       LEU  25  -5.881   3.059  -2.315
  193   1HB   LEU  25           HB2      LEU  25  -3.154   2.775  -3.589
  194   2HB   LEU  25           HB3      LEU  25  -3.892   4.367  -3.434
  195    HG   LEU  25           HG       LEU  25  -3.483   4.626  -1.335
  196   1HD1  LEU  25          HD11      LEU  25  -4.834   2.913  -0.493
  197   2HD1  LEU  25          HD12      LEU  25  -3.663   1.657  -0.944
  198   3HD1  LEU  25          HD13      LEU  25  -3.303   2.823   0.360
  199   1HD2  LEU  25          HD21      LEU  25  -1.199   4.044  -0.897
  200   2HD2  LEU  25          HD22      LEU  25  -1.328   2.497  -1.739
  201   3HD2  LEU  25          HD23      LEU  25  -1.355   4.012  -2.650
  202    H    HIS  26           H        HIS  26  -7.721   3.212  -3.526
  203    HA   HIS  26           HA       HIS  26  -9.057   3.840  -5.266
  204   1HB   HIS  26           HB2      HIS  26  -6.614   5.048  -6.620
  205   2HB   HIS  26           HB3      HIS  26  -8.310   5.406  -6.924
  206    HD1  HIS  26           HD1      HIS  26  -9.541   6.988  -5.095
  207    HD2  HIS  26           HD2      HIS  26  -5.473   6.111  -4.453
  208    HE1  HIS  26           HE1      HIS  26  -8.744   8.562  -3.271
  209    H    TYR  27           H        TYR  27  -8.645   1.311  -5.373
  210    HA   TYR  27           HA       TYR  27  -8.766  -0.519  -6.685
  211   1HB   TYR  27           HB2      TYR  27  -9.059   1.365  -9.045
  212   2HB   TYR  27           HB3      TYR  27  -9.688  -0.261  -8.895
  213    HD1  TYR  27           HD1      TYR  27 -10.867   2.877  -9.174
  214    HD2  TYR  27           HD2      TYR  27 -10.997  -0.285  -6.246
  215    HE1  TYR  27           HE1      TYR  27 -13.017   3.750  -8.296
  216    HE2  TYR  27           HE2      TYR  27 -13.175   0.516  -5.456
  217    HH   TYR  27           HH       TYR  27 -14.789   2.143  -5.642
  218    H    LYS  28           H        LYS  28  -6.072   0.808  -6.298
  219    HA   LYS  28           HA       LYS  28  -4.601  -0.568  -8.482
  220   1HB   LYS  28           HB2      LYS  28  -4.186   2.215  -7.361
  221   2HB   LYS  28           HB3      LYS  28  -2.933   1.317  -8.241
  222   1HG   LYS  28           HG2      LYS  28  -4.437   1.069 -10.123
  223   2HG   LYS  28           HG3      LYS  28  -5.722   1.978  -9.308
  224   1HD   LYS  28           HD2      LYS  28  -4.430   3.995  -9.255
  225   2HD   LYS  28           HD3      LYS  28  -2.962   3.179  -9.785
  226   1HE   LYS  28           HE2      LYS  28  -5.503   3.646 -11.428
  227   2HE   LYS  28           HE3      LYS  28  -3.917   4.398 -11.671
  228   1HZ   LYS  28           HZ1      LYS  28  -3.330   1.795 -11.879
  229   2HZ   LYS  28           HZ2      LYS  28  -4.878   1.789 -12.403
  230   3HZ   LYS  28           HZ3      LYS  28  -3.800   2.698 -13.181
  231    H    VAL  29           H        VAL  29  -3.082  -1.947  -7.781
  232    HA   VAL  29           HA       VAL  29  -2.735  -2.196  -4.905
  233    HB   VAL  29           HB       VAL  29  -1.734  -4.109  -7.018
  234   1HG1  VAL  29          HG11      VAL  29  -1.817  -5.722  -5.198
  235   2HG1  VAL  29          HG12      VAL  29  -0.966  -4.303  -4.563
  236   3HG1  VAL  29          HG13      VAL  29  -2.657  -4.568  -4.145
  237   1HG2  VAL  29          HG21      VAL  29  -4.082  -3.866  -7.462
  238   2HG2  VAL  29          HG22      VAL  29  -3.819  -5.379  -6.597
  239   3HG2  VAL  29          HG23      VAL  29  -4.478  -3.972  -5.731
  240    H    TYR  30           H        TYR  30  -0.880  -1.885  -3.853
  241    HA   TYR  30           HA       TYR  30   1.588  -1.045  -5.336
  242   1HB   TYR  30           HB2      TYR  30   0.202   0.160  -2.910
  243   2HB   TYR  30           HB3      TYR  30   1.812   0.601  -3.417
  244    HD1  TYR  30           HD1      TYR  30   2.109   1.666  -5.752
  245    HD2  TYR  30           HD2      TYR  30  -1.774   0.895  -4.087
  246    HE1  TYR  30           HE1      TYR  30   1.054   3.204  -7.424
  247    HE2  TYR  30           HE2      TYR  30  -2.777   2.498  -5.705
  248    HH   TYR  30           HH       TYR  30  -0.806   4.654  -7.661
  249    H    ASP  31           H        ASP  31   3.157  -2.519  -4.871
  250    HA   ASP  31           HA       ASP  31   3.063  -4.043  -2.336
  251   1HB   ASP  31           HB2      ASP  31   3.860  -5.302  -4.243
  252   2HB   ASP  31           HB3      ASP  31   5.057  -4.042  -4.634
  253    H    LEU  32           H        LEU  32   3.877  -3.116  -0.545
  254    HA   LEU  32           HA       LEU  32   6.181  -1.258  -0.816
  255   1HB   LEU  32           HB2      LEU  32   4.158  -1.115   1.376
  256   2HB   LEU  32           HB3      LEU  32   5.316   0.103   0.954
  257    HG   LEU  32           HG       LEU  32   2.967  -0.587  -0.862
  258   1HD1  LEU  32          HD11      LEU  32   2.380   1.847   0.239
  259   2HD1  LEU  32          HD12      LEU  32   1.775   0.285   0.771
  260   3HD1  LEU  32          HD13      LEU  32   3.140   1.039   1.607
  261   1HD2  LEU  32          HD21      LEU  32   4.671   1.923  -0.864
  262   2HD2  LEU  32          HD22      LEU  32   5.123   0.499  -1.816
  263   3HD2  LEU  32          HD23      LEU  32   3.591   1.283  -2.130
  264    H    THR  33           H        THR  33   5.730  -4.302  -0.356
  265    HA   THR  33           HA       THR  33   6.340  -5.005   2.285
  266    HB   THR  33           HB       THR  33   7.140  -6.243  -0.367
  267    HG1  THR  33           HG1      THR  33   5.048  -6.220  -0.284
  268   1HG2  THR  33          HG21      THR  33   7.223  -8.392   0.949
  269   2HG2  THR  33          HG22      THR  33   8.567  -7.272   1.246
  270   3HG2  THR  33          HG23      THR  33   7.259  -7.394   2.417
  271    H    LYS  34           H        LYS  34   8.480  -4.016  -0.366
  272    HA   LYS  34           HA       LYS  34  10.851  -3.960   1.470
  273   1HB   LYS  34           HB2      LYS  34  10.481  -4.290  -1.502
  274   2HB   LYS  34           HB3      LYS  34  11.971  -3.536  -0.913
  275   1HG   LYS  34           HG2      LYS  34  12.595  -5.365   0.399
  276   2HG   LYS  34           HG3      LYS  34  10.999  -6.138   0.290
  277   1HD   LYS  34           HD2      LYS  34  11.309  -6.526  -2.116
  278   2HD   LYS  34           HD3      LYS  34  12.871  -5.675  -2.071
  279   1HE   LYS  34           HE2      LYS  34  13.668  -7.397  -0.367
  280   2HE   LYS  34           HE3      LYS  34  12.149  -8.276  -0.616
  281   1HZ   LYS  34           HZ1      LYS  34  13.920  -9.171  -1.940
  282   2HZ   LYS  34           HZ2      LYS  34  12.777  -8.529  -2.935
  283   3HZ   LYS  34           HZ3      LYS  34  14.190  -7.724  -2.671
  284    H    PHE  35           H        PHE  35   8.610  -2.135   1.715
  285    HA   PHE  35           HA       PHE  35  10.297   0.276   1.536
  286   1HB   PHE  35           HB2      PHE  35   8.263  -0.049  -0.239
  287   2HB   PHE  35           HB3      PHE  35   7.369   0.462   1.129
  288    HD1  PHE  35           HD1      PHE  35  10.756   1.677  -0.076
  289    HD2  PHE  35           HD2      PHE  35   6.596   2.641   0.608
  290    HE1  PHE  35           HE1      PHE  35  11.234   4.046  -0.506
  291    HE2  PHE  35           HE2      PHE  35   7.086   5.021   0.138
  292    HZ   PHE  35           HZ       PHE  35   9.414   5.738  -0.390
  293    H    LEU  36           H        LEU  36   9.030  -1.841   3.624
  294    HA   LEU  36           HA       LEU  36   7.314  -0.263   5.257
  295   1HB   LEU  36           HB2      LEU  36   9.071  -2.671   5.913
  296   2HB   LEU  36           HB3      LEU  36   7.820  -2.036   6.986
  297    HG   LEU  36           HG       LEU  36   7.245  -3.036   4.169
  298   1HD1  LEU  36          HD11      LEU  36   6.336  -5.020   5.359
  299   2HD1  LEU  36          HD12      LEU  36   8.099  -4.876   5.484
  300   3HD1  LEU  36          HD13      LEU  36   7.062  -4.437   6.864
  301   1HD2  LEU  36          HD21      LEU  36   5.423  -2.423   6.543
  302   2HD2  LEU  36          HD22      LEU  36   5.518  -1.476   5.037
  303   3HD2  LEU  36          HD23      LEU  36   4.935  -3.133   4.998
  304    H    GLU  37           H        GLU  37  10.710  -1.195   5.885
  305    HA   GLU  37           HA       GLU  37  11.022   0.650   8.037
  306   1HB   GLU  37           HB2      GLU  37  12.297  -1.563   7.354
  307   2HB   GLU  37           HB3      GLU  37  13.356  -0.456   6.469
  308   1HG   GLU  37           HG2      GLU  37  13.892   0.691   8.583
  309   2HG   GLU  37           HG3      GLU  37  12.659  -0.258   9.439
  310    H    GLU  38           H        GLU  38  11.356   0.914   4.563
  311    HA   GLU  38           HA       GLU  38  12.913   3.316   4.454
  312   1HB   GLU  38           HB2      GLU  38  11.002   2.131   2.446
  313   2HB   GLU  38           HB3      GLU  38  12.261   3.291   2.100
  314   1HG   GLU  38           HG2      GLU  38  13.557   1.067   3.411
  315   2HG   GLU  38           HG3      GLU  38  12.475   0.394   2.188
  316    H    HIS  39           HN       HIS  39   9.382   2.628   4.418
  317    HA   HIS  39           HA       HIS  39   8.608   5.202   3.614
  318   1HB   HIS  39           HB2      HIS  39   7.178   3.319   3.269
  319   2HB   HIS  39           HB3      HIS  39   7.079   3.013   5.008
  320    HD1  HIS  39           HND      HIS  39   5.695   4.822   6.445
  321    HD2  HIS  39           HD       HIS  39   5.381   5.078   2.262
  322    HE1  HIS  39           HE       HIS  39   3.714   6.290   5.977
  323    HA   PRO  40           HA       PRO  40   9.675   7.335   7.287
  324   1HB   PRO  40           HB2      PRO  40   8.444   9.774   6.948
  325   2HB   PRO  40           HB3      PRO  40   9.853   9.219   6.000
  326   1HG   PRO  40           HG2      PRO  40   6.933   9.082   5.228
  327   2HG   PRO  40           HG3      PRO  40   8.303   9.665   4.235
  328   1HD   PRO  40           HD2      PRO  40   7.313   7.155   3.972
  329   2HD   PRO  40           HD3      PRO  40   9.074   7.457   3.847
  330    H    GLY  41           H        GLY  41   6.207   7.147   6.564
  331   1HA   GLY  41           HA1      GLY  41   4.973   7.854   8.950
  332   2HA   GLY  41           HA2      GLY  41   4.463   6.510   7.960
  333    H    GLY  42           H        GLY  42   7.191   5.101   8.462
  334   1HA   GLY  42           HA1      GLY  42   8.150   3.882  10.168
  335   2HA   GLY  42           HA2      GLY  42   6.886   4.355  11.308
  336    H    GLU  43           H        GLU  43   8.084   1.742   9.847
  337    HA   GLU  43           HA       GLU  43   6.003   0.260   8.741
  338   1HB   GLU  43           HB2      GLU  43   7.310  -1.683   9.570
  339   2HB   GLU  43           HB3      GLU  43   8.174  -0.512   8.574
  340   1HG   GLU  43           HG2      GLU  43   9.661   0.038  10.181
  341   2HG   GLU  43           HG3      GLU  43   8.445   0.101  11.459
  342    H    ALA  44           H        ALA  44   4.130   0.589   9.718
  343    HA   ALA  44           HA       ALA  44   3.267  -1.114  11.867
  344   1HB   ALA  44           HB1      ALA  44   4.043   1.725  12.553
  345   2HB   ALA  44           HB2      ALA  44   2.580   1.048  13.299
  346   3HB   ALA  44           HB3      ALA  44   4.139   0.248  13.534
  347    H    VAL  45           H        VAL  45   2.445   2.259  10.857
  348    HA   VAL  45           HA       VAL  45  -0.308   1.599  10.544
  349    HB   VAL  45           HB       VAL  45   0.570   3.839  10.963
  350   1HG1  VAL  45          HG11      VAL  45   1.115   4.298   8.053
  351   2HG1  VAL  45          HG12      VAL  45   1.635   5.198   9.483
  352   3HG1  VAL  45          HG13      VAL  45   2.409   3.660   9.103
  353   1HG2  VAL  45          HG21      VAL  45  -1.392   3.351   8.731
  354   2HG2  VAL  45          HG22      VAL  45  -1.675   3.844  10.403
  355   3HG2  VAL  45          HG23      VAL  45  -1.000   5.002   9.243
  356    H    LEU  46           H        LEU  46   2.450   1.551   8.169
  357    HA   LEU  46           HA       LEU  46   0.750   0.945   5.940
  358   1HB   LEU  46           HB2      LEU  46   3.679   0.137   6.293
  359   2HB   LEU  46           HB3      LEU  46   2.763   0.319   4.799
  360    HG   LEU  46           HG       LEU  46   3.970   2.257   4.808
  361   1HD1  LEU  46          HD11      LEU  46   1.435   3.119   6.255
  362   2HD1  LEU  46          HD12      LEU  46   2.478   4.113   5.264
  363   3HD1  LEU  46          HD13      LEU  46   1.612   2.762   4.532
  364   1HD2  LEU  46          HD21      LEU  46   4.139   1.941   7.718
  365   2HD2  LEU  46          HD22      LEU  46   5.239   2.647   6.580
  366   3HD2  LEU  46          HD23      LEU  46   3.899   3.624   7.221
  367    H    ARG  47           H        ARG  47   2.463  -1.131   8.275
  368    HA   ARG  47           HA       ARG  47   1.847  -3.538   6.812
  369   1HB   ARG  47           HB2      ARG  47   3.066  -4.645   8.359
  370   2HB   ARG  47           HB3      ARG  47   3.773  -3.004   8.480
  371   1HG   ARG  47           HG2      ARG  47   2.420  -2.598  10.481
  372   2HG   ARG  47           HG3      ARG  47   1.707  -4.202  10.362
  373   1HD   ARG  47           HD2      ARG  47   4.189  -5.070  10.488
  374   2HD   ARG  47           HD3      ARG  47   4.588  -3.427  10.968
  375    HE   ARG  47           HE       ARG  47   3.756  -3.824  13.047
  376   1HH1  ARG  47          HH11      ARG  47   1.556  -6.305  14.282
  377   2HH1  ARG  47          HH12      ARG  47   2.510  -4.914  14.687
  378   1HH2  ARG  47          HH21      ARG  47   1.544  -7.119  12.032
  379   2HH2  ARG  47          HH22      ARG  47   2.424  -6.225  10.842
  380    H    ALA  48           H        ALA  48   0.310  -1.678   9.379
  381    HA   ALA  48           HA       ALA  48  -1.529  -3.713  10.162
  382   1HB   ALA  48           HB1      ALA  48  -1.515  -0.688  10.547
  383   2HB   ALA  48           HB2      ALA  48  -2.626  -1.805  11.375
  384   3HB   ALA  48           HB3      ALA  48  -0.875  -1.909  11.667
  385    H    GLN  49           H        GLN  49  -1.827  -0.759   8.053
  386    HA   GLN  49           HA       GLN  49  -4.542  -1.421   7.262
  387   1HB   GLN  49           HB2      GLN  49  -2.401   0.555   6.449
  388   2HB   GLN  49           HB3      GLN  49  -3.797   0.352   5.432
  389   1HG   GLN  49           HG2      GLN  49  -3.921   1.082   8.389
  390   2HG   GLN  49           HG3      GLN  49  -4.113   2.204   7.037
  391   1HE2  GLN  49          HE21      GLN  49  -5.778   1.119   5.274
  392   2HE2  GLN  49          HE22      GLN  49  -7.316   0.700   5.969
  393    H    ALA  50           H        ALA  50  -1.459  -2.672   6.328
  394    HA   ALA  50           HA       ALA  50  -1.828  -3.323   3.700
  395   1HB   ALA  50           HB1      ALA  50  -0.868  -5.342   5.774
  396   2HB   ALA  50           HB2      ALA  50  -0.416  -5.215   4.068
  397   3HB   ALA  50           HB3      ALA  50   0.119  -3.974   5.234
  398    H    GLY  51           H        GLY  51  -2.848  -4.969   2.566
  399   1HA   GLY  51           HA1      GLY  51  -4.029  -7.110   2.605
  400   2HA   GLY  51           HA2      GLY  51  -5.072  -6.489   3.905
  401    H    GLY  52           H        GLY  52  -5.151  -3.749   2.786
  402   1HA   GLY  52           HA1      GLY  52  -5.892  -2.962   0.433
  403   2HA   GLY  52           HA2      GLY  52  -7.148  -4.191   0.620
  404    H    ASP  53           H        ASP  53  -8.235  -1.927   0.322
  405    HA   ASP  53           HA       ASP  53  -9.483  -0.261   1.128
  406   1HB   ASP  53           HB2      ASP  53 -10.484  -2.346   2.229
  407   2HB   ASP  53           HB3      ASP  53  -9.667  -1.847   3.718
  408    H    ALA  54           H        ALA  54  -7.000   0.486   1.099
  409    HA   ALA  54           HA       ALA  54  -6.602   2.048   3.626
  410   1HB   ALA  54           HB1      ALA  54  -4.232   2.124   3.101
  411   2HB   ALA  54           HB2      ALA  54  -4.767   0.431   3.297
  412   3HB   ALA  54           HB3      ALA  54  -4.483   1.091   1.673
  413    H    THR  55           H        THR  55  -7.675   2.284   0.444
  414    HA   THR  55           HA       THR  55  -6.555   4.532  -0.592
  415    HB   THR  55           HB       THR  55  -9.571   4.020  -0.463
  416    HG1  THR  55           HG1      THR  55  -9.114   2.209  -1.405
  417   1HG2  THR  55          HG21      THR  55  -7.698   5.206  -2.522
  418   2HG2  THR  55          HG22      THR  55  -9.417   4.865  -2.824
  419   3HG2  THR  55          HG23      THR  55  -8.944   6.093  -1.625
  420    H    ALA  56           H        ALA  56  -9.196   4.495   1.833
  421    HA   ALA  56           HA       ALA  56  -9.393   7.309   2.159
  422   1HB   ALA  56           HB1      ALA  56 -10.055   5.053   4.102
  423   2HB   ALA  56           HB2      ALA  56 -10.580   6.743   4.255
  424   3HB   ALA  56           HB3      ALA  56 -11.146   5.762   2.889
  425    H    ASN  57           H        ASN  57  -7.298   4.897   3.719
  426    HA   ASN  57           HA       ASN  57  -6.380   6.611   5.834
  427   1HB   ASN  57           HB2      ASN  57  -6.184   3.888   5.195
  428   2HB   ASN  57           HB3      ASN  57  -4.527   4.443   5.012
  429   1HD2  ASN  57          HD21      ASN  57  -3.665   5.793   6.993
  430   2HD2  ASN  57          HD22      ASN  57  -4.229   5.209   8.550
  431    H    PHE  58           H        PHE  58  -4.990   5.556   2.732
  432    HA   PHE  58           HA       PHE  58  -2.598   7.042   2.719
  433   1HB   PHE  58           HB2      PHE  58  -3.155   5.239   1.157
  434   2HB   PHE  58           HB3      PHE  58  -4.455   6.191   0.459
  435    HD1  PHE  58           HD1      PHE  58  -0.774   6.467   1.135
  436    HD2  PHE  58           HD2      PHE  58  -4.002   7.319  -1.580
  437    HE1  PHE  58           HE1      PHE  58   0.856   7.341  -0.527
  438    HE2  PHE  58           HE2      PHE  58  -2.378   8.117  -3.258
  439    HZ   PHE  58           HZ       PHE  58   0.063   8.127  -2.739
  440    H    GLU  59           H        GLU  59  -5.811   7.882   1.339
  441    HA   GLU  59           HA       GLU  59  -5.133  10.516   0.512
  442   1HB   GLU  59           HB2      GLU  59  -7.746   9.144   1.170
  443   2HB   GLU  59           HB3      GLU  59  -7.662  10.779   0.498
  444   1HG   GLU  59           HG2      GLU  59  -6.088   8.645  -0.945
  445   2HG   GLU  59           HG3      GLU  59  -7.846   8.590  -1.045
  446    H    ALA  60           H        ALA  60  -6.517   9.274   3.594
  447    HA   ALA  60           HA       ALA  60  -7.106  11.743   4.794
  448   1HB   ALA  60           HB1      ALA  60  -6.177   9.124   6.048
  449   2HB   ALA  60           HB2      ALA  60  -6.789  10.518   6.959
  450   3HB   ALA  60           HB3      ALA  60  -7.841   9.680   5.805
  451    H    VAL  61           H        VAL  61  -3.981   9.990   4.620
  452    HA   VAL  61           HA       VAL  61  -2.487  11.974   6.105
  453    HB   VAL  61           HB       VAL  61  -1.612  10.030   3.952
  454   1HG1  VAL  61          HG11      VAL  61   0.061  11.561   5.969
  455   2HG1  VAL  61          HG12      VAL  61   0.648  10.264   4.905
  456   3HG1  VAL  61          HG13      VAL  61   0.090  11.770   4.205
  457   1HG2  VAL  61          HG21      VAL  61  -2.206   8.520   5.524
  458   2HG2  VAL  61          HG22      VAL  61  -0.717   9.010   6.317
  459   3HG2  VAL  61          HG23      VAL  61  -2.243   9.717   6.839
  460    H    GLY  62           H        GLY  62  -3.560  11.742   2.728
  461   1HA   GLY  62           HA1      GLY  62  -3.812  13.575   1.300
  462   2HA   GLY  62           HA2      GLY  62  -2.617  14.512   2.203
  463    H    HIS  63           HN       HIS  63  -0.400  13.299   2.296
  464    HA   HIS  63           HA       HIS  63   1.511  12.751   1.222
  465   1HB   HIS  63           HB2      HIS  63  -0.322  11.136  -0.622
  466   2HB   HIS  63           HB3      HIS  63   1.416  11.163  -0.713
  467    HD1  HIS  63           HND      HIS  63  -1.318   9.855   1.712
  468    HD2  HIS  63           HD       HIS  63   2.785   9.658   0.813
  469    HE1  HIS  63           HE       HIS  63  -0.348   8.008   3.158
  470    H    SER  64           H        SER  64   2.881  13.360  -0.624
  471    HA   SER  64           HA       SER  64   1.698  15.667  -2.112
  472   1HB   SER  64           HB2      SER  64   3.669  15.987  -0.578
  473   2HB   SER  64           HB3      SER  64   4.634  15.046  -1.733
  474    HG   SER  64           HG       SER  64   4.590  17.399  -2.070
  475    H    THR  65           H        THR  65   3.062  16.124  -4.198
  476    HA   THR  65           HA       THR  65   2.204  14.319  -6.164
  477    HB   THR  65           HB       THR  65   4.540  16.179  -6.580
  478    HG1  THR  65           HG1      THR  65   3.196  17.891  -6.402
  479   1HG2  THR  65          HG21      THR  65   3.280  16.653  -8.700
  480   2HG2  THR  65          HG22      THR  65   3.728  14.944  -8.540
  481   3HG2  THR  65          HG23      THR  65   2.059  15.461  -8.218
  482    H    ASP  66           H        ASP  66   5.428  14.772  -4.707
  483    HA   ASP  66           HA       ASP  66   6.924  12.953  -6.194
  484   1HB   ASP  66           HB2      ASP  66   7.518  14.583  -4.170
  485   2HB   ASP  66           HB3      ASP  66   7.266  13.152  -3.172
  486    H    ALA  67           H        ALA  67   5.001  12.402  -3.277
  487    HA   ALA  67           HA       ALA  67   5.367   9.571  -3.090
  488   1HB   ALA  67           HB1      ALA  67   4.467  10.923  -1.219
  489   2HB   ALA  67           HB2      ALA  67   3.002  11.222  -2.167
  490   3HB   ALA  67           HB3      ALA  67   3.390   9.574  -1.651
  491    H    ARG  68           H        ARG  68   2.769  11.532  -4.641
  492    HA   ARG  68           HA       ARG  68   1.155   9.380  -5.556
  493   1HB   ARG  68           HB2      ARG  68   1.609  12.172  -6.636
  494   2HB   ARG  68           HB3      ARG  68   0.396  11.083  -7.299
  495   1HG   ARG  68           HG2      ARG  68  -0.964  11.165  -5.428
  496   2HG   ARG  68           HG3      ARG  68   0.353  11.500  -4.317
  497   1HD   ARG  68           HD2      ARG  68  -0.071  13.639  -4.355
  498   2HD   ARG  68           HD3      ARG  68   0.059  13.766  -6.098
  499    HE   ARG  68           HE       ARG  68  -2.339  13.541  -4.423
  500   1HH1  ARG  68          HH11      ARG  68  -4.496  14.060  -7.168
  501   2HH1  ARG  68          HH12      ARG  68  -4.371  13.999  -5.441
  502   1HH2  ARG  68          HH21      ARG  68  -2.562  13.638  -8.499
  503   2HH2  ARG  68          HH22      ARG  68  -1.082  13.222  -7.689
  504    H    GLU  69           H        GLU  69   4.140  10.765  -6.875
  505    HA   GLU  69           HA       GLU  69   3.982   9.293  -9.420
  506   1HB   GLU  69           HB2      GLU  69   5.715  11.300  -8.100
  507   2HB   GLU  69           HB3      GLU  69   6.504  10.281  -9.304
  508   1HG   GLU  69           HG2      GLU  69   3.848  11.574 -10.004
  509   2HG   GLU  69           HG3      GLU  69   5.314  12.558  -9.995
  510    H    LEU  70           H        LEU  70   5.808   9.118  -6.358
  511    HA   LEU  70           HA       LEU  70   7.437   6.962  -6.993
  512   1HB   LEU  70           HB2      LEU  70   7.686   8.428  -5.039
  513   2HB   LEU  70           HB3      LEU  70   6.226   7.728  -4.355
  514    HG   LEU  70           HG       LEU  70   7.218   5.956  -3.478
  515   1HD1  LEU  70          HD11      LEU  70   9.170   4.749  -4.498
  516   2HD1  LEU  70          HD12      LEU  70   7.594   4.728  -5.280
  517   3HD1  LEU  70          HD13      LEU  70   8.894   5.766  -5.935
  518   1HD2  LEU  70          HD21      LEU  70   9.709   7.610  -3.991
  519   2HD2  LEU  70          HD22      LEU  70   8.586   7.788  -2.619
  520   3HD2  LEU  70          HD23      LEU  70   9.549   6.308  -2.795
  521    H    SER  71           H        SER  71   4.346   6.919  -5.259
  522    HA   SER  71           HA       SER  71   3.648   4.310  -5.058
  523   1HB   SER  71           HB2      SER  71   1.697   6.292  -6.304
  524   2HB   SER  71           HB3      SER  71   1.355   4.884  -5.284
  525    HG   SER  71           HG       SER  71   2.594   7.302  -4.522
  526    H    LYS  72           H        LYS  72   3.277   6.156  -8.170
  527    HA   LYS  72           HA       LYS  72   2.355   3.944  -9.702
  528   1HB   LYS  72           HB2      LYS  72   3.760   6.551 -10.386
  529   2HB   LYS  72           HB3      LYS  72   3.441   5.358 -11.622
  530   1HG   LYS  72           HG2      LYS  72   1.069   5.783  -9.925
  531   2HG   LYS  72           HG3      LYS  72   1.671   7.312 -10.577
  532   1HD   LYS  72           HD2      LYS  72   1.601   6.526 -12.822
  533   2HD   LYS  72           HD3      LYS  72   1.317   4.842 -12.341
  534   1HE   LYS  72           HE2      LYS  72  -0.915   5.155 -11.858
  535   2HE   LYS  72           HE3      LYS  72  -0.695   6.839 -11.360
  536   1HZ   LYS  72           HZ1      LYS  72  -0.776   5.860 -14.133
  537   2HZ   LYS  72           HZ2      LYS  72  -1.873   6.828 -13.372
  538   3HZ   LYS  72           HZ3      LYS  72  -0.369   7.395 -13.700
  539    H    THR  73           H        THR  73   5.690   4.994  -8.956
  540    HA   THR  73           HA       THR  73   6.967   2.989 -10.589
  541    HB   THR  73           HB       THR  73   7.791   5.103  -8.748
  542    HG1  THR  73           HG1      THR  73   9.146   3.663 -10.762
  543   1HG2  THR  73          HG21      THR  73   9.912   4.149  -8.030
  544   2HG2  THR  73          HG22      THR  73   8.562   3.306  -7.258
  545   3HG2  THR  73          HG23      THR  73   9.429   2.546  -8.618
  546    H    PHE  74           H        PHE  74   5.412   2.870  -7.500
  547    HA   PHE  74           HA       PHE  74   6.461   0.130  -6.940
  548   1HB   PHE  74           HB2      PHE  74   4.931   2.184  -5.322
  549   2HB   PHE  74           HB3      PHE  74   4.826   0.489  -4.883
  550    HD1  PHE  74           HD1      PHE  74   7.190  -0.820  -4.934
  551    HD2  PHE  74           HD2      PHE  74   6.406   3.264  -3.807
  552    HE1  PHE  74           HE1      PHE  74   9.259  -0.800  -3.579
  553    HE2  PHE  74           HE2      PHE  74   8.482   3.280  -2.459
  554    HZ   PHE  74           HZ       PHE  74   9.891   1.238  -2.321
  555    H    ILE  75           H        ILE  75   3.986   1.449  -8.796
  556    HA   ILE  75           HA       ILE  75   1.784  -0.106  -7.963
  557    HB   ILE  75           HB       ILE  75   2.082   1.802  -9.770
  558   1HG1  ILE  75          HG12      ILE  75  -0.069  -0.287  -9.531
  559   2HG1  ILE  75          HG13      ILE  75   0.096   1.298  -8.741
  560   1HG2  ILE  75          HG21      ILE  75   3.254   0.315 -11.426
  561   2HG2  ILE  75          HG22      ILE  75   1.755  -0.648 -11.532
  562   3HG2  ILE  75          HG23      ILE  75   1.790   1.055 -12.049
  563   1HD1  ILE  75          HD11      ILE  75  -0.032   2.400 -10.944
  564   2HD1  ILE  75          HD12      ILE  75  -0.449   0.812 -11.666
  565   3HD1  ILE  75          HD13      ILE  75  -1.516   1.536 -10.449
  566    H    ILE  76           H        ILE  76   1.398  -2.285  -8.043
  567    HA   ILE  76           HA       ILE  76   3.265  -3.978  -9.693
  568    HB   ILE  76           HB       ILE  76   2.340  -5.830  -8.253
  569   1HG1  ILE  76          HG12      ILE  76   1.588  -3.564  -6.350
  570   2HG1  ILE  76          HG13      ILE  76   0.412  -4.367  -7.383
  571   1HG2  ILE  76          HG21      ILE  76   4.026  -5.364  -6.527
  572   2HG2  ILE  76          HG22      ILE  76   4.612  -4.808  -8.084
  573   3HG2  ILE  76          HG23      ILE  76   3.985  -3.632  -6.915
  574   1HD1  ILE  76          HD11      ILE  76   1.017  -5.170  -4.870
  575   2HD1  ILE  76          HD12      ILE  76   0.407  -6.264  -6.139
  576   3HD1  ILE  76          HD13      ILE  76   2.139  -6.187  -5.774
  577    H    GLY  77           H        GLY  77   0.049  -2.736  -9.634
  578   1HA   GLY  77           HA1      GLY  77  -0.647  -3.542 -12.149
  579   2HA   GLY  77           HA2      GLY  77  -1.180  -4.896 -11.121
  580    H    GLU  78           H        GLU  78  -3.340  -4.594 -11.097
  581    HA   GLU  78           HA       GLU  78  -4.367  -2.159  -9.811
  582   1HB   GLU  78           HB2      GLU  78  -4.749  -2.919 -12.634
  583   2HB   GLU  78           HB3      GLU  78  -6.264  -2.654 -11.777
  584   1HG   GLU  78           HG2      GLU  78  -5.602  -0.463 -11.111
  585   2HG   GLU  78           HG3      GLU  78  -3.967  -0.677 -11.810
  586    H    LEU  79           H        LEU  79  -6.685  -2.432  -9.342
  587    HA   LEU  79           HA       LEU  79  -7.055  -4.787  -7.707
  588   1HB   LEU  79           HB2      LEU  79  -7.990  -2.602  -7.124
  589   2HB   LEU  79           HB3      LEU  79  -8.871  -2.564  -8.664
  590    HG   LEU  79           HG       LEU  79 -10.070  -4.691  -7.847
  591   1HD1  LEU  79          HD11      LEU  79  -9.914  -4.147  -5.041
  592   2HD1  LEU  79          HD12      LEU  79  -9.421  -5.617  -5.883
  593   3HD1  LEU  79          HD13      LEU  79  -8.257  -4.319  -5.614
  594   1HD2  LEU  79          HD21      LEU  79 -11.808  -3.470  -7.243
  595   2HD2  LEU  79          HD22      LEU  79 -10.906  -2.471  -6.088
  596   3HD2  LEU  79          HD23      LEU  79 -10.832  -2.150  -7.836
  597    H    HIS  80           H        HIS  80  -8.093  -6.667  -8.216
  598    HA   HIS  80           HA       HIS  80  -8.545  -7.551 -10.791
  599   1HB   HIS  80           HB2      HIS  80  -8.388  -8.825  -8.653
  600   2HB   HIS  80           HB3      HIS  80 -10.119  -8.538  -8.410
  601    HD1  HIS  80           HD1      HIS  80 -11.562 -10.407  -9.601
  602    HD2  HIS  80           HD2      HIS  80  -7.543 -10.232 -10.814
  603    HE1  HIS  80           HE1      HIS  80 -11.177 -12.409 -11.121
  604    HA   PRO  81           HA       PRO  81 -12.268  -5.622 -12.074
  605   1HB   PRO  81           HB2      PRO  81 -12.962  -7.212 -14.217
  606   2HB   PRO  81           HB3      PRO  81 -11.723  -5.922 -14.219
  607   1HG   PRO  81           HG2      PRO  81 -11.329  -8.898 -13.997
  608   2HG   PRO  81           HG3      PRO  81 -10.316  -7.697 -14.854
  609   1HD   PRO  81           HD2      PRO  81  -9.746  -8.758 -12.397
  610   2HD   PRO  81           HD3      PRO  81  -9.176  -7.148 -12.928
  611    H    ASP  82           H        ASP  82 -12.155  -8.568 -10.508
  612    HA   ASP  82           HA       ASP  82 -15.110  -8.923 -10.487
  613   1HB   ASP  82           HB2      ASP  82 -13.201 -10.798 -11.029
  614   2HB   ASP  82           HB3      ASP  82 -13.319 -10.975  -9.250
  615    H    ASP  83           H        ASP  83 -12.900  -7.179  -8.803
  616    HA   ASP  83           HA       ASP  83 -13.838  -7.854  -6.063
  617   1HB   ASP  83           HB2      ASP  83 -11.534  -7.413  -6.160
  618   2HB   ASP  83           HB3      ASP  83 -11.755  -6.013  -7.227
  619    H    ARG  84           H        ARG  84 -13.757  -5.104  -8.273
  620    HA   ARG  84           HA       ARG  84 -15.041  -3.260  -6.698
  621   1HB   ARG  84           HB2      ARG  84 -15.441  -1.943  -8.673
  622   2HB   ARG  84           HB3      ARG  84 -13.824  -2.636  -8.719
  623   1HG   ARG  84           HG2      ARG  84 -16.081  -4.130 -10.107
  624   2HG   ARG  84           HG3      ARG  84 -15.547  -2.621 -10.816
  625   1HD   ARG  84           HD2      ARG  84 -13.805  -5.047 -10.211
  626   2HD   ARG  84           HD3      ARG  84 -14.435  -4.623 -11.783
  627    HE   ARG  84           HE       ARG  84 -12.112  -3.536 -10.436
  628   1HH1  ARG  84          HH11      ARG  84 -11.573  -0.983 -12.828
  629   2HH1  ARG  84          HH12      ARG  84 -10.900  -1.840 -11.480
  630   1HH2  ARG  84          HH21      ARG  84 -13.758  -1.559 -13.615
  631   2HH2  ARG  84          HH22      ARG  84 -14.623  -2.807 -12.768
  632    HHA  HEM 201           HGM      HEM 201   4.526  10.616   5.357
  633    HHB  HEM 201           HDM      HEM 201   5.730   7.968  -0.416
  634    HHC  HEM 201           HAM      HEM 201   0.881   3.837   0.517
  635    HHD  HEM 201           HBM      HEM 201  -0.043   6.194   6.424
  636   1HMA  HEM 201          HM81      HEM 201   6.526  10.317  -0.296
  637   2HMA  HEM 201          HM82      HEM 201   7.476  11.098   0.966
  638   3HMA  HEM 201          HM83      HEM 201   7.758   9.396   0.589
  639   1HAA  HEM 201          HAA1      HEM 201   6.579  11.618   4.281
  640   2HAA  HEM 201          HAA2      HEM 201   6.698  12.200   2.633
  641   1HBA  HEM 201          HBA1      HEM 201   4.874  13.062   4.585
  642   2HBA  HEM 201          HBA2      HEM 201   3.882  12.140   3.450
  643   1HMB  HEM 201          HM11      HEM 201   4.710   6.902  -2.719
  644   2HMB  HEM 201          HM12      HEM 201   5.891   5.878  -1.858
  645   3HMB  HEM 201          HM13      HEM 201   4.633   5.137  -2.861
  646    HAB  HEM 201          HT2A      HEM 201   2.480   3.007  -1.491
  647   1HBB  HEM 201          HV2C      HEM 201   0.895   5.293  -2.537
  648   2HBB  HEM 201          HV2T      HEM 201   0.841   3.465  -2.963
  649   1HMC  HEM 201          HM31      HEM 201  -1.911   2.746   2.866
  650   2HMC  HEM 201          HM32      HEM 201  -1.515   3.545   1.335
  651   3HMC  HEM 201          HM33      HEM 201  -0.453   2.276   1.965
  652    HAC  HEM 201          HT4A      HEM 201  -2.141   5.065   5.629
  653   1HBC  HEM 201          HV4C      HEM 201  -1.095   2.236   5.126
  654   2HBC  HEM 201          HV4T      HEM 201  -1.960   2.882   6.644
  655   1HMD  HEM 201          HM51      HEM 201   0.040   7.444   8.201
  656   2HMD  HEM 201          HM52      HEM 201   1.645   7.417   8.963
  657   3HMD  HEM 201          HM53      HEM 201   0.749   8.926   8.813
  658   1HAD  HEM 201          HAD1      HEM 201   3.340   9.525   8.732
  659   2HAD  HEM 201          HAD2      HEM 201   4.103  10.576   7.561
  660   1HBD  HEM 201          HBD1      HEM 201   2.477  12.145   7.698
  661   2HBD  HEM 201          HBD2      HEM 201   1.191  10.969   7.960
  Start of MODEL    2
    1   1H    ALA   3           H1       ALA   3   1.013  -4.829 -19.855
    2   2H    ALA   3           H2       ALA   3   2.230  -5.907 -19.608
    3   3H    ALA   3           H3       ALA   3   1.518  -5.799 -21.096
    4    HA   ALA   3           HA       ALA   3   0.807  -7.747 -19.951
    5   1HB   ALA   3           HB1      ALA   3  -0.812  -6.776 -21.464
    6   2HB   ALA   3           HB2      ALA   3  -1.646  -7.384 -20.026
    7   3HB   ALA   3           HB3      ALA   3  -1.379  -5.637 -20.231
    8    H    VAL   4           H        VAL   4  -1.380  -5.572 -18.174
    9    HA   VAL   4           HA       VAL   4   0.107  -5.870 -15.681
   10    HB   VAL   4           HB       VAL   4  -1.123  -3.818 -16.230
   11   1HG1  VAL   4          HG11      VAL   4  -3.686  -5.440 -15.875
   12   2HG1  VAL   4          HG12      VAL   4  -3.560  -3.690 -16.102
   13   3HG1  VAL   4          HG13      VAL   4  -3.105  -4.779 -17.418
   14   1HG2  VAL   4          HG21      VAL   4  -0.683  -4.477 -13.873
   15   2HG2  VAL   4          HG22      VAL   4  -2.124  -3.460 -14.067
   16   3HG2  VAL   4          HG23      VAL   4  -2.307  -5.199 -13.793
   17    H    LYS   5           H        LYS   5  -0.524  -7.177 -13.937
   18    HA   LYS   5           HA       LYS   5  -2.647  -9.219 -14.436
   19   1HB   LYS   5           HB2      LYS   5  -0.355 -10.163 -13.960
   20   2HB   LYS   5           HB3      LYS   5  -0.385  -9.299 -12.409
   21   1HG   LYS   5           HG2      LYS   5  -2.603 -10.515 -11.952
   22   2HG   LYS   5           HG3      LYS   5  -2.264 -11.520 -13.362
   23   1HD   LYS   5           HD2      LYS   5  -0.300 -12.441 -12.272
   24   2HD   LYS   5           HD3      LYS   5  -0.359 -11.195 -11.006
   25   1HE   LYS   5           HE2      LYS   5  -2.591 -12.057 -10.252
   26   2HE   LYS   5           HE3      LYS   5  -2.495 -13.342 -11.465
   27   1HZ   LYS   5           HZ1      LYS   5  -0.553 -14.175 -10.309
   28   2HZ   LYS   5           HZ2      LYS   5  -0.648 -12.960  -9.198
   29   3HZ   LYS   5           HZ3      LYS   5  -1.842 -14.082  -9.293
   30    H    TYR   6           H        TYR   6  -4.421  -9.030 -13.107
   31    HA   TYR   6           HA       TYR   6  -4.475  -6.876 -11.091
   32   1HB   TYR   6           HB2      TYR   6  -6.718  -8.648 -12.104
   33   2HB   TYR   6           HB3      TYR   6  -6.805  -7.216 -11.070
   34    HD1  TYR   6           HD1      TYR   6  -6.060  -8.374 -14.545
   35    HD2  TYR   6           HD2      TYR   6  -7.018  -5.042 -11.990
   36    HE1  TYR   6           HE1      TYR   6  -6.342  -6.937 -16.532
   37    HE2  TYR   6           HE2      TYR   6  -7.231  -3.577 -13.990
   38    HH   TYR   6           HH       TYR   6  -6.817  -4.820 -17.312
   39    H    TYR   7           H        TYR   7  -5.416  -7.414  -8.929
   40    HA   TYR   7           HA       TYR   7  -4.933 -10.246  -8.088
   41   1HB   TYR   7           HB2      TYR   7  -4.194  -7.802  -6.477
   42   2HB   TYR   7           HB3      TYR   7  -3.810  -9.481  -6.136
   43    HD1  TYR   7           HD1      TYR   7  -2.896  -6.436  -7.935
   44    HD2  TYR   7           HD2      TYR   7  -2.052 -10.647  -7.590
   45    HE1  TYR   7           HE1      TYR   7  -0.799  -6.111  -9.158
   46    HE2  TYR   7           HE2      TYR   7   0.086 -10.301  -8.828
   47    HH   TYR   7           HH       TYR   7   0.992  -7.124 -10.207
   48    H    THR   8           H        THR   8  -6.383 -11.026  -6.555
   49    HA   THR   8           HA       THR   8  -8.940  -9.630  -6.398
   50    HB   THR   8           HB       THR   8  -9.701 -11.666  -5.321
   51    HG1  THR   8           HG1      THR   8  -7.623 -13.247  -5.204
   52   1HG2  THR   8          HG21      THR   8  -9.360 -11.808  -7.792
   53   2HG2  THR   8          HG22      THR   8  -7.738 -12.486  -7.520
   54   3HG2  THR   8          HG23      THR   8  -9.172 -13.367  -6.972
   55    H    LEU   9           H        LEU   9  -9.988  -9.114  -4.336
   56    HA   LEU   9           HA       LEU   9  -8.454  -7.803  -2.419
   57   1HB   LEU   9           HB2      LEU   9 -11.138  -8.217  -2.853
   58   2HB   LEU   9           HB3      LEU   9 -10.925  -9.176  -1.415
   59    HG   LEU   9           HG       LEU   9 -10.353  -6.204  -1.791
   60   1HD1  LEU   9          HD11      LEU   9 -12.078  -5.918  -0.073
   61   2HD1  LEU   9          HD12      LEU   9 -12.730  -6.898  -1.392
   62   3HD1  LEU   9          HD13      LEU   9 -12.228  -7.679   0.116
   63   1HD2  LEU   9          HD21      LEU   9  -8.575  -7.037  -0.300
   64   2HD2  LEU   9          HD22      LEU   9  -9.772  -6.152   0.644
   65   3HD2  LEU   9          HD23      LEU   9  -9.786  -7.927   0.657
   66    H    GLU  10           H        GLU  10  -9.608 -11.151  -2.500
   67    HA   GLU  10           HA       GLU  10  -8.682 -12.180  -0.086
   68   1HB   GLU  10           HB2      GLU  10 -10.111 -13.345  -1.673
   69   2HB   GLU  10           HB3      GLU  10  -8.809 -13.485  -2.831
   70   1HG   GLU  10           HG2      GLU  10  -9.241 -15.583  -1.565
   71   2HG   GLU  10           HG3      GLU  10  -7.589 -14.997  -1.448
   72    H    GLU  11           H        GLU  11  -6.960 -12.498  -3.219
   73    HA   GLU  11           HA       GLU  11  -4.531 -13.441  -2.211
   74   1HB   GLU  11           HB2      GLU  11  -5.394 -12.006  -4.705
   75   2HB   GLU  11           HB3      GLU  11  -3.688 -12.020  -4.336
   76   1HG   GLU  11           HG2      GLU  11  -4.268 -13.908  -5.790
   77   2HG   GLU  11           HG3      GLU  11  -3.615 -14.452  -4.242
   78    H    ILE  12           H        ILE  12  -5.474  -9.991  -2.751
   79    HA   ILE  12           HA       ILE  12  -2.973  -8.957  -1.861
   80    HB   ILE  12           HB       ILE  12  -5.695  -7.626  -1.757
   81   1HG1  ILE  12          HG12      ILE  12  -3.620  -7.219  -3.949
   82   2HG1  ILE  12          HG13      ILE  12  -4.751  -8.541  -4.084
   83   1HG2  ILE  12          HG21      ILE  12  -2.901  -6.399  -1.912
   84   2HG2  ILE  12          HG22      ILE  12  -4.424  -5.507  -1.828
   85   3HG2  ILE  12          HG23      ILE  12  -3.874  -6.444  -0.442
   86   1HD1  ILE  12          HD11      ILE  12  -6.654  -6.947  -3.821
   87   2HD1  ILE  12          HD12      ILE  12  -5.478  -5.610  -3.849
   88   3HD1  ILE  12          HD13      ILE  12  -5.683  -6.651  -5.259
   89    H    GLN  13           H        GLN  13  -5.991  -9.697   0.000
   90    HA   GLN  13           HA       GLN  13  -5.252  -8.598   2.442
   91   1HB   GLN  13           HB2      GLN  13  -7.099 -10.795   1.554
   92   2HB   GLN  13           HB3      GLN  13  -6.717 -10.680   3.255
   93   1HG   GLN  13           HG2      GLN  13  -7.671  -8.306   1.627
   94   2HG   GLN  13           HG3      GLN  13  -8.774  -9.413   2.469
   95   1HE2  GLN  13          HE21      GLN  13  -9.275  -7.073   3.385
   96   2HE2  GLN  13          HE22      GLN  13  -8.418  -6.707   4.874
   97    H    LYS  14           H        LYS  14  -4.389 -11.814   1.162
   98    HA   LYS  14           HA       LYS  14  -3.169 -12.776   3.531
   99   1HB   LYS  14           HB2      LYS  14  -2.252 -13.306   0.689
  100   2HB   LYS  14           HB3      LYS  14  -1.934 -14.309   2.110
  101   1HG   LYS  14           HG2      LYS  14  -4.366 -14.820   2.304
  102   2HG   LYS  14           HG3      LYS  14  -4.690 -13.741   0.957
  103   1HD   LYS  14           HD2      LYS  14  -3.039 -15.185  -0.412
  104   2HD   LYS  14           HD3      LYS  14  -3.269 -16.408   0.862
  105   1HE   LYS  14           HE2      LYS  14  -5.713 -16.401   0.443
  106   2HE   LYS  14           HE3      LYS  14  -5.537 -15.006  -0.634
  107   1HZ   LYS  14           HZ1      LYS  14  -5.013 -17.769  -1.240
  108   2HZ   LYS  14           HZ2      LYS  14  -5.607 -16.524  -2.171
  109   3HZ   LYS  14           HZ3      LYS  14  -4.040 -16.620  -1.943
  110    H    HIS  15           H        HIS  15  -2.043 -10.373   1.239
  111    HA   HIS  15           HA       HIS  15   0.763 -10.439   2.194
  112   1HB   HIS  15           HB2      HIS  15  -0.603  -8.846  -0.001
  113   2HB   HIS  15           HB3      HIS  15   1.065  -8.629   0.504
  114    HD1  HIS  15           HD1      HIS  15   2.375  -9.516  -1.514
  115    HD2  HIS  15           HD2      HIS  15  -0.822 -11.984  -0.364
  116    HE1  HIS  15           HE1      HIS  15   2.502 -11.607  -2.967
  117    H    ASN  16           H        ASN  16  -0.382 -10.028   4.295
  118    HA   ASN  16           HA       ASN  16  -0.137  -7.099   4.882
  119   1HB   ASN  16           HB2      ASN  16  -1.924  -7.100   6.434
  120   2HB   ASN  16           HB3      ASN  16  -2.564  -7.845   4.968
  121   1HD2  ASN  16          HD21      ASN  16  -2.509 -10.286   4.948
  122   2HD2  ASN  16          HD22      ASN  16  -2.711 -11.179   6.423
  123    H    ASN  17           H        ASN  17   0.109 -10.414   6.159
  124    HA   ASN  17           HA       ASN  17   1.268  -9.362   8.672
  125   1HB   ASN  17           HB2      ASN  17  -0.705 -10.660   8.958
  126   2HB   ASN  17           HB3      ASN  17  -0.061 -11.973   7.958
  127   1HD2  ASN  17          HD21      ASN  17   0.228 -13.668   9.418
  128   2HD2  ASN  17          HD22      ASN  17   1.146 -13.511  10.905
  129    H    SER  18           H        SER  18   1.768 -12.132   6.403
  130    HA   SER  18           HA       SER  18   3.792 -13.398   7.566
  131   1HB   SER  18           HB2      SER  18   3.647 -12.976   4.553
  132   2HB   SER  18           HB3      SER  18   4.041 -14.460   5.450
  133    HG   SER  18           HG       SER  18   1.822 -14.335   4.643
  134    H    LYS  19           H        LYS  19   4.193 -10.769   5.209
  135    HA   LYS  19           HA       LYS  19   6.273  -9.384   6.351
  136   1HB   LYS  19           HB2      LYS  19   7.234 -11.768   4.833
  137   2HB   LYS  19           HB3      LYS  19   7.763 -10.254   4.120
  138   1HG   LYS  19           HG2      LYS  19   8.579  -9.513   6.392
  139   2HG   LYS  19           HG3      LYS  19   8.222 -11.152   6.976
  140   1HD   LYS  19           HD2      LYS  19   9.762 -12.031   5.120
  141   2HD   LYS  19           HD3      LYS  19  10.115 -10.352   4.704
  142   1HE   LYS  19           HE2      LYS  19  11.932 -11.138   6.061
  143   2HE   LYS  19           HE3      LYS  19  11.013  -9.965   7.012
  144   1HZ   LYS  19           HZ1      LYS  19   9.947 -11.828   8.126
  145   2HZ   LYS  19           HZ2      LYS  19  10.812 -12.903   7.231
  146   3HZ   LYS  19           HZ3      LYS  19  11.580 -11.909   8.290
  147    H    SER  20           H        SER  20   5.086 -10.769   3.302
  148    HA   SER  20           HA       SER  20   5.374  -8.703   1.461
  149   1HB   SER  20           HB2      SER  20   3.088 -10.050   0.807
  150   2HB   SER  20           HB3      SER  20   4.729 -10.599   0.431
  151    HG   SER  20           HG       SER  20   3.351 -12.163   1.538
  152    H    THR  21           H        THR  21   4.707  -6.653   1.950
  153    HA   THR  21           HA       THR  21   2.023  -6.242   3.208
  154    HB   THR  21           HB       THR  21   4.299  -4.253   2.973
  155    HG1  THR  21           HG1      THR  21   4.789  -6.263   4.236
  156   1HG2  THR  21          HG21      THR  21   3.075  -3.116   4.735
  157   2HG2  THR  21          HG22      THR  21   1.908  -3.501   3.468
  158   3HG2  THR  21          HG23      THR  21   2.033  -4.537   4.930
  159    H    TRP  22           H        TRP  22   0.597  -6.277   1.471
  160    HA   TRP  22           HA       TRP  22   0.999  -4.284  -0.697
  161   1HB   TRP  22           HB2      TRP  22  -0.750  -6.763  -0.573
  162   2HB   TRP  22           HB3      TRP  22  -0.751  -5.573  -1.855
  163    HD1  TRP  22           HD1      TRP  22   2.771  -6.173  -1.074
  164    HE1  TRP  22           HE1      TRP  22   3.852  -7.524  -2.881
  165    HE3  TRP  22           HE3      TRP  22  -1.471  -7.950  -3.307
  166    HZ2  TRP  22           HZ2      TRP  22   2.990  -9.294  -5.052
  167    HZ3  TRP  22           HZ3      TRP  22  -1.311  -9.537  -5.191
  168    HH2  TRP  22           HH2      TRP  22   0.913 -10.188  -6.105
  169    H    LEU  23           H        LEU  23  -1.190  -3.316  -1.390
  170    HA   LEU  23           HA       LEU  23  -3.456  -3.453   0.300
  171   1HB   LEU  23           HB2      LEU  23  -3.341  -0.995   1.076
  172   2HB   LEU  23           HB3      LEU  23  -2.471  -2.222   1.950
  173    HG   LEU  23           HG       LEU  23  -0.371  -1.534   0.546
  174   1HD1  LEU  23          HD11      LEU  23  -0.380   0.754  -0.266
  175   2HD1  LEU  23          HD12      LEU  23  -1.709  -0.086  -1.080
  176   3HD1  LEU  23          HD13      LEU  23  -2.033   0.971   0.316
  177   1HD2  LEU  23          HD21      LEU  23  -0.557  -1.089   2.919
  178   2HD2  LEU  23          HD22      LEU  23   0.073   0.338   2.070
  179   3HD2  LEU  23          HD23      LEU  23  -1.629   0.297   2.605
  180    H    ILE  24           H        ILE  24  -5.030  -1.637  -0.309
  181    HA   ILE  24           HA       ILE  24  -4.896  -1.224  -3.266
  182    HB   ILE  24           HB       ILE  24  -7.262  -1.819  -1.473
  183   1HG1  ILE  24          HG12      ILE  24  -6.483  -3.279  -4.012
  184   2HG1  ILE  24          HG13      ILE  24  -5.652  -3.666  -2.508
  185   1HG2  ILE  24          HG21      ILE  24  -8.008  -0.127  -3.081
  186   2HG2  ILE  24          HG22      ILE  24  -7.157  -0.955  -4.401
  187   3HG2  ILE  24          HG23      ILE  24  -8.586  -1.685  -3.653
  188   1HD1  ILE  24          HD11      ILE  24  -7.688  -4.275  -1.369
  189   2HD1  ILE  24          HD12      ILE  24  -8.697  -3.697  -2.695
  190   3HD1  ILE  24          HD13      ILE  24  -7.677  -5.125  -2.915
  191    H    LEU  25           H        LEU  25  -4.594   0.841  -3.748
  192    HA   LEU  25           HA       LEU  25  -5.996   3.005  -2.218
  193   1HB   LEU  25           HB2      LEU  25  -3.285   2.938  -3.522
  194   2HB   LEU  25           HB3      LEU  25  -4.197   4.415  -3.293
  195    HG   LEU  25           HG       LEU  25  -3.796   4.668  -1.195
  196   1HD1  LEU  25          HD11      LEU  25  -3.384   2.876   0.461
  197   2HD1  LEU  25          HD12      LEU  25  -4.946   2.812  -0.368
  198   3HD1  LEU  25          HD13      LEU  25  -3.657   1.697  -0.861
  199   1HD2  LEU  25          HD21      LEU  25  -1.495   2.783  -1.887
  200   2HD2  LEU  25          HD22      LEU  25  -1.603   4.511  -2.302
  201   3HD2  LEU  25          HD23      LEU  25  -1.484   4.003  -0.606
  202    H    HIS  26           H        HIS  26  -7.730   3.468  -3.380
  203    HA   HIS  26           HA       HIS  26  -9.071   4.041  -5.102
  204   1HB   HIS  26           HB2      HIS  26  -6.542   4.995  -6.476
  205   2HB   HIS  26           HB3      HIS  26  -8.194   5.515  -6.811
  206    HD1  HIS  26           HD1      HIS  26  -9.326   7.158  -4.893
  207    HD2  HIS  26           HD2      HIS  26  -5.294   6.079  -4.429
  208    HE1  HIS  26           HE1      HIS  26  -8.351   8.731  -3.133
  209    H    TYR  27           H        TYR  27  -8.616   1.412  -5.083
  210    HA   TYR  27           HA       TYR  27  -8.898  -0.474  -6.238
  211   1HB   TYR  27           HB2      TYR  27  -9.246   1.180  -8.760
  212   2HB   TYR  27           HB3      TYR  27  -9.736  -0.477  -8.462
  213    HD1  TYR  27           HD1      TYR  27 -10.559   3.079  -7.736
  214    HD2  TYR  27           HD2      TYR  27 -11.772  -1.030  -7.322
  215    HE1  TYR  27           HE1      TYR  27 -12.752   3.811  -6.873
  216    HE2  TYR  27           HE2      TYR  27 -13.993  -0.298  -6.526
  217    HH   TYR  27           HH       TYR  27 -14.820   3.148  -6.071
  218    H    LYS  28           H        LYS  28  -6.096   1.203  -6.414
  219    HA   LYS  28           HA       LYS  28  -4.831  -0.649  -8.375
  220   1HB   LYS  28           HB2      LYS  28  -3.890   2.061  -7.431
  221   2HB   LYS  28           HB3      LYS  28  -3.106   1.004  -8.621
  222   1HG   LYS  28           HG2      LYS  28  -5.233   1.144  -9.988
  223   2HG   LYS  28           HG3      LYS  28  -5.855   2.300  -8.806
  224   1HD   LYS  28           HD2      LYS  28  -3.865   3.768  -9.233
  225   2HD   LYS  28           HD3      LYS  28  -3.436   2.723 -10.599
  226   1HE   LYS  28           HE2      LYS  28  -6.133   4.133 -10.254
  227   2HE   LYS  28           HE3      LYS  28  -4.799   4.789 -11.211
  228   1HZ   LYS  28           HZ1      LYS  28  -6.498   3.513 -12.500
  229   2HZ   LYS  28           HZ2      LYS  28  -4.962   2.955 -12.701
  230   3HZ   LYS  28           HZ3      LYS  28  -5.959   2.124 -11.798
  231    H    VAL  29           H        VAL  29  -3.126  -1.950  -7.666
  232    HA   VAL  29           HA       VAL  29  -2.898  -2.152  -4.744
  233    HB   VAL  29           HB       VAL  29  -1.920  -4.188  -6.737
  234   1HG1  VAL  29          HG11      VAL  29  -2.115  -5.694  -4.849
  235   2HG1  VAL  29          HG12      VAL  29  -1.216  -4.286  -4.265
  236   3HG1  VAL  29          HG13      VAL  29  -2.928  -4.460  -3.864
  237   1HG2  VAL  29          HG21      VAL  29  -4.253  -3.895  -7.255
  238   2HG2  VAL  29          HG22      VAL  29  -4.075  -5.365  -6.297
  239   3HG2  VAL  29          HG23      VAL  29  -4.698  -3.885  -5.535
  240    H    TYR  30           H        TYR  30  -1.037  -1.865  -3.678
  241    HA   TYR  30           HA       TYR  30   1.459  -1.174  -5.198
  242   1HB   TYR  30           HB2      TYR  30   0.235   0.019  -2.679
  243   2HB   TYR  30           HB3      TYR  30   1.834   0.418  -3.286
  244    HD1  TYR  30           HD1      TYR  30  -1.798   0.843  -3.787
  245    HD2  TYR  30           HD2      TYR  30   2.065   1.489  -5.539
  246    HE1  TYR  30           HE1      TYR  30  -2.820   2.280  -5.530
  247    HE2  TYR  30           HE2      TYR  30   1.029   2.932  -7.276
  248    HH   TYR  30           HH       TYR  30  -0.878   3.861  -8.072
  249    H    ASP  31           H        ASP  31   3.151  -2.492  -4.688
  250    HA   ASP  31           HA       ASP  31   3.146  -3.980  -2.088
  251   1HB   ASP  31           HB2      ASP  31   3.694  -5.339  -4.094
  252   2HB   ASP  31           HB3      ASP  31   5.045  -4.251  -4.453
  253    H    LEU  32           H        LEU  32   4.145  -2.865  -0.488
  254    HA   LEU  32           HA       LEU  32   6.420  -1.078  -1.195
  255   1HB   LEU  32           HB2      LEU  32   4.495  -0.612   1.055
  256   2HB   LEU  32           HB3      LEU  32   5.701   0.496   0.492
  257    HG   LEU  32           HG       LEU  32   3.859  -0.144  -1.719
  258   1HD1  LEU  32          HD11      LEU  32   2.629   1.234   0.669
  259   2HD1  LEU  32          HD12      LEU  32   1.869   0.800  -0.886
  260   3HD1  LEU  32          HD13      LEU  32   2.322  -0.467   0.247
  261   1HD2  LEU  32          HD21      LEU  32   5.573   1.636  -1.569
  262   2HD2  LEU  32          HD22      LEU  32   3.966   2.168  -2.072
  263   3HD2  LEU  32          HD23      LEU  32   4.537   2.482  -0.405
  264    H    THR  33           H        THR  33   6.182  -3.955  -0.426
  265    HA   THR  33           HA       THR  33   6.574  -4.269   2.338
  266    HB   THR  33           HB       THR  33   5.933  -5.920   0.383
  267    HG1  THR  33           HG1      THR  33   7.294  -6.569   2.755
  268   1HG2  THR  33          HG21      THR  33   7.617  -7.525  -0.203
  269   2HG2  THR  33          HG22      THR  33   8.147  -5.931  -0.753
  270   3HG2  THR  33          HG23      THR  33   8.871  -6.661   0.706
  271    H    LYS  34           H        LYS  34   8.879  -3.628  -0.236
  272    HA   LYS  34           HA       LYS  34  11.253  -3.955   1.438
  273   1HB   LYS  34           HB2      LYS  34  10.643  -3.108  -1.355
  274   2HB   LYS  34           HB3      LYS  34  12.081  -2.390  -0.637
  275   1HG   LYS  34           HG2      LYS  34  11.589  -5.382  -0.472
  276   2HG   LYS  34           HG3      LYS  34  12.316  -4.613  -1.891
  277   1HD   LYS  34           HD2      LYS  34  14.120  -3.627  -0.505
  278   2HD   LYS  34           HD3      LYS  34  13.396  -4.281   0.954
  279   1HE   LYS  34           HE2      LYS  34  15.260  -5.671   0.353
  280   2HE   LYS  34           HE3      LYS  34  13.769  -6.601   0.152
  281   1HZ   LYS  34           HZ1      LYS  34  13.914  -6.194  -2.213
  282   2HZ   LYS  34           HZ2      LYS  34  15.274  -5.284  -2.021
  283   3HZ   LYS  34           HZ3      LYS  34  15.303  -6.891  -1.678
  284    H    PHE  35           H        PHE  35   8.803  -1.527   1.064
  285    HA   PHE  35           HA       PHE  35  10.628   0.759   1.525
  286   1HB   PHE  35           HB2      PHE  35   8.657   0.521  -0.278
  287   2HB   PHE  35           HB3      PHE  35   7.675   0.848   1.094
  288    HD1  PHE  35           HD1      PHE  35  10.877   2.299  -0.258
  289    HD2  PHE  35           HD2      PHE  35   6.899   3.058   1.230
  290    HE1  PHE  35           HE1      PHE  35  11.304   4.717  -0.370
  291    HE2  PHE  35           HE2      PHE  35   7.304   5.493   1.037
  292    HZ   PHE  35           HZ       PHE  35   9.526   6.335   0.298
  293    H    LEU  36           H        LEU  36   9.114  -1.470   3.493
  294    HA   LEU  36           HA       LEU  36   7.483   0.021   5.205
  295   1HB   LEU  36           HB2      LEU  36   9.331  -2.352   5.697
  296   2HB   LEU  36           HB3      LEU  36   8.199  -1.767   6.914
  297    HG   LEU  36           HG       LEU  36   7.368  -2.670   4.116
  298   1HD1  LEU  36          HD11      LEU  36   7.230  -4.123   6.802
  299   2HD1  LEU  36          HD12      LEU  36   6.604  -4.727   5.257
  300   3HD1  LEU  36          HD13      LEU  36   8.353  -4.506   5.472
  301   1HD2  LEU  36          HD21      LEU  36   5.822  -1.939   6.658
  302   2HD2  LEU  36          HD22      LEU  36   5.657  -1.209   5.042
  303   3HD2  LEU  36          HD23      LEU  36   5.130  -2.870   5.324
  304    H    GLU  37           H        GLU  37  10.930  -0.738   5.736
  305    HA   GLU  37           HA       GLU  37  11.212   0.961   8.004
  306   1HB   GLU  37           HB2      GLU  37  12.591  -1.043   7.258
  307   2HB   GLU  37           HB3      GLU  37  13.432   0.047   6.150
  308   1HG   GLU  37           HG2      GLU  37  13.217   0.519   9.168
  309   2HG   GLU  37           HG3      GLU  37  14.486  -0.473   8.445
  310    H    GLU  38           H        GLU  38  11.655   1.460   4.528
  311    HA   GLU  38           HA       GLU  38  12.958   3.966   4.531
  312   1HB   GLU  38           HB2      GLU  38  11.032   2.740   2.535
  313   2HB   GLU  38           HB3      GLU  38  12.103   4.069   2.199
  314   1HG   GLU  38           HG2      GLU  38  14.046   2.550   2.833
  315   2HG   GLU  38           HG3      GLU  38  12.909   1.194   2.791
  316    H    HIS  39           HN       HIS  39   9.546   3.065   4.511
  317    HA   HIS  39           HA       HIS  39   8.409   5.489   3.822
  318   1HB   HIS  39           HB2      HIS  39   7.181   3.412   3.822
  319   2HB   HIS  39           HB3      HIS  39   7.263   3.306   5.583
  320    HD1  HIS  39           HND      HIS  39   4.990   3.996   6.627
  321    HD2  HIS  39           HD       HIS  39   5.880   5.891   2.972
  322    HE1  HIS  39           HE       HIS  39   2.979   5.429   6.039
  323    HA   PRO  40           HA       PRO  40   9.573   7.631   7.662
  324   1HB   PRO  40           HB2      PRO  40   8.777  10.176   7.061
  325   2HB   PRO  40           HB3      PRO  40  10.229   9.412   6.351
  326   1HG   PRO  40           HG2      PRO  40   7.462   9.578   5.139
  327   2HG   PRO  40           HG3      PRO  40   9.014  10.022   4.366
  328   1HD   PRO  40           HD2      PRO  40   7.856   7.617   3.948
  329   2HD   PRO  40           HD3      PRO  40   9.633   7.736   4.124
  330    H    GLY  41           H        GLY  41   6.352   7.547   6.196
  331   1HA   GLY  41           HA1      GLY  41   4.856   8.435   8.485
  332   2HA   GLY  41           HA2      GLY  41   4.283   7.430   7.147
  333    H    GLY  42           H        GLY  42   6.835   5.641   8.124
  334   1HA   GLY  42           HA1      GLY  42   7.267   4.327   9.982
  335   2HA   GLY  42           HA2      GLY  42   5.597   4.449  10.545
  336    H    GLU  43           H        GLU  43   7.473   2.128   9.848
  337    HA   GLU  43           HA       GLU  43   6.281   0.608   7.766
  338   1HB   GLU  43           HB2      GLU  43   7.231  -1.325   8.938
  339   2HB   GLU  43           HB3      GLU  43   8.415  -0.029   8.733
  340   1HG   GLU  43           HG2      GLU  43   8.178   0.592  11.121
  341   2HG   GLU  43           HG3      GLU  43   6.991  -0.716  11.345
  342    H    ALA  44           H        ALA  44   5.623   0.839  11.249
  343    HA   ALA  44           HA       ALA  44   3.708  -1.146  11.496
  344   1HB   ALA  44           HB1      ALA  44   3.856   1.488  13.030
  345   2HB   ALA  44           HB2      ALA  44   2.984   0.028  13.544
  346   3HB   ALA  44           HB3      ALA  44   4.753  -0.001  13.403
  347    H    VAL  45           H        VAL  45   3.163   2.304  10.759
  348    HA   VAL  45           HA       VAL  45   0.339   2.264  10.587
  349    HB   VAL  45           HB       VAL  45   2.466   3.973   9.231
  350   1HG1  VAL  45          HG11      VAL  45  -0.543   4.416   9.337
  351   2HG1  VAL  45          HG12      VAL  45   0.656   5.638   8.870
  352   3HG1  VAL  45          HG13      VAL  45   0.461   4.186   7.881
  353   1HG2  VAL  45          HG21      VAL  45   1.801   5.621  10.969
  354   2HG2  VAL  45          HG22      VAL  45   0.649   4.452  11.640
  355   3HG2  VAL  45          HG23      VAL  45   2.394   4.131  11.711
  356    H    LEU  46           H        LEU  46   2.798   1.870   7.959
  357    HA   LEU  46           HA       LEU  46   0.915   1.274   5.923
  358   1HB   LEU  46           HB2      LEU  46   3.849   0.768   6.362
  359   2HB   LEU  46           HB3      LEU  46   3.060  -0.249   5.161
  360    HG   LEU  46           HG       LEU  46   2.938   2.782   5.094
  361   1HD1  LEU  46          HD11      LEU  46   4.627   2.592   3.294
  362   2HD1  LEU  46          HD12      LEU  46   5.264   1.892   4.798
  363   3HD1  LEU  46          HD13      LEU  46   4.681   0.831   3.504
  364   1HD2  LEU  46          HD21      LEU  46   2.224   0.624   3.057
  365   2HD2  LEU  46          HD22      LEU  46   1.079   1.734   3.838
  366   3HD2  LEU  46          HD23      LEU  46   2.282   2.365   2.716
  367    H    ARG  47           H        ARG  47   2.507  -0.870   8.291
  368    HA   ARG  47           HA       ARG  47   1.720  -3.270   7.014
  369   1HB   ARG  47           HB2      ARG  47   3.535  -2.889   8.823
  370   2HB   ARG  47           HB3      ARG  47   2.226  -3.037   9.989
  371   1HG   ARG  47           HG2      ARG  47   2.424  -5.275   9.843
  372   2HG   ARG  47           HG3      ARG  47   1.758  -5.192   8.224
  373   1HD   ARG  47           HD2      ARG  47   3.696  -6.036   7.426
  374   2HD   ARG  47           HD3      ARG  47   4.470  -4.528   7.795
  375    HE   ARG  47           HE       ARG  47   5.485  -5.438   9.664
  376   1HH1  ARG  47          HH11      ARG  47   5.132  -8.708  10.998
  377   2HH1  ARG  47          HH12      ARG  47   6.066  -7.242  11.053
  378   1HH2  ARG  47          HH21      ARG  47   3.481  -8.966   9.288
  379   2HH2  ARG  47          HH22      ARG  47   2.858  -7.519   8.552
  380    H    ALA  48           H        ALA  48   0.363  -1.354   9.693
  381    HA   ALA  48           HA       ALA  48  -1.811  -2.970  10.480
  382   1HB   ALA  48           HB1      ALA  48  -1.431   0.055  10.445
  383   2HB   ALA  48           HB2      ALA  48  -2.692  -0.802  11.369
  384   3HB   ALA  48           HB3      ALA  48  -0.969  -1.052  11.748
  385    H    GLN  49           H        GLN  49  -1.600  -0.362   8.011
  386    HA   GLN  49           HA       GLN  49  -4.343  -0.727   7.123
  387   1HB   GLN  49           HB2      GLN  49  -1.915   0.909   6.374
  388   2HB   GLN  49           HB3      GLN  49  -3.267   0.805   5.251
  389   1HG   GLN  49           HG2      GLN  49  -3.570   2.756   6.619
  390   2HG   GLN  49           HG3      GLN  49  -4.852   1.579   6.918
  391   1HE2  GLN  49          HE21      GLN  49  -2.431   3.553   8.396
  392   2HE2  GLN  49          HE22      GLN  49  -2.628   2.912  10.018
  393    H    ALA  50           H        ALA  50  -1.483  -2.503   6.513
  394    HA   ALA  50           HA       ALA  50  -1.785  -3.025   3.778
  395   1HB   ALA  50           HB1      ALA  50  -0.257  -4.820   4.065
  396   2HB   ALA  50           HB2      ALA  50   0.176  -3.501   5.175
  397   3HB   ALA  50           HB3      ALA  50  -0.639  -4.956   5.796
  398    H    GLY  51           H        GLY  51  -2.476  -4.942   2.678
  399   1HA   GLY  51           HA1      GLY  51  -3.583  -7.051   2.660
  400   2HA   GLY  51           HA2      GLY  51  -4.638  -6.557   3.991
  401    H    GLY  52           H        GLY  52  -5.084  -3.775   2.755
  402   1HA   GLY  52           HA1      GLY  52  -6.145  -3.693   0.268
  403   2HA   GLY  52           HA2      GLY  52  -7.366  -4.645   1.155
  404    H    ASP  53           H        ASP  53  -8.696  -2.769   0.632
  405    HA   ASP  53           HA       ASP  53  -9.120  -0.458   0.696
  406   1HB   ASP  53           HB2      ASP  53 -10.924  -1.883   1.569
  407   2HB   ASP  53           HB3      ASP  53 -10.261  -1.716   3.206
  408    H    ALA  54           H        ALA  54  -6.932   0.409   0.981
  409    HA   ALA  54           HA       ALA  54  -6.755   1.869   3.603
  410   1HB   ALA  54           HB1      ALA  54  -4.503   1.062   1.731
  411   2HB   ALA  54           HB2      ALA  54  -4.353   2.074   3.189
  412   3HB   ALA  54           HB3      ALA  54  -4.839   0.365   3.331
  413    H    THR  55           H        THR  55  -8.204   2.293   0.871
  414    HA   THR  55           HA       THR  55  -6.746   4.379  -0.466
  415    HB   THR  55           HB       THR  55  -9.717   3.673  -0.523
  416    HG1  THR  55           HG1      THR  55  -7.886   2.132  -1.232
  417   1HG2  THR  55          HG21      THR  55  -7.934   5.337  -2.354
  418   2HG2  THR  55          HG22      THR  55  -9.590   4.819  -2.763
  419   3HG2  THR  55          HG23      THR  55  -9.316   5.941  -1.418
  420    H    ALA  56           H        ALA  56  -9.506   4.435   1.832
  421    HA   ALA  56           HA       ALA  56  -9.632   7.250   2.161
  422   1HB   ALA  56           HB1      ALA  56 -10.293   5.022   4.143
  423   2HB   ALA  56           HB2      ALA  56 -10.800   6.721   4.271
  424   3HB   ALA  56           HB3      ALA  56 -11.394   5.718   2.934
  425    H    ASN  57           H        ASN  57  -7.873   4.780   4.068
  426    HA   ASN  57           HA       ASN  57  -6.613   6.454   5.924
  427   1HB   ASN  57           HB2      ASN  57  -6.150   3.731   4.840
  428   2HB   ASN  57           HB3      ASN  57  -4.667   4.534   5.314
  429   1HD2  ASN  57          HD21      ASN  57  -7.695   3.156   6.519
  430   2HD2  ASN  57          HD22      ASN  57  -7.251   3.304   8.208
  431    H    PHE  58           H        PHE  58  -5.313   5.441   2.741
  432    HA   PHE  58           HA       PHE  58  -3.006   7.048   2.718
  433   1HB   PHE  58           HB2      PHE  58  -3.330   5.311   1.115
  434   2HB   PHE  58           HB3      PHE  58  -4.811   6.035   0.512
  435    HD1  PHE  58           HD1      PHE  58  -4.807   7.694  -1.211
  436    HD2  PHE  58           HD2      PHE  58  -1.096   6.409   0.583
  437    HE1  PHE  58           HE1      PHE  58  -3.549   8.830  -3.000
  438    HE2  PHE  58           HE2      PHE  58   0.166   7.597  -1.194
  439    HZ   PHE  58           HZ       PHE  58  -1.052   8.785  -3.001
  440    H    GLU  59           H        GLU  59  -6.220   7.901   1.169
  441    HA   GLU  59           HA       GLU  59  -5.166  10.411   0.373
  442   1HB   GLU  59           HB2      GLU  59  -7.327  10.924  -0.484
  443   2HB   GLU  59           HB3      GLU  59  -6.896   9.247  -0.820
  444   1HG   GLU  59           HG2      GLU  59  -9.105   9.007  -0.216
  445   2HG   GLU  59           HG3      GLU  59  -8.282   8.697   1.317
  446    H    ALA  60           H        ALA  60  -7.031   9.460   3.204
  447    HA   ALA  60           HA       ALA  60  -7.495  11.911   4.426
  448   1HB   ALA  60           HB1      ALA  60  -8.269   9.794   5.358
  449   2HB   ALA  60           HB2      ALA  60  -6.604   9.302   5.727
  450   3HB   ALA  60           HB3      ALA  60  -7.331  10.683   6.572
  451    H    VAL  61           H        VAL  61  -4.373  10.190   4.098
  452    HA   VAL  61           HA       VAL  61  -3.030  12.611   5.233
  453    HB   VAL  61           HB       VAL  61  -2.643  10.604   6.560
  454   1HG1  VAL  61          HG11      VAL  61  -1.355   8.761   5.880
  455   2HG1  VAL  61          HG12      VAL  61  -2.623   8.911   4.661
  456   3HG1  VAL  61          HG13      VAL  61  -0.978   9.460   4.305
  457   1HG2  VAL  61          HG21      VAL  61  -0.253  10.886   6.786
  458   2HG2  VAL  61          HG22      VAL  61  -0.125  11.619   5.183
  459   3HG2  VAL  61          HG23      VAL  61  -1.007  12.456   6.477
  460    H    GLY  62           H        GLY  62  -4.141  12.890   2.879
  461   1HA   GLY  62           HA1      GLY  62  -3.246  12.459   0.491
  462   2HA   GLY  62           HA2      GLY  62  -3.451  14.120   1.053
  463    H    HIS  63           HN       HIS  63  -1.225  11.680   0.134
  464    HA   HIS  63           HA       HIS  63   1.196  12.751   1.138
  465   1HB   HIS  63           HB2      HIS  63   0.487  10.767  -1.066
  466   2HB   HIS  63           HB3      HIS  63   2.136  11.116  -0.571
  467    HD1  HIS  63           HND      HIS  63  -1.039   9.556   1.092
  468    HD2  HIS  63           HD       HIS  63   3.128   9.890   1.322
  469    HE1  HIS  63           HE       HIS  63  -0.288   7.738   2.677
  470    H    SER  64           H        SER  64   3.090  13.316  -0.296
  471    HA   SER  64           HA       SER  64   2.441  15.679  -1.842
  472   1HB   SER  64           HB2      SER  64   4.443  15.442  -0.356
  473   2HB   SER  64           HB3      SER  64   5.128  14.292  -1.515
  474    HG   SER  64           HG       SER  64   5.821  16.484  -1.840
  475    H    THR  65           H        THR  65   3.985  15.907  -3.885
  476    HA   THR  65           HA       THR  65   2.619  14.432  -6.022
  477    HB   THR  65           HB       THR  65   4.277  15.795  -7.439
  478    HG1  THR  65           HG1      THR  65   4.918  17.224  -5.103
  479   1HG2  THR  65          HG21      THR  65   3.273  17.997  -6.942
  480   2HG2  THR  65          HG22      THR  65   2.044  16.718  -6.922
  481   3HG2  THR  65          HG23      THR  65   2.650  17.389  -5.393
  482    H    ASP  66           H        ASP  66   6.059  14.802  -5.331
  483    HA   ASP  66           HA       ASP  66   7.223  12.644  -6.604
  484   1HB   ASP  66           HB2      ASP  66   8.349  14.274  -5.022
  485   2HB   ASP  66           HB3      ASP  66   7.637  13.453  -3.650
  486    H    ALA  67           H        ALA  67   5.703  12.571  -3.462
  487    HA   ALA  67           HA       ALA  67   5.953   9.815  -2.946
  488   1HB   ALA  67           HB1      ALA  67   3.865  11.708  -1.866
  489   2HB   ALA  67           HB2      ALA  67   4.274  10.115  -1.192
  490   3HB   ALA  67           HB3      ALA  67   5.480  11.418  -1.202
  491    H    ARG  68           H        ARG  68   3.213  11.569  -4.501
  492    HA   ARG  68           HA       ARG  68   1.509   9.275  -4.859
  493   1HB   ARG  68           HB2      ARG  68   1.743  11.909  -6.348
  494   2HB   ARG  68           HB3      ARG  68   0.480  10.718  -6.675
  495   1HG   ARG  68           HG2      ARG  68  -0.611  11.071  -4.650
  496   2HG   ARG  68           HG3      ARG  68   0.847  11.517  -3.809
  497   1HD   ARG  68           HD2      ARG  68   0.020  13.537  -3.851
  498   2HD   ARG  68           HD3      ARG  68   0.626  13.685  -5.472
  499    HE   ARG  68           HE       ARG  68  -2.120  13.440  -4.460
  500   1HH1  ARG  68          HH11      ARG  68  -3.509  14.325  -7.570
  501   2HH1  ARG  68          HH12      ARG  68  -3.771  14.230  -5.860
  502   1HH2  ARG  68          HH21      ARG  68  -1.366  13.716  -8.460
  503   2HH2  ARG  68          HH22      ARG  68  -0.170  13.107  -7.354
  504    H    GLU  69           H        GLU  69   4.225  10.646  -6.736
  505    HA   GLU  69           HA       GLU  69   3.824   8.760  -8.949
  506   1HB   GLU  69           HB2      GLU  69   5.766  10.889  -8.181
  507   2HB   GLU  69           HB3      GLU  69   6.187   9.808  -9.492
  508   1HG   GLU  69           HG2      GLU  69   3.633  11.503  -9.269
  509   2HG   GLU  69           HG3      GLU  69   5.020  11.877 -10.288
  510    H    LEU  70           H        LEU  70   5.756   8.915  -6.086
  511    HA   LEU  70           HA       LEU  70   7.396   6.703  -6.515
  512   1HB   LEU  70           HB2      LEU  70   7.760   8.434  -4.828
  513   2HB   LEU  70           HB3      LEU  70   6.322   7.901  -3.964
  514    HG   LEU  70           HG       LEU  70   7.290   6.099  -2.992
  515   1HD1  LEU  70          HD11      LEU  70   7.944   5.043  -4.907
  516   2HD1  LEU  70          HD12      LEU  70   9.219   6.234  -5.294
  517   3HD1  LEU  70          HD13      LEU  70   9.427   5.114  -3.914
  518   1HD2  LEU  70          HD21      LEU  70   8.338   8.185  -2.152
  519   2HD2  LEU  70          HD22      LEU  70   9.488   6.831  -2.127
  520   3HD2  LEU  70          HD23      LEU  70   9.597   8.061  -3.399
  521    H    SER  71           H        SER  71   4.412   6.955  -4.691
  522    HA   SER  71           HA       SER  71   3.454   4.377  -4.452
  523   1HB   SER  71           HB2      SER  71   1.602   6.389  -5.765
  524   2HB   SER  71           HB3      SER  71   1.226   5.065  -4.701
  525    HG   SER  71           HG       SER  71   2.694   7.403  -3.980
  526    H    LYS  72           H        LYS  72   3.008   6.198  -7.589
  527    HA   LYS  72           HA       LYS  72   2.191   3.899  -9.039
  528   1HB   LYS  72           HB2      LYS  72   3.665   6.361 -10.077
  529   2HB   LYS  72           HB3      LYS  72   2.841   5.145 -11.046
  530   1HG   LYS  72           HG2      LYS  72   0.923   5.934  -9.102
  531   2HG   LYS  72           HG3      LYS  72   1.725   7.438  -9.566
  532   1HD   LYS  72           HD2      LYS  72   0.629   5.409 -11.567
  533   2HD   LYS  72           HD3      LYS  72  -0.322   6.767 -10.939
  534   1HE   LYS  72           HE2      LYS  72   1.085   8.412 -11.890
  535   2HE   LYS  72           HE3      LYS  72   2.404   7.282 -12.208
  536   1HZ   LYS  72           HZ1      LYS  72   1.229   7.871 -14.173
  537   2HZ   LYS  72           HZ2      LYS  72   1.046   6.261 -13.889
  538   3HZ   LYS  72           HZ3      LYS  72  -0.198   7.305 -13.582
  539    H    THR  73           H        THR  73   5.481   5.018  -8.289
  540    HA   THR  73           HA       THR  73   6.882   3.187  -9.980
  541    HB   THR  73           HB       THR  73   7.797   4.448  -7.355
  542    HG1  THR  73           HG1      THR  73   7.115   5.944  -8.969
  543   1HG2  THR  73          HG21      THR  73  10.049   4.206  -8.263
  544   2HG2  THR  73          HG22      THR  73   9.285   2.682  -7.810
  545   3HG2  THR  73          HG23      THR  73   9.402   3.142  -9.535
  546    H    PHE  74           H        PHE  74   5.290   2.823  -6.921
  547    HA   PHE  74           HA       PHE  74   6.272   0.026  -6.561
  548   1HB   PHE  74           HB2      PHE  74   4.697   1.940  -4.798
  549   2HB   PHE  74           HB3      PHE  74   4.897   0.242  -4.415
  550    HD1  PHE  74           HD1      PHE  74   6.273   3.385  -3.734
  551    HD2  PHE  74           HD2      PHE  74   7.346  -0.718  -4.526
  552    HE1  PHE  74           HE1      PHE  74   8.373   3.660  -2.428
  553    HE2  PHE  74           HE2      PHE  74   9.540  -0.354  -3.429
  554    HZ   PHE  74           HZ       PHE  74  10.067   1.855  -2.435
  555    H    ILE  75           H        ILE  75   3.985   1.345  -8.513
  556    HA   ILE  75           HA       ILE  75   1.675  -0.191  -7.752
  557    HB   ILE  75           HB       ILE  75   2.022   1.755  -9.502
  558   1HG1  ILE  75          HG12      ILE  75  -0.094  -0.388  -9.631
  559   2HG1  ILE  75          HG13      ILE  75   0.001   1.043  -8.571
  560   1HG2  ILE  75          HG21      ILE  75   3.356   0.336 -11.106
  561   2HG2  ILE  75          HG22      ILE  75   1.895  -0.661 -11.339
  562   3HG2  ILE  75          HG23      ILE  75   1.915   1.053 -11.815
  563   1HD1  ILE  75          HD11      ILE  75  -0.010   2.527 -10.514
  564   2HD1  ILE  75          HD12      ILE  75  -0.322   1.116 -11.570
  565   3HD1  ILE  75          HD13      ILE  75  -1.494   1.564 -10.320
  566    H    ILE  76           H        ILE  76   1.274  -2.364  -7.922
  567    HA   ILE  76           HA       ILE  76   3.140  -4.009  -9.627
  568    HB   ILE  76           HB       ILE  76   2.334  -5.882  -8.209
  569   1HG1  ILE  76          HG12      ILE  76   1.396  -3.758  -6.226
  570   2HG1  ILE  76          HG13      ILE  76   0.284  -4.488  -7.381
  571   1HG2  ILE  76          HG21      ILE  76   3.781  -3.659  -6.701
  572   2HG2  ILE  76          HG22      ILE  76   3.914  -5.410  -6.424
  573   3HG2  ILE  76          HG23      ILE  76   4.527  -4.710  -7.917
  574   1HD1  ILE  76          HD11      ILE  76   0.286  -5.641  -5.205
  575   2HD1  ILE  76          HD12      ILE  76   0.778  -6.716  -6.530
  576   3HD1  ILE  76          HD13      ILE  76   1.992  -6.042  -5.418
  577    H    GLY  77           H        GLY  77  -0.116  -2.822  -9.355
  578   1HA   GLY  77           HA1      GLY  77  -1.076  -3.297 -11.752
  579   2HA   GLY  77           HA2      GLY  77  -1.285  -4.912 -11.038
  580    H    GLU  78           H        GLU  78  -3.557  -4.681 -10.995
  581    HA   GLU  78           HA       GLU  78  -4.662  -2.578  -9.213
  582   1HB   GLU  78           HB2      GLU  78  -5.521  -3.324 -12.032
  583   2HB   GLU  78           HB3      GLU  78  -6.409  -2.266 -10.933
  584   1HG   GLU  78           HG2      GLU  78  -4.287  -0.825 -10.845
  585   2HG   GLU  78           HG3      GLU  78  -3.694  -1.794 -12.204
  586    H    LEU  79           H        LEU  79  -6.961  -2.871  -8.752
  587    HA   LEU  79           HA       LEU  79  -7.361  -5.363  -7.436
  588   1HB   LEU  79           HB2      LEU  79  -8.307  -3.198  -6.708
  589   2HB   LEU  79           HB3      LEU  79  -9.221  -3.106  -8.217
  590    HG   LEU  79           HG       LEU  79 -10.350  -5.350  -7.452
  591   1HD1  LEU  79          HD11      LEU  79 -10.413  -5.676  -5.019
  592   2HD1  LEU  79          HD12      LEU  79  -8.747  -5.853  -5.597
  593   3HD1  LEU  79          HD13      LEU  79  -9.257  -4.346  -4.802
  594   1HD2  LEU  79          HD21      LEU  79 -12.017  -4.056  -6.276
  595   2HD2  LEU  79          HD22      LEU  79 -10.837  -2.765  -5.951
  596   3HD2  LEU  79          HD23      LEU  79 -11.342  -3.153  -7.618
  597    H    HIS  80           H        HIS  80  -8.309  -7.205  -8.151
  598    HA   HIS  80           HA       HIS  80  -8.811  -7.768 -10.840
  599   1HB   HIS  80           HB2      HIS  80  -8.463  -9.335  -8.824
  600   2HB   HIS  80           HB3      HIS  80 -10.211  -9.263  -8.614
  601    HD1  HIS  80           HD1      HIS  80 -11.584 -10.680 -10.500
  602    HD2  HIS  80           HD2      HIS  80  -7.402 -10.567 -10.929
  603    HE1  HIS  80           HE1      HIS  80 -11.017 -12.333 -12.309
  604    HA   PRO  81           HA       PRO  81 -12.765  -5.832 -11.527
  605   1HB   PRO  81           HB2      PRO  81 -13.516  -7.066 -13.858
  606   2HB   PRO  81           HB3      PRO  81 -12.242  -5.814 -13.766
  607   1HG   PRO  81           HG2      PRO  81 -11.883  -8.827 -13.743
  608   2HG   PRO  81           HG3      PRO  81 -11.033  -7.638 -14.779
  609   1HD   PRO  81           HD2      PRO  81  -9.918  -8.591 -12.547
  610   2HD   PRO  81           HD3      PRO  81  -9.746  -6.854 -12.935
  611    H    ASP  82           H        ASP  82 -12.338  -9.005 -10.519
  612    HA   ASP  82           HA       ASP  82 -15.136  -9.885 -10.610
  613   1HB   ASP  82           HB2      ASP  82 -13.315 -11.537 -10.590
  614   2HB   ASP  82           HB3      ASP  82 -12.758 -10.909  -8.998
  615    H    ASP  83           H        ASP  83 -12.947  -8.101  -8.458
  616    HA   ASP  83           HA       ASP  83 -14.637  -8.200  -6.107
  617   1HB   ASP  83           HB2      ASP  83 -12.228  -7.797  -5.969
  618   2HB   ASP  83           HB3      ASP  83 -12.421  -6.300  -6.907
  619    H    ARG  84           H        ARG  84 -13.995  -5.799  -8.616
  620    HA   ARG  84           HA       ARG  84 -15.519  -3.681  -7.653
  621   1HB   ARG  84           HB2      ARG  84 -14.424  -4.476 -10.334
  622   2HB   ARG  84           HB3      ARG  84 -15.669  -3.224 -10.328
  623   1HG   ARG  84           HG2      ARG  84 -14.478  -1.824  -8.830
  624   2HG   ARG  84           HG3      ARG  84 -13.261  -3.059  -8.510
  625   1HD   ARG  84           HD2      ARG  84 -13.797  -1.920 -11.274
  626   2HD   ARG  84           HD3      ARG  84 -12.657  -1.144 -10.151
  627    HE   ARG  84           HE       ARG  84 -11.773  -3.742 -10.194
  628   1HH1  ARG  84          HH11      ARG  84  -9.673  -3.580 -13.047
  629   2HH1  ARG  84          HH12      ARG  84  -9.871  -4.265 -11.468
  630   1HH2  ARG  84          HH21      ARG  84 -11.116  -1.850 -13.753
  631   2HH2  ARG  84          HH22      ARG  84 -12.438  -1.380 -12.728
  632    HHA  HEM 201           HGM      HEM 201   4.755  10.926   5.258
  633    HHB  HEM 201           HDM      HEM 201   5.824   7.590  -0.185
  634    HHC  HEM 201           HAM      HEM 201   0.677   3.951   1.107
  635    HHD  HEM 201           HBM      HEM 201   0.053   6.820   6.854
  636   1HMA  HEM 201          HM81      HEM 201   8.212   9.560   1.001
  637   2HMA  HEM 201          HM82      HEM 201   6.983   9.464  -0.278
  638   3HMA  HEM 201          HM83      HEM 201   7.253  10.983   0.552
  639   1HAA  HEM 201          HAA1      HEM 201   6.649  11.755   4.231
  640   2HAA  HEM 201          HAA2      HEM 201   7.337  11.878   2.621
  641   1HBA  HEM 201          HBA1      HEM 201   5.771  13.726   3.182
  642   2HBA  HEM 201          HBA2      HEM 201   4.451  12.568   3.333
  643   1HMB  HEM 201          HM11      HEM 201   4.798   6.536  -2.287
  644   2HMB  HEM 201          HM12      HEM 201   5.789   5.278  -1.497
  645   3HMB  HEM 201          HM13      HEM 201   4.371   4.824  -2.448
  646    HAB  HEM 201          HT2A      HEM 201   2.099   2.941  -0.970
  647   1HBB  HEM 201          HV2C      HEM 201   0.880   5.467  -2.066
  648   2HBB  HEM 201          HV2T      HEM 201   0.644   3.714  -2.670
  649   1HMC  HEM 201          HM31      HEM 201  -1.525   2.674   3.915
  650   2HMC  HEM 201          HM32      HEM 201  -2.191   3.797   2.716
  651   3HMC  HEM 201          HM33      HEM 201  -0.801   2.767   2.307
  652    HAC  HEM 201          HT4A      HEM 201  -1.378   3.830   6.449
  653   1HBC  HEM 201          HV4C      HEM 201  -2.545   6.548   5.645
  654   2HBC  HEM 201          HV4T      HEM 201  -2.898   5.587   7.203
  655   1HMD  HEM 201          HM51      HEM 201   1.054   9.895   8.880
  656   2HMD  HEM 201          HM52      HEM 201  -0.026   8.666   8.230
  657   3HMD  HEM 201          HM53      HEM 201   1.442   8.176   9.111
  658   1HAD  HEM 201          HAD1      HEM 201   3.233  10.601   8.730
  659   2HAD  HEM 201          HAD2      HEM 201   4.495  10.846   7.555
  660   1HBD  HEM 201          HBD1      HEM 201   2.232  12.215   6.510
  661   2HBD  HEM 201          HBD2      HEM 201   2.252  12.564   8.244
  Start of MODEL    3
    1   1H    ALA   3           H1       ALA   3   0.767 -10.804 -18.502
    2   2H    ALA   3           H2       ALA   3   0.152 -11.614 -19.831
    3   3H    ALA   3           H3       ALA   3   1.207 -10.337 -20.009
    4    HA   ALA   3           HA       ALA   3  -1.564 -10.312 -19.110
    5   1HB   ALA   3           HB1      ALA   3  -1.148  -9.822 -21.494
    6   2HB   ALA   3           HB2      ALA   3  -1.786  -8.406 -20.655
    7   3HB   ALA   3           HB3      ALA   3  -0.053  -8.492 -21.043
    8    H    VAL   4           H        VAL   4  -1.721  -7.441 -18.853
    9    HA   VAL   4           HA       VAL   4  -0.499  -6.980 -16.252
   10    HB   VAL   4           HB       VAL   4  -1.685  -5.196 -17.417
   11   1HG1  VAL   4          HG11      VAL   4  -3.731  -7.193 -17.973
   12   2HG1  VAL   4          HG12      VAL   4  -4.440  -5.826 -17.118
   13   3HG1  VAL   4          HG13      VAL   4  -3.535  -5.559 -18.612
   14   1HG2  VAL   4          HG21      VAL   4  -3.112  -4.400 -15.635
   15   2HG2  VAL   4          HG22      VAL   4  -3.248  -6.026 -14.942
   16   3HG2  VAL   4          HG23      VAL   4  -1.679  -5.186 -14.955
   17    H    LYS   5           H        LYS   5  -1.449  -7.786 -14.255
   18    HA   LYS   5           HA       LYS   5  -3.620  -9.773 -14.479
   19   1HB   LYS   5           HB2      LYS   5  -1.582 -11.114 -14.703
   20   2HB   LYS   5           HB3      LYS   5  -0.927 -10.402 -13.215
   21   1HG   LYS   5           HG2      LYS   5  -2.886 -11.336 -11.951
   22   2HG   LYS   5           HG3      LYS   5  -3.489 -12.065 -13.454
   23   1HD   LYS   5           HD2      LYS   5  -1.368 -13.377 -13.638
   24   2HD   LYS   5           HD3      LYS   5  -0.797 -12.612 -12.135
   25   1HE   LYS   5           HE2      LYS   5  -2.831 -13.558 -10.955
   26   2HE   LYS   5           HE3      LYS   5  -3.243 -14.439 -12.433
   27   1HZ   LYS   5           HZ1      LYS   5  -1.747 -15.977 -11.929
   28   2HZ   LYS   5           HZ2      LYS   5  -0.555 -14.890 -11.599
   29   3HZ   LYS   5           HZ3      LYS   5  -1.641 -15.301 -10.436
   30    H    TYR   6           H        TYR   6  -4.973  -8.493 -13.427
   31    HA   TYR   6           HA       TYR   6  -4.403  -6.824 -11.186
   32   1HB   TYR   6           HB2      TYR   6  -6.994  -8.209 -11.880
   33   2HB   TYR   6           HB3      TYR   6  -6.772  -6.671 -11.023
   34    HD1  TYR   6           HD1      TYR   6  -7.737  -8.085 -14.094
   35    HD2  TYR   6           HD2      TYR   6  -5.301  -4.930 -12.499
   36    HE1  TYR   6           HE1      TYR   6  -8.000  -6.822 -16.208
   37    HE2  TYR   6           HE2      TYR   6  -5.539  -3.659 -14.629
   38    HH   TYR   6           HH       TYR   6  -6.303  -3.736 -16.799
   39    H    TYR   7           H        TYR   7  -5.280  -7.188  -8.968
   40    HA   TYR   7           HA       TYR   7  -5.023 -10.061  -8.132
   41   1HB   TYR   7           HB2      TYR   7  -4.096  -7.655  -6.566
   42   2HB   TYR   7           HB3      TYR   7  -3.886  -9.358  -6.162
   43    HD1  TYR   7           HD1      TYR   7  -2.501  -6.504  -7.866
   44    HD2  TYR   7           HD2      TYR   7  -2.451 -10.812  -7.778
   45    HE1  TYR   7           HE1      TYR   7  -0.362  -6.500  -9.065
   46    HE2  TYR   7           HE2      TYR   7  -0.287 -10.804  -9.007
   47    HH   TYR   7           HH       TYR   7   1.336  -7.740  -9.938
   48    H    THR   8           H        THR   8  -6.525 -10.806  -6.743
   49    HA   THR   8           HA       THR   8  -9.014  -9.321  -6.470
   50    HB   THR   8           HB       THR   8  -9.772 -11.397  -5.389
   51    HG1  THR   8           HG1      THR   8  -7.520 -12.921  -5.643
   52   1HG2  THR   8          HG21      THR   8  -8.980 -13.071  -7.280
   53   2HG2  THR   8          HG22      THR   8 -10.041 -11.705  -7.652
   54   3HG2  THR   8          HG23      THR   8  -8.317 -11.615  -8.033
   55    H    LEU   9           H        LEU   9  -9.996  -8.776  -4.359
   56    HA   LEU   9           HA       LEU   9  -8.329  -7.603  -2.484
   57   1HB   LEU   9           HB2      LEU   9 -11.100  -8.064  -2.808
   58   2HB   LEU   9           HB3      LEU   9 -10.742  -8.788  -1.291
   59    HG   LEU   9           HG       LEU   9 -10.044  -5.922  -2.086
   60   1HD1  LEU   9          HD11      LEU   9 -12.054  -6.779   0.022
   61   2HD1  LEU   9          HD12      LEU   9 -11.805  -5.172  -0.699
   62   3HD1  LEU   9          HD13      LEU   9 -12.512  -6.475  -1.664
   63   1HD2  LEU   9          HD21      LEU   9  -9.631  -5.659   0.432
   64   2HD2  LEU   9          HD22      LEU   9  -9.614  -7.429   0.528
   65   3HD2  LEU   9          HD23      LEU   9  -8.392  -6.573  -0.437
   66    H    GLU  10           H        GLU  10  -9.486 -10.963  -2.709
   67    HA   GLU  10           HA       GLU  10  -8.472 -11.925  -0.270
   68   1HB   GLU  10           HB2      GLU  10 -10.018 -13.103  -1.892
   69   2HB   GLU  10           HB3      GLU  10  -8.604 -13.510  -2.851
   70   1HG   GLU  10           HG2      GLU  10  -9.122 -15.375  -1.386
   71   2HG   GLU  10           HG3      GLU  10  -7.597 -14.660  -0.867
   72    H    GLU  11           H        GLU  11  -6.961 -12.213  -3.540
   73    HA   GLU  11           HA       GLU  11  -4.528 -13.270  -2.718
   74   1HB   GLU  11           HB2      GLU  11  -5.488 -11.810  -5.109
   75   2HB   GLU  11           HB3      GLU  11  -3.814 -11.449  -4.759
   76   1HG   GLU  11           HG2      GLU  11  -3.870 -13.361  -6.230
   77   2HG   GLU  11           HG3      GLU  11  -3.312 -13.898  -4.640
   78    H    ILE  12           H        ILE  12  -5.408  -9.821  -2.969
   79    HA   ILE  12           HA       ILE  12  -2.902  -8.825  -2.044
   80    HB   ILE  12           HB       ILE  12  -5.663  -7.582  -1.862
   81   1HG1  ILE  12          HG12      ILE  12  -3.593  -7.061  -4.045
   82   2HG1  ILE  12          HG13      ILE  12  -4.755  -8.349  -4.230
   83   1HG2  ILE  12          HG21      ILE  12  -4.575  -5.450  -1.682
   84   2HG2  ILE  12          HG22      ILE  12  -3.752  -6.469  -0.507
   85   3HG2  ILE  12          HG23      ILE  12  -2.992  -6.139  -2.068
   86   1HD1  ILE  12          HD11      ILE  12  -6.629  -6.773  -3.927
   87   2HD1  ILE  12          HD12      ILE  12  -5.449  -5.443  -3.830
   88   3HD1  ILE  12          HD13      ILE  12  -5.619  -6.381  -5.317
   89    H    GLN  13           H        GLN  13  -5.949  -9.649  -0.243
   90    HA   GLN  13           HA       GLN  13  -5.222  -8.835   2.333
   91   1HB   GLN  13           HB2      GLN  13  -7.075 -10.950   1.222
   92   2HB   GLN  13           HB3      GLN  13  -6.705 -10.917   2.912
   93   1HG   GLN  13           HG2      GLN  13  -7.451  -8.228   2.062
   94   2HG   GLN  13           HG3      GLN  13  -8.644  -9.405   1.522
   95   1HE2  GLN  13          HE21      GLN  13  -7.194  -7.939   4.399
   96   2HE2  GLN  13          HE22      GLN  13  -8.326  -8.671   5.533
   97    H    LYS  14           H        LYS  14  -4.500 -11.895   0.603
   98    HA   LYS  14           HA       LYS  14  -3.388 -13.303   2.765
   99   1HB   LYS  14           HB2      LYS  14  -2.561 -13.330  -0.155
  100   2HB   LYS  14           HB3      LYS  14  -2.068 -14.537   1.016
  101   1HG   LYS  14           HG2      LYS  14  -5.020 -13.950   0.558
  102   2HG   LYS  14           HG3      LYS  14  -4.148 -14.948  -0.573
  103   1HD   LYS  14           HD2      LYS  14  -3.756 -15.652   2.306
  104   2HD   LYS  14           HD3      LYS  14  -5.433 -15.744   1.769
  105   1HE   LYS  14           HE2      LYS  14  -5.111 -17.567   0.442
  106   2HE   LYS  14           HE3      LYS  14  -3.549 -17.005  -0.162
  107   1HZ   LYS  14           HZ1      LYS  14  -3.061 -18.845   1.039
  108   2HZ   LYS  14           HZ2      LYS  14  -2.662 -17.628   2.066
  109   3HZ   LYS  14           HZ3      LYS  14  -4.056 -18.481   2.301
  110    H    HIS  15           H        HIS  15  -2.095 -10.516   1.107
  111    HA   HIS  15           HA       HIS  15   0.620 -10.807   2.289
  112   1HB   HIS  15           HB2      HIS  15  -0.519  -8.809   0.294
  113   2HB   HIS  15           HB3      HIS  15   1.109  -8.803   0.919
  114    HD1  HIS  15           HD1      HIS  15   2.389  -9.315  -1.281
  115    HD2  HIS  15           HD2      HIS  15  -0.830 -11.918  -0.562
  116    HE1  HIS  15           HE1      HIS  15   2.491 -11.138  -3.061
  117    H    ASN  16           H        ASN  16  -0.474 -10.644   4.433
  118    HA   ASN  16           HA       ASN  16  -0.655  -7.790   5.291
  119   1HB   ASN  16           HB2      ASN  16  -2.651  -8.110   6.534
  120   2HB   ASN  16           HB3      ASN  16  -2.993  -8.733   4.928
  121   1HD2  ASN  16          HD21      ASN  16  -2.676 -11.147   4.667
  122   2HD2  ASN  16          HD22      ASN  16  -3.049 -12.214   5.998
  123    H    ASN  17           H        ASN  17   1.578  -9.715   5.637
  124    HA   ASN  17           HA       ASN  17   1.979  -9.657   8.439
  125   1HB   ASN  17           HB2      ASN  17   0.332 -11.938   7.473
  126   2HB   ASN  17           HB3      ASN  17   1.843 -12.509   8.153
  127   1HD2  ASN  17          HD21      ASN  17  -0.159 -13.468   9.465
  128   2HD2  ASN  17          HD22      ASN  17  -0.429 -12.617  10.973
  129    H    SER  18           H        SER  18   3.836 -11.164   9.051
  130    HA   SER  18           HA       SER  18   5.966 -11.783   8.823
  131   1HB   SER  18           HB2      SER  18   5.176 -12.530   5.969
  132   2HB   SER  18           HB3      SER  18   6.686 -12.968   6.782
  133    HG   SER  18           HG       SER  18   5.097 -14.599   7.015
  134    H    LYS  19           H        LYS  19   5.264 -10.281   5.692
  135    HA   LYS  19           HA       LYS  19   6.657  -7.879   6.253
  136   1HB   LYS  19           HB2      LYS  19   8.182 -10.009   4.816
  137   2HB   LYS  19           HB3      LYS  19   8.043  -8.498   3.924
  138   1HG   LYS  19           HG2      LYS  19   8.848  -7.268   6.022
  139   2HG   LYS  19           HG3      LYS  19   9.192  -8.875   6.688
  140   1HD   LYS  19           HD2      LYS  19  10.380  -9.141   4.266
  141   2HD   LYS  19           HD3      LYS  19  10.455  -7.377   4.370
  142   1HE   LYS  19           HE2      LYS  19  12.027  -7.401   6.083
  143   2HE   LYS  19           HE3      LYS  19  11.388  -8.879   6.811
  144   1HZ   LYS  19           HZ1      LYS  19  12.361 -10.149   5.056
  145   2HZ   LYS  19           HZ2      LYS  19  13.021  -8.798   4.377
  146   3HZ   LYS  19           HZ3      LYS  19  13.500  -9.294   5.870
  147    H    SER  20           H        SER  20   5.401 -10.130   3.742
  148    HA   SER  20           HA       SER  20   4.909  -8.473   1.614
  149   1HB   SER  20           HB2      SER  20   3.008 -10.070   1.191
  150   2HB   SER  20           HB3      SER  20   4.578 -10.828   1.478
  151    HG   SER  20           HG       SER  20   2.720 -10.352   3.555
  152    H    THR  21           H        THR  21   4.267  -6.424   2.031
  153    HA   THR  21           HA       THR  21   1.622  -5.956   3.339
  154    HB   THR  21           HB       THR  21   4.220  -4.414   3.446
  155    HG1  THR  21           HG1      THR  21   3.931  -4.744   5.569
  156   1HG2  THR  21          HG21      THR  21   2.571  -2.809   4.837
  157   2HG2  THR  21          HG22      THR  21   2.935  -2.541   3.122
  158   3HG2  THR  21          HG23      THR  21   1.435  -3.338   3.586
  159    H    TRP  22           H        TRP  22   0.451  -6.181   1.513
  160    HA   TRP  22           HA       TRP  22   0.843  -4.182  -0.678
  161   1HB   TRP  22           HB2      TRP  22  -0.744  -6.773  -0.531
  162   2HB   TRP  22           HB3      TRP  22  -0.818  -5.605  -1.839
  163    HD1  TRP  22           HD1      TRP  22   2.738  -6.031  -0.848
  164    HE1  TRP  22           HE1      TRP  22   3.961  -7.288  -2.661
  165    HE3  TRP  22           HE3      TRP  22  -1.314  -7.812  -3.389
  166    HZ2  TRP  22           HZ2      TRP  22   3.270  -8.846  -5.025
  167    HZ3  TRP  22           HZ3      TRP  22  -1.024  -9.251  -5.353
  168    HH2  TRP  22           HH2      TRP  22   1.273  -9.691  -6.266
  169    H    LEU  23           H        LEU  23  -1.567  -3.551  -1.445
  170    HA   LEU  23           HA       LEU  23  -3.693  -3.460   0.356
  171   1HB   LEU  23           HB2      LEU  23  -3.419  -0.961   1.005
  172   2HB   LEU  23           HB3      LEU  23  -2.626  -2.195   1.942
  173    HG   LEU  23           HG       LEU  23  -0.487  -1.708   0.475
  174   1HD1  LEU  23          HD11      LEU  23  -1.605  -0.349  -1.268
  175   2HD1  LEU  23          HD12      LEU  23  -2.062   0.799   0.021
  176   3HD1  LEU  23          HD13      LEU  23  -0.366   0.558  -0.395
  177   1HD2  LEU  23          HD21      LEU  23  -1.714  -0.099   2.674
  178   2HD2  LEU  23          HD22      LEU  23  -0.250  -1.111   2.646
  179   3HD2  LEU  23          HD23      LEU  23  -0.234   0.490   1.869
  180    H    ILE  24           H        ILE  24  -5.217  -1.630  -0.311
  181    HA   ILE  24           HA       ILE  24  -4.956  -1.174  -3.271
  182    HB   ILE  24           HB       ILE  24  -7.424  -1.686  -1.600
  183   1HG1  ILE  24          HG12      ILE  24  -6.432  -3.355  -3.933
  184   2HG1  ILE  24          HG13      ILE  24  -5.740  -3.610  -2.334
  185   1HG2  ILE  24          HG21      ILE  24  -8.607  -1.690  -3.809
  186   2HG2  ILE  24          HG22      ILE  24  -7.942  -0.102  -3.426
  187   3HG2  ILE  24          HG23      ILE  24  -7.107  -1.153  -4.591
  188   1HD1  ILE  24          HD11      ILE  24  -7.994  -3.918  -1.339
  189   2HD1  ILE  24          HD12      ILE  24  -8.691  -3.866  -2.970
  190   3HD1  ILE  24          HD13      ILE  24  -7.558  -5.155  -2.522
  191    H    LEU  25           H        LEU  25  -4.583   0.842  -3.725
  192    HA   LEU  25           HA       LEU  25  -5.847   3.099  -2.188
  193   1HB   LEU  25           HB2      LEU  25  -3.118   2.589  -3.216
  194   2HB   LEU  25           HB3      LEU  25  -3.748   4.236  -3.302
  195    HG   LEU  25           HG       LEU  25  -3.760   4.600  -1.115
  196   1HD1  LEU  25          HD11      LEU  25  -3.772   1.644  -0.791
  197   2HD1  LEU  25          HD12      LEU  25  -3.421   2.744   0.576
  198   3HD1  LEU  25          HD13      LEU  25  -4.963   2.843  -0.292
  199   1HD2  LEU  25          HD21      LEU  25  -1.520   4.017  -0.280
  200   2HD2  LEU  25          HD22      LEU  25  -1.366   2.718  -1.466
  201   3HD2  LEU  25          HD23      LEU  25  -1.444   4.410  -1.999
  202    H    HIS  26           H        HIS  26  -7.607   3.418  -3.385
  203    HA   HIS  26           HA       HIS  26  -8.900   4.064  -5.137
  204   1HB   HIS  26           HB2      HIS  26  -6.363   5.080  -6.465
  205   2HB   HIS  26           HB3      HIS  26  -8.020   5.602  -6.763
  206    HD1  HIS  26           HD1      HIS  26  -9.070   7.308  -4.925
  207    HD2  HIS  26           HD2      HIS  26  -5.121   6.012  -4.300
  208    HE1  HIS  26           HE1      HIS  26  -8.074   8.840  -3.139
  209    H    TYR  27           H        TYR  27  -8.331   1.417  -5.184
  210    HA   TYR  27           HA       TYR  27  -8.503  -0.420  -6.455
  211   1HB   TYR  27           HB2      TYR  27  -8.730   1.292  -8.949
  212   2HB   TYR  27           HB3      TYR  27  -9.343  -0.323  -8.669
  213    HD1  TYR  27           HD1      TYR  27 -10.832  -0.394  -6.313
  214    HD2  TYR  27           HD2      TYR  27 -10.395   2.978  -8.954
  215    HE1  TYR  27           HE1      TYR  27 -12.974   0.500  -5.498
  216    HE2  TYR  27           HE2      TYR  27 -12.520   3.920  -8.081
  217    HH   TYR  27           HH       TYR  27 -14.455   2.253  -5.582
  218    H    LYS  28           H        LYS  28  -5.792   1.262  -6.262
  219    HA   LYS  28           HA       LYS  28  -4.335  -0.376  -8.289
  220   1HB   LYS  28           HB2      LYS  28  -3.489   2.266  -7.078
  221   2HB   LYS  28           HB3      LYS  28  -2.678   1.306  -8.335
  222   1HG   LYS  28           HG2      LYS  28  -5.065   1.438  -9.496
  223   2HG   LYS  28           HG3      LYS  28  -5.307   2.821  -8.439
  224   1HD   LYS  28           HD2      LYS  28  -4.135   4.158  -9.783
  225   2HD   LYS  28           HD3      LYS  28  -2.736   3.069  -9.790
  226   1HE   LYS  28           HE2      LYS  28  -3.871   1.619 -11.502
  227   2HE   LYS  28           HE3      LYS  28  -5.295   2.673 -11.456
  228   1HZ   LYS  28           HZ1      LYS  28  -2.829   2.964 -12.815
  229   2HZ   LYS  28           HZ2      LYS  28  -4.318   3.564 -13.164
  230   3HZ   LYS  28           HZ3      LYS  28  -3.360   4.358 -12.070
  231    H    VAL  29           H        VAL  29  -3.116  -1.919  -7.547
  232    HA   VAL  29           HA       VAL  29  -2.656  -2.156  -4.693
  233    HB   VAL  29           HB       VAL  29  -1.743  -4.115  -6.800
  234   1HG1  VAL  29          HG11      VAL  29  -1.901  -5.704  -4.974
  235   2HG1  VAL  29          HG12      VAL  29  -1.001  -4.314  -4.347
  236   3HG1  VAL  29          HG13      VAL  29  -2.705  -4.512  -3.929
  237   1HG2  VAL  29          HG21      VAL  29  -4.511  -3.819  -5.603
  238   2HG2  VAL  29          HG22      VAL  29  -4.048  -3.842  -7.323
  239   3HG2  VAL  29          HG23      VAL  29  -3.894  -5.307  -6.357
  240    H    TYR  30           H        TYR  30  -0.749  -1.873  -3.701
  241    HA   TYR  30           HA       TYR  30   1.678  -1.118  -5.282
  242   1HB   TYR  30           HB2      TYR  30   0.409   0.112  -2.809
  243   2HB   TYR  30           HB3      TYR  30   2.030   0.514  -3.346
  244    HD1  TYR  30           HD1      TYR  30  -1.327   1.489  -3.486
  245    HD2  TYR  30           HD2      TYR  30   2.125   1.152  -5.987
  246    HE1  TYR  30           HE1      TYR  30  -2.291   3.205  -5.084
  247    HE2  TYR  30           HE2      TYR  30   1.045   2.615  -7.677
  248    HH   TYR  30           HH       TYR  30  -0.623   4.099  -8.068
  249    H    ASP  31           H        ASP  31   3.323  -2.504  -4.821
  250    HA   ASP  31           HA       ASP  31   3.234  -4.043  -2.277
  251   1HB   ASP  31           HB2      ASP  31   3.905  -5.311  -4.270
  252   2HB   ASP  31           HB3      ASP  31   5.246  -4.185  -4.554
  253    H    LEU  32           H        LEU  32   3.921  -2.847  -0.569
  254    HA   LEU  32           HA       LEU  32   6.384  -1.207  -0.915
  255   1HB   LEU  32           HB2      LEU  32   4.287  -0.807   1.164
  256   2HB   LEU  32           HB3      LEU  32   5.572   0.274   0.801
  257    HG   LEU  32           HG       LEU  32   4.035  -0.095  -1.645
  258   1HD1  LEU  32          HD11      LEU  32   2.274   1.335   0.282
  259   2HD1  LEU  32          HD12      LEU  32   1.891   0.310  -1.109
  260   3HD1  LEU  32          HD13      LEU  32   2.287  -0.435   0.419
  261   1HD2  LEU  32          HD21      LEU  32   4.213   2.189  -1.819
  262   2HD2  LEU  32          HD22      LEU  32   4.347   2.435  -0.051
  263   3HD2  LEU  32          HD23      LEU  32   5.673   1.703  -0.979
  264    H    THR  33           H        THR  33   5.890  -4.185  -0.316
  265    HA   THR  33           HA       THR  33   6.236  -4.674   2.415
  266    HB   THR  33           HB       THR  33   5.660  -6.317   0.613
  267    HG1  THR  33           HG1      THR  33   6.557  -6.755   2.827
  268   1HG2  THR  33          HG21      THR  33   8.611  -6.746   0.272
  269   2HG2  THR  33          HG22      THR  33   7.249  -7.527  -0.566
  270   3HG2  THR  33          HG23      THR  33   7.648  -5.834  -0.924
  271    H    LYS  34           H        LYS  34   8.629  -3.968  -0.033
  272    HA   LYS  34           HA       LYS  34  10.840  -3.941   2.007
  273   1HB   LYS  34           HB2      LYS  34  10.802  -4.302  -1.009
  274   2HB   LYS  34           HB3      LYS  34  12.246  -3.701  -0.198
  275   1HG   LYS  34           HG2      LYS  34  12.859  -5.712   0.493
  276   2HG   LYS  34           HG3      LYS  34  11.324  -5.935   1.332
  277   1HD   LYS  34           HD2      LYS  34  10.367  -6.558  -1.013
  278   2HD   LYS  34           HD3      LYS  34  12.053  -6.740  -1.503
  279   1HE   LYS  34           HE2      LYS  34  12.445  -8.475   0.142
  280   2HE   LYS  34           HE3      LYS  34  10.943  -8.108   1.006
  281   1HZ   LYS  34           HZ1      LYS  34   9.691  -8.900  -0.841
  282   2HZ   LYS  34           HZ2      LYS  34  11.056  -9.270  -1.685
  283   3HZ   LYS  34           HZ3      LYS  34  10.705 -10.069  -0.290
  284    H    PHE  35           H        PHE  35   8.645  -2.060   1.926
  285    HA   PHE  35           HA       PHE  35  10.429   0.285   1.885
  286   1HB   PHE  35           HB2      PHE  35   8.564  -0.060  -0.093
  287   2HB   PHE  35           HB3      PHE  35   7.591   0.635   1.137
  288    HD1  PHE  35           HD1      PHE  35   7.236   2.957   0.823
  289    HD2  PHE  35           HD2      PHE  35  11.136   1.297  -0.038
  290    HE1  PHE  35           HE1      PHE  35   8.060   5.199   0.155
  291    HE2  PHE  35           HE2      PHE  35  11.938   3.513  -0.699
  292    HZ   PHE  35           HZ       PHE  35  10.393   5.473  -0.675
  293    H    LEU  36           H        LEU  36   8.876  -1.746   3.880
  294    HA   LEU  36           HA       LEU  36   7.089  -0.047   5.271
  295   1HB   LEU  36           HB2      LEU  36   8.733  -2.411   6.283
  296   2HB   LEU  36           HB3      LEU  36   7.393  -1.681   7.161
  297    HG   LEU  36           HG       LEU  36   7.064  -2.832   4.369
  298   1HD1  LEU  36          HD11      LEU  36   6.670  -4.184   7.064
  299   2HD1  LEU  36          HD12      LEU  36   6.080  -4.814   5.508
  300   3HD1  LEU  36          HD13      LEU  36   7.820  -4.637   5.786
  301   1HD2  LEU  36          HD21      LEU  36   4.906  -2.287   4.533
  302   2HD2  LEU  36          HD22      LEU  36   4.776  -2.794   6.235
  303   3HD2  LEU  36          HD23      LEU  36   5.353  -1.181   5.830
  304    H    GLU  37           H        GLU  37  10.393  -0.968   6.314
  305    HA   GLU  37           HA       GLU  37  10.591   1.036   8.296
  306   1HB   GLU  37           HB2      GLU  37  12.211  -1.113   7.318
  307   2HB   GLU  37           HB3      GLU  37  13.205   0.342   7.189
  308   1HG   GLU  37           HG2      GLU  37  12.734   0.831   9.588
  309   2HG   GLU  37           HG3      GLU  37  11.756  -0.649   9.683
  310    H    GLU  38           H        GLU  38  11.321   1.093   4.836
  311    HA   GLU  38           HA       GLU  38  12.760   3.563   4.768
  312   1HB   GLU  38           HB2      GLU  38  11.132   2.141   2.654
  313   2HB   GLU  38           HB3      GLU  38  12.233   3.444   2.338
  314   1HG   GLU  38           HG2      GLU  38  13.784   1.573   3.818
  315   2HG   GLU  38           HG3      GLU  38  12.842   0.606   2.671
  316    H    HIS  39           HN       HIS  39   9.302   2.721   4.361
  317    HA   HIS  39           HA       HIS  39   8.419   5.176   3.363
  318   1HB   HIS  39           HB2      HIS  39   7.014   3.272   3.218
  319   2HB   HIS  39           HB3      HIS  39   7.004   3.053   4.973
  320    HD1  HIS  39           HND      HIS  39   5.088   4.155   6.234
  321    HD2  HIS  39           HD       HIS  39   5.652   5.625   2.335
  322    HE1  HIS  39           HE       HIS  39   3.131   5.665   5.761
  323    HA   PRO  40           HA       PRO  40   9.136   7.418   7.223
  324   1HB   PRO  40           HB2      PRO  40   8.608   9.965   6.397
  325   2HB   PRO  40           HB3      PRO  40  10.056   9.050   5.897
  326   1HG   PRO  40           HG2      PRO  40   7.491   9.433   4.367
  327   2HG   PRO  40           HG3      PRO  40   9.166   9.584   3.758
  328   1HD   PRO  40           HD2      PRO  40   7.609   7.332   3.445
  329   2HD   PRO  40           HD3      PRO  40   9.393   7.261   3.581
  330    H    GLY  41           H        GLY  41   7.219   6.019   7.809
  331   1HA   GLY  41           HA1      GLY  41   5.192   7.744   9.066
  332   2HA   GLY  41           HA2      GLY  41   4.573   6.618   7.850
  333    H    GLY  42           H        GLY  42   7.388   5.800   9.822
  334   1HA   GLY  42           HA1      GLY  42   7.801   4.161  11.344
  335   2HA   GLY  42           HA2      GLY  42   6.303   4.696  12.107
  336    H    GLU  43           H        GLU  43   7.819   2.250  10.097
  337    HA   GLU  43           HA       GLU  43   5.801   0.785   9.013
  338   1HB   GLU  43           HB2      GLU  43   7.143  -1.186   9.335
  339   2HB   GLU  43           HB3      GLU  43   8.044   0.184   8.691
  340   1HG   GLU  43           HG2      GLU  43   9.586  -0.012  10.294
  341   2HG   GLU  43           HG3      GLU  43   8.379   0.207  11.559
  342    H    ALA  44           H        ALA  44   3.923   0.546   9.921
  343    HA   ALA  44           HA       ALA  44   3.189  -1.407  11.801
  344   1HB   ALA  44           HB1      ALA  44   4.096  -0.115  13.639
  345   2HB   ALA  44           HB2      ALA  44   3.513   1.412  12.942
  346   3HB   ALA  44           HB3      ALA  44   2.366   0.232  13.613
  347    H    VAL  45           H        VAL  45   2.297   2.074  11.216
  348    HA   VAL  45           HA       VAL  45  -0.409   1.346  10.744
  349    HB   VAL  45           HB       VAL  45   0.341   3.601  11.436
  350   1HG1  VAL  45          HG11      VAL  45   0.846   4.108   8.472
  351   2HG1  VAL  45          HG12      VAL  45   1.025   5.238   9.827
  352   3HG1  VAL  45          HG13      VAL  45   2.136   3.865   9.675
  353   1HG2  VAL  45          HG21      VAL  45  -1.538   3.397   9.047
  354   2HG2  VAL  45          HG22      VAL  45  -1.959   3.159  10.750
  355   3HG2  VAL  45          HG23      VAL  45  -1.461   4.759  10.177
  356    H    LEU  46           H        LEU  46   2.334   1.953   8.189
  357    HA   LEU  46           HA       LEU  46   0.479   1.302   6.144
  358   1HB   LEU  46           HB2      LEU  46   2.511   2.481   5.721
  359   2HB   LEU  46           HB3      LEU  46   3.491   1.243   6.525
  360    HG   LEU  46           HG       LEU  46   3.001  -0.337   4.759
  361   1HD1  LEU  46          HD11      LEU  46   1.706   2.034   3.299
  362   2HD1  LEU  46          HD12      LEU  46   1.970   0.402   2.647
  363   3HD1  LEU  46          HD13      LEU  46   0.810   0.659   3.961
  364   1HD2  LEU  46          HD21      LEU  46   4.467   0.675   3.083
  365   2HD2  LEU  46          HD22      LEU  46   4.099   2.299   3.696
  366   3HD2  LEU  46          HD23      LEU  46   5.007   1.151   4.701
  367    H    ARG  47           H        ARG  47   1.862  -0.814   8.557
  368    HA   ARG  47           HA       ARG  47   1.530  -3.215   6.877
  369   1HB   ARG  47           HB2      ARG  47   3.486  -3.020   8.236
  370   2HB   ARG  47           HB3      ARG  47   2.546  -2.859   9.714
  371   1HG   ARG  47           HG2      ARG  47   2.210  -5.279   7.892
  372   2HG   ARG  47           HG3      ARG  47   3.583  -5.163   8.993
  373   1HD   ARG  47           HD2      ARG  47   2.404  -5.765  10.767
  374   2HD   ARG  47           HD3      ARG  47   1.198  -4.499  10.482
  375    HE   ARG  47           HE       ARG  47   0.728  -6.682   8.687
  376   1HH1  ARG  47          HH11      ARG  47  -1.850  -8.094  10.650
  377   2HH1  ARG  47          HH12      ARG  47  -0.985  -8.204   9.159
  378   1HH2  ARG  47          HH21      ARG  47  -1.021  -6.685  12.361
  379   2HH2  ARG  47          HH22      ARG  47   0.370  -5.692  12.042
  380    H    ALA  48           H        ALA  48  -0.117  -1.527   9.539
  381    HA   ALA  48           HA       ALA  48  -1.792  -3.715  10.317
  382   1HB   ALA  48           HB1      ALA  48  -1.244  -1.710  11.732
  383   2HB   ALA  48           HB2      ALA  48  -2.286  -0.728  10.678
  384   3HB   ALA  48           HB3      ALA  48  -2.981  -2.061  11.625
  385    H    GLN  49           H        GLN  49  -2.165  -0.985   8.069
  386    HA   GLN  49           HA       GLN  49  -4.880  -1.783   7.309
  387   1HB   GLN  49           HB2      GLN  49  -2.944   0.443   6.812
  388   2HB   GLN  49           HB3      GLN  49  -4.026   0.150   5.493
  389   1HG   GLN  49           HG2      GLN  49  -4.960   0.630   8.361
  390   2HG   GLN  49           HG3      GLN  49  -4.819   1.874   7.108
  391   1HE2  GLN  49          HE21      GLN  49  -7.036   2.452   7.006
  392   2HE2  GLN  49          HE22      GLN  49  -8.217   1.313   6.359
  393    H    ALA  50           H        ALA  50  -1.767  -2.799   6.500
  394    HA   ALA  50           HA       ALA  50  -1.922  -3.199   3.749
  395   1HB   ALA  50           HB1      ALA  50  -0.240  -4.889   4.024
  396   2HB   ALA  50           HB2      ALA  50   0.063  -3.617   5.233
  397   3HB   ALA  50           HB3      ALA  50  -0.672  -5.160   5.716
  398    H    GLY  51           H        GLY  51  -2.408  -5.102   2.519
  399   1HA   GLY  51           HA1      GLY  51  -3.764  -6.768   1.771
  400   2HA   GLY  51           HA2      GLY  51  -3.778  -7.402   3.421
  401    H    GLY  52           H        GLY  52  -5.015  -4.373   1.853
  402   1HA   GLY  52           HA1      GLY  52  -7.754  -4.981   1.958
  403   2HA   GLY  52           HA2      GLY  52  -7.306  -4.195   3.491
  404    H    ASP  53           H        ASP  53  -8.877  -2.584   2.533
  405    HA   ASP  53           HA       ASP  53  -7.857  -0.754   0.481
  406   1HB   ASP  53           HB2      ASP  53 -10.287  -1.116   0.754
  407   2HB   ASP  53           HB3      ASP  53 -10.195  -0.522   2.423
  408    H    ALA  54           H        ALA  54  -6.521   0.918   0.937
  409    HA   ALA  54           HA       ALA  54  -6.724   2.176   3.620
  410   1HB   ALA  54           HB1      ALA  54  -3.955   2.306   2.677
  411   2HB   ALA  54           HB2      ALA  54  -4.607   1.930   4.263
  412   3HB   ALA  54           HB3      ALA  54  -4.437   0.646   3.045
  413    H    THR  55           H        THR  55  -7.985   2.681   1.105
  414    HA   THR  55           HA       THR  55  -6.454   4.659  -0.367
  415    HB   THR  55           HB       THR  55  -9.454   4.052  -0.396
  416    HG1  THR  55           HG1      THR  55  -7.979   2.303  -1.023
  417   1HG2  THR  55          HG21      THR  55  -9.282   5.095  -2.663
  418   2HG2  THR  55          HG22      THR  55  -8.825   6.272  -1.410
  419   3HG2  THR  55          HG23      THR  55  -7.564   5.431  -2.339
  420    H    ALA  56           H        ALA  56  -9.142   4.785   1.989
  421    HA   ALA  56           HA       ALA  56  -9.236   7.602   2.344
  422   1HB   ALA  56           HB1      ALA  56 -10.317   7.081   4.493
  423   2HB   ALA  56           HB2      ALA  56 -10.994   6.141   3.151
  424   3HB   ALA  56           HB3      ALA  56  -9.878   5.369   4.304
  425    H    ASN  57           H        ASN  57  -7.013   5.163   3.638
  426    HA   ASN  57           HA       ASN  57  -6.065   6.886   5.770
  427   1HB   ASN  57           HB2      ASN  57  -5.914   4.105   5.133
  428   2HB   ASN  57           HB3      ASN  57  -4.258   4.669   5.027
  429   1HD2  ASN  57          HD21      ASN  57  -7.177   4.847   7.136
  430   2HD2  ASN  57          HD22      ASN  57  -6.269   4.755   8.638
  431    H    PHE  58           H        PHE  58  -4.888   5.774   2.643
  432    HA   PHE  58           HA       PHE  58  -2.413   7.164   2.502
  433   1HB   PHE  58           HB2      PHE  58  -2.979   5.407   0.983
  434   2HB   PHE  58           HB3      PHE  58  -4.432   6.232   0.452
  435    HD1  PHE  58           HD1      PHE  58  -4.387   7.213  -1.647
  436    HD2  PHE  58           HD2      PHE  58  -0.693   6.810   0.543
  437    HE1  PHE  58           HE1      PHE  58  -3.140   8.070  -3.595
  438    HE2  PHE  58           HE2      PHE  58   0.540   7.805  -1.361
  439    HZ   PHE  58           HZ       PHE  58  -0.674   8.411  -3.451
  440    H    GLU  59           H        GLU  59  -5.696   8.105   1.272
  441    HA   GLU  59           HA       GLU  59  -4.790  10.681   0.448
  442   1HB   GLU  59           HB2      GLU  59  -7.040  11.144  -0.135
  443   2HB   GLU  59           HB3      GLU  59  -6.644   9.470  -0.552
  444   1HG   GLU  59           HG2      GLU  59  -8.679   9.080   0.392
  445   2HG   GLU  59           HG3      GLU  59  -7.681   9.008   1.848
  446    H    ALA  60           H        ALA  60  -6.345   9.556   3.473
  447    HA   ALA  60           HA       ALA  60  -6.847  11.891   4.766
  448   1HB   ALA  60           HB1      ALA  60  -7.301   9.944   5.991
  449   2HB   ALA  60           HB2      ALA  60  -5.654   9.315   5.826
  450   3HB   ALA  60           HB3      ALA  60  -5.972  10.685   6.897
  451    H    VAL  61           H        VAL  61  -3.564  10.464   4.451
  452    HA   VAL  61           HA       VAL  61  -2.240  12.645   5.841
  453    HB   VAL  61           HB       VAL  61  -1.171  10.694   3.766
  454   1HG1  VAL  61          HG11      VAL  61   1.034  11.221   4.567
  455   2HG1  VAL  61          HG12      VAL  61   0.278  12.768   4.184
  456   3HG1  VAL  61          HG13      VAL  61   0.384  12.237   5.869
  457   1HG2  VAL  61          HG21      VAL  61  -0.267   9.545   5.828
  458   2HG2  VAL  61          HG22      VAL  61  -1.322  10.577   6.806
  459   3HG2  VAL  61          HG23      VAL  61  -2.016   9.424   5.643
  460    H    GLY  62           H        GLY  62  -2.795  11.842   2.398
  461   1HA   GLY  62           HA1      GLY  62  -3.538  13.698   0.951
  462   2HA   GLY  62           HA2      GLY  62  -2.245  14.703   1.620
  463    H    HIS  63           HN       HIS  63  -0.058  13.413   1.642
  464    HA   HIS  63           HA       HIS  63   1.723  12.647   0.531
  465   1HB   HIS  63           HB2      HIS  63  -0.334  10.980  -0.973
  466   2HB   HIS  63           HB3      HIS  63   1.381  10.855  -1.218
  467    HD1  HIS  63           HND      HIS  63  -1.262   9.889   1.395
  468    HD2  HIS  63           HD       HIS  63   2.852   9.650   0.599
  469    HE1  HIS  63           HE       HIS  63  -0.320   8.172   3.004
  470    H    SER  64           H        SER  64   3.053  13.806  -0.793
  471    HA   SER  64           HA       SER  64   1.890  15.877  -2.391
  472   1HB   SER  64           HB2      SER  64   4.191  16.584  -2.721
  473   2HB   SER  64           HB3      SER  64   4.001  16.065  -1.044
  474    HG   SER  64           HG       SER  64   5.881  15.195  -2.221
  475    H    THR  65           H        THR  65   3.326  16.267  -4.640
  476    HA   THR  65           HA       THR  65   2.322  14.565  -6.669
  477    HB   THR  65           HB       THR  65   4.273  15.787  -7.906
  478    HG1  THR  65           HG1      THR  65   5.224  17.417  -6.691
  479   1HG2  THR  65          HG21      THR  65   2.154  17.417  -6.414
  480   2HG2  THR  65          HG22      THR  65   3.060  17.960  -7.841
  481   3HG2  THR  65          HG23      THR  65   1.936  16.595  -7.974
  482    H    ASP  66           H        ASP  66   5.582  14.904  -5.280
  483    HA   ASP  66           HA       ASP  66   6.901  12.873  -6.593
  484   1HB   ASP  66           HB2      ASP  66   7.656  14.566  -4.666
  485   2HB   ASP  66           HB3      ASP  66   7.372  13.188  -3.604
  486    H    ALA  67           H        ALA  67   5.055  12.568  -3.589
  487    HA   ALA  67           HA       ALA  67   5.325   9.733  -3.281
  488   1HB   ALA  67           HB1      ALA  67   3.173  11.603  -2.271
  489   2HB   ALA  67           HB2      ALA  67   3.452   9.933  -1.709
  490   3HB   ALA  67           HB3      ALA  67   4.677  11.192  -1.430
  491    H    ARG  68           H        ARG  68   2.789  11.716  -4.860
  492    HA   ARG  68           HA       ARG  68   1.004   9.615  -5.583
  493   1HB   ARG  68           HB2      ARG  68   1.477  12.448  -6.378
  494   2HB   ARG  68           HB3      ARG  68   0.919  11.446  -7.691
  495   1HG   ARG  68           HG2      ARG  68  -1.113  11.885  -7.041
  496   2HG   ARG  68           HG3      ARG  68  -0.902  10.733  -5.734
  497   1HD   ARG  68           HD2      ARG  68  -0.331  12.481  -4.171
  498   2HD   ARG  68           HD3      ARG  68  -0.181  13.700  -5.421
  499    HE   ARG  68           HE       ARG  68  -2.560  12.878  -4.063
  500   1HH1  ARG  68          HH11      ARG  68  -4.790  14.532  -6.267
  501   2HH1  ARG  68          HH12      ARG  68  -4.635  13.723  -4.743
  502   1HH2  ARG  68          HH21      ARG  68  -2.899  14.740  -7.688
  503   2HH2  ARG  68          HH22      ARG  68  -1.392  14.054  -7.159
  504    H    GLU  69           H        GLU  69   3.994  10.820  -7.089
  505    HA   GLU  69           HA       GLU  69   3.670   9.141  -9.490
  506   1HB   GLU  69           HB2      GLU  69   5.501  11.223  -8.457
  507   2HB   GLU  69           HB3      GLU  69   6.247  10.063  -9.552
  508   1HG   GLU  69           HG2      GLU  69   3.584  11.295 -10.334
  509   2HG   GLU  69           HG3      GLU  69   5.059  12.255 -10.465
  510    H    LEU  70           H        LEU  70   5.569   9.129  -6.504
  511    HA   LEU  70           HA       LEU  70   7.176   6.937  -7.035
  512   1HB   LEU  70           HB2      LEU  70   7.370   8.562  -5.168
  513   2HB   LEU  70           HB3      LEU  70   5.966   7.812  -4.424
  514    HG   LEU  70           HG       LEU  70   7.312   6.461  -3.320
  515   1HD1  LEU  70          HD11      LEU  70   8.294   5.377  -5.939
  516   2HD1  LEU  70          HD12      LEU  70   8.760   4.748  -4.351
  517   3HD1  LEU  70          HD13      LEU  70   7.053   4.772  -4.798
  518   1HD2  LEU  70          HD21      LEU  70   9.711   6.659  -3.337
  519   2HD2  LEU  70          HD22      LEU  70   9.644   7.573  -4.868
  520   3HD2  LEU  70          HD23      LEU  70   8.916   8.242  -3.379
  521    H    SER  71           H        SER  71   3.968   7.065  -5.401
  522    HA   SER  71           HA       SER  71   3.426   4.386  -5.009
  523   1HB   SER  71           HB2      SER  71   1.134   4.806  -5.123
  524   2HB   SER  71           HB3      SER  71   1.870   6.291  -4.490
  525    HG   SER  71           HG       SER  71   1.595   7.182  -6.589
  526    H    LYS  72           H        LYS  72   2.840   6.096  -8.155
  527    HA   LYS  72           HA       LYS  72   2.162   3.842  -9.678
  528   1HB   LYS  72           HB2      LYS  72   3.620   6.394 -10.489
  529   2HB   LYS  72           HB3      LYS  72   3.171   5.138 -11.610
  530   1HG   LYS  72           HG2      LYS  72   0.854   5.767  -9.954
  531   2HG   LYS  72           HG3      LYS  72   1.571   7.275 -10.549
  532   1HD   LYS  72           HD2      LYS  72   1.636   6.383 -12.840
  533   2HD   LYS  72           HD3      LYS  72   0.953   4.836 -12.285
  534   1HE   LYS  72           HE2      LYS  72  -1.143   5.955 -11.650
  535   2HE   LYS  72           HE3      LYS  72  -0.461   7.538 -12.063
  536   1HZ   LYS  72           HZ1      LYS  72  -0.278   6.861 -14.327
  537   2HZ   LYS  72           HZ2      LYS  72  -0.830   5.352 -14.007
  538   3HZ   LYS  72           HZ3      LYS  72  -1.832   6.658 -13.846
  539    H    THR  73           H        THR  73   5.451   5.053  -8.904
  540    HA   THR  73           HA       THR  73   6.864   3.070 -10.422
  541    HB   THR  73           HB       THR  73   7.550   5.057  -8.300
  542    HG1  THR  73           HG1      THR  73   8.782   4.300 -10.714
  543   1HG2  THR  73          HG21      THR  73   8.711   3.148  -7.328
  544   2HG2  THR  73          HG22      THR  73   9.445   2.765  -8.905
  545   3HG2  THR  73          HG23      THR  73   9.843   4.281  -8.069
  546    H    PHE  74           H        PHE  74   5.160   2.836  -7.425
  547    HA   PHE  74           HA       PHE  74   6.297   0.115  -6.893
  548   1HB   PHE  74           HB2      PHE  74   4.669   2.061  -5.222
  549   2HB   PHE  74           HB3      PHE  74   4.723   0.355  -4.810
  550    HD1  PHE  74           HD1      PHE  74   7.299  -0.664  -5.026
  551    HD2  PHE  74           HD2      PHE  74   5.949   3.148  -3.549
  552    HE1  PHE  74           HE1      PHE  74   9.419  -0.401  -3.783
  553    HE2  PHE  74           HE2      PHE  74   8.070   3.400  -2.293
  554    HZ   PHE  74           HZ       PHE  74   9.818   1.641  -2.437
  555    H    ILE  75           H        ILE  75   3.906   1.402  -8.817
  556    HA   ILE  75           HA       ILE  75   1.663  -0.136  -8.013
  557    HB   ILE  75           HB       ILE  75   1.937   1.740  -9.819
  558   1HG1  ILE  75          HG12      ILE  75  -0.102  -0.466  -9.687
  559   2HG1  ILE  75          HG13      ILE  75  -0.097   1.128  -8.907
  560   1HG2  ILE  75          HG21      ILE  75   1.803  -0.721 -11.583
  561   2HG2  ILE  75          HG22      ILE  75   1.817   0.983 -12.104
  562   3HG2  ILE  75          HG23      ILE  75   3.267   0.284 -11.397
  563   1HD1  ILE  75          HD11      ILE  75  -0.431   0.582 -11.846
  564   2HD1  ILE  75          HD12      ILE  75  -1.596   1.277 -10.706
  565   3HD1  ILE  75          HD13      ILE  75  -0.123   2.199 -11.132
  566    H    ILE  76           H        ILE  76   1.282  -2.283  -8.062
  567    HA   ILE  76           HA       ILE  76   3.121  -4.029  -9.695
  568    HB   ILE  76           HB       ILE  76   2.264  -5.828  -8.148
  569   1HG1  ILE  76          HG12      ILE  76   1.554  -3.475  -6.338
  570   2HG1  ILE  76          HG13      ILE  76   0.354  -4.380  -7.266
  571   1HG2  ILE  76          HG21      ILE  76   3.856  -3.705  -6.667
  572   2HG2  ILE  76          HG22      ILE  76   4.067  -5.469  -6.662
  573   3HG2  ILE  76          HG23      ILE  76   4.536  -4.534  -8.073
  574   1HD1  ILE  76          HD11      ILE  76   2.189  -6.030  -5.613
  575   2HD1  ILE  76          HD12      ILE  76   1.103  -4.962  -4.720
  576   3HD1  ILE  76          HD13      ILE  76   0.440  -6.158  -5.865
  577    H    GLY  77           H        GLY  77  -0.044  -2.757  -9.604
  578   1HA   GLY  77           HA1      GLY  77  -0.897  -3.613 -12.017
  579   2HA   GLY  77           HA2      GLY  77  -1.370  -4.959 -10.951
  580    H    GLU  78           H        GLU  78  -3.550  -4.600 -10.901
  581    HA   GLU  78           HA       GLU  78  -4.543  -2.211  -9.524
  582   1HB   GLU  78           HB2      GLU  78  -4.899  -2.786 -12.408
  583   2HB   GLU  78           HB3      GLU  78  -6.416  -2.538 -11.561
  584   1HG   GLU  78           HG2      GLU  78  -5.701  -0.352 -10.832
  585   2HG   GLU  78           HG3      GLU  78  -4.032  -0.665 -11.363
  586    H    LEU  79           H        LEU  79  -6.834  -2.509  -9.087
  587    HA   LEU  79           HA       LEU  79  -7.244  -4.926  -7.582
  588   1HB   LEU  79           HB2      LEU  79  -8.148  -2.743  -6.901
  589   2HB   LEU  79           HB3      LEU  79  -9.030  -2.634  -8.426
  590    HG   LEU  79           HG       LEU  79 -10.207  -4.850  -7.647
  591   1HD1  LEU  79          HD11      LEU  79  -9.736  -5.683  -5.628
  592   2HD1  LEU  79          HD12      LEU  79  -8.454  -4.491  -5.434
  593   3HD1  LEU  79          HD13      LEU  79 -10.086  -4.134  -4.850
  594   1HD2  LEU  79          HD21      LEU  79 -11.140  -2.560  -6.024
  595   2HD2  LEU  79          HD22      LEU  79 -11.081  -2.387  -7.796
  596   3HD2  LEU  79          HD23      LEU  79 -11.995  -3.696  -7.084
  597    H    HIS  80           H        HIS  80  -8.227  -6.802  -8.205
  598    HA   HIS  80           HA       HIS  80  -8.771  -7.496 -10.830
  599   1HB   HIS  80           HB2      HIS  80  -8.486  -8.904  -8.701
  600   2HB   HIS  80           HB3      HIS  80 -10.242  -8.815  -8.547
  601    HD1  HIS  80           HD1      HIS  80 -11.481 -10.589 -10.146
  602    HD2  HIS  80           HD2      HIS  80  -7.355 -10.164 -10.780
  603    HE1  HIS  80           HE1      HIS  80 -10.826 -12.390 -11.796
  604    HA   PRO  81           HA       PRO  81 -12.685  -5.775 -11.796
  605   1HB   PRO  81           HB2      PRO  81 -13.404  -7.229 -14.002
  606   2HB   PRO  81           HB3      PRO  81 -12.169  -5.938 -13.981
  607   1HG   PRO  81           HG2      PRO  81 -11.730  -8.922 -13.831
  608   2HG   PRO  81           HG3      PRO  81 -10.819  -7.711 -14.786
  609   1HD   PRO  81           HD2      PRO  81  -9.945  -8.696 -12.424
  610   2HD   PRO  81           HD3      PRO  81  -9.611  -7.011 -12.924
  611    H    ASP  82           H        ASP  82 -12.280  -8.880 -10.522
  612    HA   ASP  82           HA       ASP  82 -15.133  -9.587 -10.432
  613   1HB   ASP  82           HB2      ASP  82 -13.249 -11.281 -10.641
  614   2HB   ASP  82           HB3      ASP  82 -12.841 -10.888  -8.929
  615    H    ASP  83           H        ASP  83 -12.823  -7.728  -8.590
  616    HA   ASP  83           HA       ASP  83 -14.174  -7.958  -5.995
  617   1HB   ASP  83           HB2      ASP  83 -11.802  -7.672  -5.986
  618   2HB   ASP  83           HB3      ASP  83 -11.902  -6.277  -7.073
  619    H    ARG  84           H        ARG  84 -13.717  -5.529  -8.534
  620    HA   ARG  84           HA       ARG  84 -15.386  -3.529  -7.343
  621   1HB   ARG  84           HB2      ARG  84 -15.056  -2.296  -9.388
  622   2HB   ARG  84           HB3      ARG  84 -13.535  -3.081  -8.933
  623   1HG   ARG  84           HG2      ARG  84 -14.237  -4.982 -10.544
  624   2HG   ARG  84           HG3      ARG  84 -15.538  -3.937 -11.080
  625   1HD   ARG  84           HD2      ARG  84 -13.684  -3.732 -12.625
  626   2HD   ARG  84           HD3      ARG  84 -13.984  -2.207 -11.761
  627    HE   ARG  84           HE       ARG  84 -11.956  -3.878 -10.479
  628   1HH1  ARG  84          HH11      ARG  84  -9.317  -1.725 -11.469
  629   2HH1  ARG  84          HH12      ARG  84  -9.701  -3.198 -10.638
  630   1HH2  ARG  84          HH21      ARG  84 -10.863  -0.897 -13.044
  631   2HH2  ARG  84          HH22      ARG  84 -12.472  -1.561 -13.082
  632    HHA  HEM 201           HGM      HEM 201   4.768  10.777   5.114
  633    HHB  HEM 201           HDM      HEM 201   5.700   7.875  -0.570
  634    HHC  HEM 201           HAM      HEM 201   0.743   3.967   0.621
  635    HHD  HEM 201           HBM      HEM 201   0.095   6.544   6.520
  636   1HMA  HEM 201          HM81      HEM 201   7.029  11.304   0.302
  637   2HMA  HEM 201          HM82      HEM 201   7.915   9.774   0.471
  638   3HMA  HEM 201          HM83      HEM 201   6.565   9.927  -0.669
  639   1HAA  HEM 201          HAA1      HEM 201   6.672  11.771   3.982
  640   2HAA  HEM 201          HAA2      HEM 201   6.989  12.126   2.300
  641   1HBA  HEM 201          HBA1      HEM 201   4.474  12.735   3.883
  642   2HBA  HEM 201          HBA2      HEM 201   4.454  12.681   2.116
  643   1HMB  HEM 201          HM11      HEM 201   4.270   5.277  -3.004
  644   2HMB  HEM 201          HM12      HEM 201   4.863   6.894  -2.599
  645   3HMB  HEM 201          HM13      HEM 201   5.730   5.458  -2.013
  646    HAB  HEM 201          HT2A      HEM 201   2.260   3.008  -1.388
  647   1HBB  HEM 201          HV2C      HEM 201   0.863   5.394  -2.529
  648   2HBB  HEM 201          HV2T      HEM 201   0.667   3.568  -2.908
  649   1HMC  HEM 201          HM31      HEM 201  -1.389   2.489   3.276
  650   2HMC  HEM 201          HM32      HEM 201  -2.182   3.731   2.303
  651   3HMC  HEM 201          HM33      HEM 201  -0.793   2.828   1.664
  652    HAC  HEM 201          HT4A      HEM 201  -2.027   5.405   5.875
  653   1HBC  HEM 201          HV4C      HEM 201  -1.204   2.494   5.444
  654   2HBC  HEM 201          HV4T      HEM 201  -2.199   3.207   6.835
  655   1HMD  HEM 201          HM51      HEM 201   0.992   7.293   8.457
  656   2HMD  HEM 201          HM52      HEM 201   2.002   8.579   9.104
  657   3HMD  HEM 201          HM53      HEM 201   0.427   8.979   8.393
  658   1HAD  HEM 201          HAD1      HEM 201   3.900   9.803   8.518
  659   2HAD  HEM 201          HAD2      HEM 201   4.447  10.850   7.248
  660   1HBD  HEM 201          HBD1      HEM 201   1.608  11.314   7.757
  661   2HBD  HEM 201          HBD2      HEM 201   2.557  11.448   9.245
  Start of MODEL    4
    1   1H    ALA   3           H1       ALA   3   3.323  -6.136 -17.609
    2   2H    ALA   3           H2       ALA   3   3.777  -7.685 -17.816
    3   3H    ALA   3           H3       ALA   3   3.974  -6.611 -19.071
    4    HA   ALA   3           HA       ALA   3   1.801  -6.634 -19.642
    5   1HB   ALA   3           HB1      ALA   3   2.005  -9.229 -18.026
    6   2HB   ALA   3           HB2      ALA   3   0.793  -8.878 -19.271
    7   3HB   ALA   3           HB3      ALA   3   2.504  -9.034 -19.721
    8    H    VAL   4           H        VAL   4  -0.491  -6.382 -18.895
    9    HA   VAL   4           HA       VAL   4  -0.576  -5.259 -16.182
   10    HB   VAL   4           HB       VAL   4  -2.754  -5.566 -18.291
   11   1HG1  VAL   4          HG11      VAL   4  -3.766  -5.462 -16.069
   12   2HG1  VAL   4          HG12      VAL   4  -2.703  -4.121 -15.596
   13   3HG1  VAL   4          HG13      VAL   4  -3.942  -3.881 -16.840
   14   1HG2  VAL   4          HG21      VAL   4  -0.960  -3.976 -18.959
   15   2HG2  VAL   4          HG22      VAL   4  -2.448  -3.113 -18.546
   16   3HG2  VAL   4          HG23      VAL   4  -1.104  -3.161 -17.385
   17    H    LYS   5           H        LYS   5  -1.629  -6.216 -14.443
   18    HA   LYS   5           HA       LYS   5  -3.085  -8.696 -14.759
   19   1HB   LYS   5           HB2      LYS   5  -0.685  -9.402 -14.676
   20   2HB   LYS   5           HB3      LYS   5  -0.511  -8.618 -13.106
   21   1HG   LYS   5           HG2      LYS   5  -1.551 -10.300 -11.995
   22   2HG   LYS   5           HG3      LYS   5  -2.787 -10.557 -13.227
   23   1HD   LYS   5           HD2      LYS   5   0.114 -11.386 -13.619
   24   2HD   LYS   5           HD3      LYS   5  -1.067 -12.450 -12.866
   25   1HE   LYS   5           HE2      LYS   5  -2.091 -11.303 -15.408
   26   2HE   LYS   5           HE3      LYS   5  -0.559 -12.140 -15.649
   27   1HZ   LYS   5           HZ1      LYS   5  -2.432 -13.598 -15.911
   28   2HZ   LYS   5           HZ2      LYS   5  -1.508 -14.090 -14.646
   29   3HZ   LYS   5           HZ3      LYS   5  -2.939 -13.320 -14.372
   30    H    TYR   6           H        TYR   6  -4.427  -9.009 -12.906
   31    HA   TYR   6           HA       TYR   6  -4.551  -6.687 -11.109
   32   1HB   TYR   6           HB2      TYR   6  -6.864  -8.388 -12.087
   33   2HB   TYR   6           HB3      TYR   6  -6.873  -6.858 -11.208
   34    HD1  TYR   6           HD1      TYR   6  -6.184  -8.446 -14.512
   35    HD2  TYR   6           HD2      TYR   6  -6.955  -4.784 -12.388
   36    HE1  TYR   6           HE1      TYR   6  -6.243  -7.211 -16.662
   37    HE2  TYR   6           HE2      TYR   6  -6.952  -3.535 -14.529
   38    HH   TYR   6           HH       TYR   6  -6.548  -3.658 -16.789
   39    H    TYR   7           H        TYR   7  -5.322  -7.235  -8.925
   40    HA   TYR   7           HA       TYR   7  -5.089 -10.142  -8.233
   41   1HB   TYR   7           HB2      TYR   7  -4.159  -7.841  -6.515
   42   2HB   TYR   7           HB3      TYR   7  -3.911  -9.561  -6.247
   43    HD1  TYR   7           HD1      TYR   7  -2.696  -6.530  -7.824
   44    HD2  TYR   7           HD2      TYR   7  -2.336 -10.822  -7.881
   45    HE1  TYR   7           HE1      TYR   7  -0.603  -6.327  -9.071
   46    HE2  TYR   7           HE2      TYR   7  -0.246 -10.616  -9.215
   47    HH   TYR   7           HH       TYR   7   1.057  -7.415 -10.215
   48    H    THR   8           H        THR   8  -6.553 -10.877  -6.710
   49    HA   THR   8           HA       THR   8  -9.019  -9.340  -6.450
   50    HB   THR   8           HB       THR   8  -9.903 -11.307  -5.433
   51    HG1  THR   8           HG1      THR   8  -7.737 -12.947  -5.341
   52   1HG2  THR   8          HG21      THR   8  -9.327 -11.375  -7.944
   53   2HG2  THR   8          HG22      THR   8  -7.990 -12.459  -7.499
   54   3HG2  THR   8          HG23      THR   8  -9.667 -12.916  -7.142
   55    H    LEU   9           H        LEU   9 -10.020  -8.866  -4.319
   56    HA   LEU   9           HA       LEU   9  -8.349  -7.624  -2.469
   57   1HB   LEU   9           HB2      LEU   9 -11.096  -8.020  -2.787
   58   2HB   LEU   9           HB3      LEU   9 -10.783  -8.821  -1.276
   59    HG   LEU   9           HG       LEU   9 -10.054  -5.948  -1.991
   60   1HD1  LEU   9          HD11      LEU   9 -12.545  -6.708  -1.383
   61   2HD1  LEU   9          HD12      LEU   9 -11.928  -6.642   0.267
   62   3HD1  LEU   9          HD13      LEU   9 -11.852  -5.200  -0.767
   63   1HD2  LEU   9          HD21      LEU   9  -8.381  -6.817  -0.362
   64   2HD2  LEU   9          HD22      LEU   9  -9.465  -5.657   0.412
   65   3HD2  LEU   9          HD23      LEU   9  -9.700  -7.396   0.676
   66    H    GLU  10           H        GLU  10  -9.533 -10.967  -2.632
   67    HA   GLU  10           HA       GLU  10  -8.565 -11.967  -0.191
   68   1HB   GLU  10           HB2      GLU  10 -10.083 -13.110  -1.890
   69   2HB   GLU  10           HB3      GLU  10  -8.634 -13.518  -2.797
   70   1HG   GLU  10           HG2      GLU  10  -9.159 -15.408  -1.436
   71   2HG   GLU  10           HG3      GLU  10  -7.724 -14.659  -0.729
   72    H    GLU  11           H        GLU  11  -6.985 -12.225  -3.425
   73    HA   GLU  11           HA       GLU  11  -4.539 -13.265  -2.532
   74   1HB   GLU  11           HB2      GLU  11  -5.497 -11.796  -4.957
   75   2HB   GLU  11           HB3      GLU  11  -3.775 -11.677  -4.638
   76   1HG   GLU  11           HG2      GLU  11  -4.216 -13.601  -6.083
   77   2HG   GLU  11           HG3      GLU  11  -3.568 -14.131  -4.526
   78    H    ILE  12           H        ILE  12  -5.436  -9.814  -2.958
   79    HA   ILE  12           HA       ILE  12  -2.951  -8.799  -2.044
   80    HB   ILE  12           HB       ILE  12  -5.724  -7.546  -1.937
   81   1HG1  ILE  12          HG12      ILE  12  -3.600  -6.983  -4.030
   82   2HG1  ILE  12          HG13      ILE  12  -4.667  -8.357  -4.243
   83   1HG2  ILE  12          HG21      ILE  12  -4.273  -5.392  -2.130
   84   2HG2  ILE  12          HG22      ILE  12  -4.332  -6.191  -0.555
   85   3HG2  ILE  12          HG23      ILE  12  -2.925  -6.406  -1.622
   86   1HD1  ILE  12          HD11      ILE  12  -5.641  -6.483  -5.407
   87   2HD1  ILE  12          HD12      ILE  12  -6.659  -6.876  -4.028
   88   3HD1  ILE  12          HD13      ILE  12  -5.568  -5.483  -3.958
   89    H    GLN  13           H        GLN  13  -5.928  -9.654  -0.229
   90    HA   GLN  13           HA       GLN  13  -5.095  -8.913   2.375
   91   1HB   GLN  13           HB2      GLN  13  -7.153 -10.756   1.186
   92   2HB   GLN  13           HB3      GLN  13  -6.753 -10.954   2.859
   93   1HG   GLN  13           HG2      GLN  13  -7.238  -8.117   2.051
   94   2HG   GLN  13           HG3      GLN  13  -8.606  -9.210   1.851
   95   1HE2  GLN  13          HE21      GLN  13  -9.901  -8.462   3.539
   96   2HE2  GLN  13          HE22      GLN  13  -9.435  -8.648   5.222
   97    H    LYS  14           H        LYS  14  -4.301 -11.860   0.433
   98    HA   LYS  14           HA       LYS  14  -3.213 -13.208   2.733
   99   1HB   LYS  14           HB2      LYS  14  -2.533 -13.545  -0.215
  100   2HB   LYS  14           HB3      LYS  14  -1.954 -14.546   1.113
  101   1HG   LYS  14           HG2      LYS  14  -4.549 -14.785   1.675
  102   2HG   LYS  14           HG3      LYS  14  -4.738 -14.316  -0.021
  103   1HD   LYS  14           HD2      LYS  14  -3.158 -16.148  -0.670
  104   2HD   LYS  14           HD3      LYS  14  -3.043 -16.627   1.043
  105   1HE   LYS  14           HE2      LYS  14  -5.543 -17.026   1.045
  106   2HE   LYS  14           HE3      LYS  14  -5.569 -16.626  -0.682
  107   1HZ   LYS  14           HZ1      LYS  14  -3.948 -18.481  -0.952
  108   2HZ   LYS  14           HZ2      LYS  14  -4.277 -18.930   0.602
  109   3HZ   LYS  14           HZ3      LYS  14  -5.472 -18.924  -0.529
  110    H    HIS  15           H        HIS  15  -2.121 -10.305   1.288
  111    HA   HIS  15           HA       HIS  15   0.694 -10.735   2.229
  112   1HB   HIS  15           HB2      HIS  15  -0.493  -8.976   0.063
  113   2HB   HIS  15           HB3      HIS  15   1.152  -8.851   0.654
  114    HD1  HIS  15           HD1      HIS  15   2.612  -9.847  -1.301
  115    HD2  HIS  15           HD2      HIS  15  -0.952 -11.957  -0.586
  116    HE1  HIS  15           HE1      HIS  15   2.603 -11.835  -2.878
  117    H    ASN  16           H        ASN  16  -0.522 -10.322   4.381
  118    HA   ASN  16           HA       ASN  16  -0.067  -7.524   5.123
  119   1HB   ASN  16           HB2      ASN  16  -2.264  -7.176   6.111
  120   2HB   ASN  16           HB3      ASN  16  -2.324  -7.436   4.360
  121   1HD2  ASN  16          HD21      ASN  16  -4.697  -7.631   5.202
  122   2HD2  ASN  16          HD22      ASN  16  -5.225  -9.284   5.353
  123    H    ASN  17           H        ASN  17   1.636  -9.043   6.071
  124    HA   ASN  17           HA       ASN  17   0.998  -9.062   8.954
  125   1HB   ASN  17           HB2      ASN  17   1.348 -11.593   7.393
  126   2HB   ASN  17           HB3      ASN  17   2.427 -11.464   8.780
  127   1HD2  ASN  17          HD21      ASN  17   0.568 -13.516   8.644
  128   2HD2  ASN  17          HD22      ASN  17  -0.609 -13.235   9.913
  129    H    SER  18           H        SER  18   3.439 -10.125   6.624
  130    HA   SER  18           HA       SER  18   5.515  -8.307   7.527
  131   1HB   SER  18           HB2      SER  18   6.913 -10.259   8.452
  132   2HB   SER  18           HB3      SER  18   5.589  -9.703   9.490
  133    HG   SER  18           HG       SER  18   5.499 -11.944   9.342
  134    H    LYS  19           H        LYS  19   4.990 -11.604   6.351
  135    HA   LYS  19           HA       LYS  19   7.002 -11.876   4.546
  136   1HB   LYS  19           HB2      LYS  19   5.175 -13.525   5.200
  137   2HB   LYS  19           HB3      LYS  19   4.156 -12.839   3.933
  138   1HG   LYS  19           HG2      LYS  19   6.982 -13.803   3.344
  139   2HG   LYS  19           HG3      LYS  19   5.703 -14.975   3.539
  140   1HD   LYS  19           HD2      LYS  19   4.863 -12.847   1.652
  141   2HD   LYS  19           HD3      LYS  19   6.421 -13.522   1.204
  142   1HE   LYS  19           HE2      LYS  19   4.723 -14.818   0.091
  143   2HE   LYS  19           HE3      LYS  19   5.480 -15.830   1.324
  144   1HZ   LYS  19           HZ1      LYS  19   3.563 -15.255   2.762
  145   2HZ   LYS  19           HZ2      LYS  19   2.856 -14.487   1.491
  146   3HZ   LYS  19           HZ3      LYS  19   3.144 -16.103   1.417
  147    H    SER  20           H        SER  20   3.881 -10.209   3.876
  148    HA   SER  20           HA       SER  20   5.252  -8.501   2.025
  149   1HB   SER  20           HB2      SER  20   2.918 -10.201   1.173
  150   2HB   SER  20           HB3      SER  20   3.502  -8.747   0.318
  151    HG   SER  20           HG       SER  20   5.579 -10.357   0.813
  152    H    THR  21           H        THR  21   4.295  -6.508   1.955
  153    HA   THR  21           HA       THR  21   1.747  -6.045   3.427
  154    HB   THR  21           HB       THR  21   4.285  -4.393   3.358
  155    HG1  THR  21           HG1      THR  21   3.899  -6.044   4.959
  156   1HG2  THR  21          HG21      THR  21   1.455  -3.477   3.774
  157   2HG2  THR  21          HG22      THR  21   2.705  -2.824   4.844
  158   3HG2  THR  21          HG23      THR  21   2.836  -2.626   3.090
  159    H    TRP  22           H        TRP  22   0.566  -6.337   1.561
  160    HA   TRP  22           HA       TRP  22   0.974  -4.332  -0.626
  161   1HB   TRP  22           HB2      TRP  22  -0.667  -6.881  -0.489
  162   2HB   TRP  22           HB3      TRP  22  -0.702  -5.716  -1.797
  163    HD1  TRP  22           HD1      TRP  22   2.841  -6.213  -0.826
  164    HE1  TRP  22           HE1      TRP  22   4.034  -7.580  -2.593
  165    HE3  TRP  22           HE3      TRP  22  -1.256  -7.930  -3.337
  166    HZ2  TRP  22           HZ2      TRP  22   3.297  -9.191  -4.898
  167    HZ3  TRP  22           HZ3      TRP  22  -1.003  -9.420  -5.276
  168    HH2  TRP  22           HH2      TRP  22   1.280  -9.993  -6.133
  169    H    LEU  23           H        LEU  23  -1.424  -3.639  -1.358
  170    HA   LEU  23           HA       LEU  23  -3.533  -3.526   0.495
  171   1HB   LEU  23           HB2      LEU  23  -3.216  -1.013   1.075
  172   2HB   LEU  23           HB3      LEU  23  -2.419  -2.236   2.024
  173    HG   LEU  23           HG       LEU  23  -0.296  -1.832   0.581
  174   1HD1  LEU  23          HD11      LEU  23  -1.836   0.671  -0.052
  175   2HD1  LEU  23          HD12      LEU  23  -0.148   0.369  -0.459
  176   3HD1  LEU  23          HD13      LEU  23  -1.415  -0.565  -1.266
  177   1HD2  LEU  23          HD21      LEU  23   0.219   0.246   1.825
  178   2HD2  LEU  23          HD22      LEU  23  -1.466   0.250   2.419
  179   3HD2  LEU  23          HD23      LEU  23  -0.376  -1.091   2.842
  180    H    ILE  24           H        ILE  24  -5.059  -1.621  -0.211
  181    HA   ILE  24           HA       ILE  24  -4.788  -1.255  -3.173
  182    HB   ILE  24           HB       ILE  24  -7.244  -1.746  -1.483
  183   1HG1  ILE  24          HG12      ILE  24  -6.440  -3.246  -3.986
  184   2HG1  ILE  24          HG13      ILE  24  -5.620  -3.628  -2.476
  185   1HG2  ILE  24          HG21      ILE  24  -6.920  -0.654  -4.295
  186   2HG2  ILE  24          HG22      ILE  24  -8.319  -1.661  -3.902
  187   3HG2  ILE  24          HG23      ILE  24  -8.053  -0.157  -3.016
  188   1HD1  ILE  24          HD11      ILE  24  -8.655  -3.607  -2.634
  189   2HD1  ILE  24          HD12      ILE  24  -7.661  -5.062  -2.840
  190   3HD1  ILE  24          HD13      ILE  24  -7.631  -4.175  -1.308
  191    H    LEU  25           H        LEU  25  -4.481   0.761  -3.735
  192    HA   LEU  25           HA       LEU  25  -5.662   3.057  -2.208
  193   1HB   LEU  25           HB2      LEU  25  -2.941   2.639  -3.430
  194   2HB   LEU  25           HB3      LEU  25  -3.633   4.246  -3.315
  195    HG   LEU  25           HG       LEU  25  -3.275   4.552  -1.201
  196   1HD1  LEU  25          HD11      LEU  25  -3.551   1.615  -0.757
  197   2HD1  LEU  25          HD12      LEU  25  -3.144   2.794   0.517
  198   3HD1  LEU  25          HD13      LEU  25  -4.670   2.929  -0.345
  199   1HD2  LEU  25          HD21      LEU  25  -1.180   2.552  -2.116
  200   2HD2  LEU  25          HD22      LEU  25  -1.053   4.317  -1.935
  201   3HD2  LEU  25          HD23      LEU  25  -1.108   3.265  -0.516
  202    H    HIS  26           H        HIS  26  -7.425   3.336  -3.474
  203    HA   HIS  26           HA       HIS  26  -8.622   4.082  -5.241
  204   1HB   HIS  26           HB2      HIS  26  -6.076   4.947  -6.624
  205   2HB   HIS  26           HB3      HIS  26  -7.712   5.557  -6.855
  206    HD1  HIS  26           HD1      HIS  26  -8.596   7.294  -4.896
  207    HD2  HIS  26           HD2      HIS  26  -4.677   5.827  -4.597
  208    HE1  HIS  26           HE1      HIS  26  -7.408   8.752  -3.168
  209    H    TYR  27           H        TYR  27  -8.434   1.492  -5.217
  210    HA   TYR  27           HA       TYR  27  -8.697  -0.406  -6.408
  211   1HB   TYR  27           HB2      TYR  27  -8.986   1.421  -8.826
  212   2HB   TYR  27           HB3      TYR  27  -9.576  -0.221  -8.658
  213    HD1  TYR  27           HD1      TYR  27 -11.640  -0.711  -7.507
  214    HD2  TYR  27           HD2      TYR  27 -10.129   3.314  -7.609
  215    HE1  TYR  27           HE1      TYR  27 -13.694   0.070  -6.399
  216    HE2  TYR  27           HE2      TYR  27 -12.197   4.105  -6.493
  217    HH   TYR  27           HH       TYR  27 -14.788   1.870  -5.470
  218    H    LYS  28           H        LYS  28  -5.911   0.799  -6.162
  219    HA   LYS  28           HA       LYS  28  -4.564  -0.789  -8.274
  220   1HB   LYS  28           HB2      LYS  28  -4.100   2.066  -7.419
  221   2HB   LYS  28           HB3      LYS  28  -2.755   1.081  -8.033
  222   1HG   LYS  28           HG2      LYS  28  -3.807   0.689 -10.083
  223   2HG   LYS  28           HG3      LYS  28  -5.387   1.250  -9.495
  224   1HD   LYS  28           HD2      LYS  28  -4.484   3.582  -9.347
  225   2HD   LYS  28           HD3      LYS  28  -2.919   2.994  -9.935
  226   1HE   LYS  28           HE2      LYS  28  -4.111   3.869 -11.873
  227   2HE   LYS  28           HE3      LYS  28  -4.066   2.108 -12.001
  228   1HZ   LYS  28           HZ1      LYS  28  -6.373   2.664 -10.644
  229   2HZ   LYS  28           HZ2      LYS  28  -6.327   3.758 -11.881
  230   3HZ   LYS  28           HZ3      LYS  28  -6.195   2.137 -12.180
  231    H    VAL  29           H        VAL  29  -2.970  -2.091  -7.613
  232    HA   VAL  29           HA       VAL  29  -2.578  -2.298  -4.711
  233    HB   VAL  29           HB       VAL  29  -1.714  -4.258  -6.851
  234   1HG1  VAL  29          HG11      VAL  29  -2.437  -4.659  -3.905
  235   2HG1  VAL  29          HG12      VAL  29  -1.735  -5.854  -5.015
  236   3HG1  VAL  29          HG13      VAL  29  -0.777  -4.469  -4.474
  237   1HG2  VAL  29          HG21      VAL  29  -3.812  -5.473  -6.240
  238   2HG2  VAL  29          HG22      VAL  29  -4.363  -4.018  -5.383
  239   3HG2  VAL  29          HG23      VAL  29  -4.098  -3.984  -7.142
  240    H    TYR  30           H        TYR  30  -0.655  -2.083  -3.736
  241    HA   TYR  30           HA       TYR  30   1.771  -1.313  -5.301
  242   1HB   TYR  30           HB2      TYR  30   0.538  -0.038  -2.830
  243   2HB   TYR  30           HB3      TYR  30   2.119   0.379  -3.459
  244    HD1  TYR  30           HD1      TYR  30   2.257   1.439  -5.777
  245    HD2  TYR  30           HD2      TYR  30  -1.525   0.659  -3.907
  246    HE1  TYR  30           HE1      TYR  30   1.104   2.931  -7.434
  247    HE2  TYR  30           HE2      TYR  30  -2.635   2.144  -5.545
  248    HH   TYR  30           HH       TYR  30  -2.346   3.737  -7.138
  249    H    ASP  31           H        ASP  31   3.471  -2.604  -4.677
  250    HA   ASP  31           HA       ASP  31   3.244  -4.120  -2.105
  251   1HB   ASP  31           HB2      ASP  31   3.858  -5.476  -4.079
  252   2HB   ASP  31           HB3      ASP  31   5.267  -4.437  -4.355
  253    H    LEU  32           H        LEU  32   4.132  -3.034  -0.401
  254    HA   LEU  32           HA       LEU  32   6.670  -1.566  -0.884
  255   1HB   LEU  32           HB2      LEU  32   4.801  -0.846   1.313
  256   2HB   LEU  32           HB3      LEU  32   6.070   0.106   0.624
  257    HG   LEU  32           HG       LEU  32   4.368  -0.241  -1.585
  258   1HD1  LEU  32          HD11      LEU  32   2.732  -1.226   0.091
  259   2HD1  LEU  32          HD12      LEU  32   2.638   0.378   0.828
  260   3HD1  LEU  32          HD13      LEU  32   2.139   0.115  -0.869
  261   1HD2  LEU  32          HD21      LEU  32   4.150   2.062  -1.527
  262   2HD2  LEU  32          HD22      LEU  32   4.377   2.145   0.253
  263   3HD2  LEU  32          HD23      LEU  32   5.715   1.724  -0.833
  264    H    THR  33           H        THR  33   5.974  -4.439  -0.121
  265    HA   THR  33           HA       THR  33   6.381  -4.943   2.577
  266    HB   THR  33           HB       THR  33   5.876  -6.638   0.820
  267    HG1  THR  33           HG1      THR  33   7.303  -8.227   1.921
  268   1HG2  THR  33          HG21      THR  33   8.811  -6.941   0.278
  269   2HG2  THR  33          HG22      THR  33   7.403  -7.767  -0.428
  270   3HG2  THR  33          HG23      THR  33   7.690  -6.065  -0.803
  271    H    LYS  34           H        LYS  34   8.885  -4.414   0.103
  272    HA   LYS  34           HA       LYS  34  10.973  -4.606   2.186
  273   1HB   LYS  34           HB2      LYS  34  10.969  -5.603  -0.298
  274   2HB   LYS  34           HB3      LYS  34  11.605  -3.995  -0.687
  275   1HG   LYS  34           HG2      LYS  34  13.284  -4.378   1.231
  276   2HG   LYS  34           HG3      LYS  34  12.669  -6.046   1.312
  277   1HD   LYS  34           HD2      LYS  34  13.267  -6.263  -1.167
  278   2HD   LYS  34           HD3      LYS  34  14.017  -4.658  -1.032
  279   1HE   LYS  34           HE2      LYS  34  15.187  -5.920   1.121
  280   2HE   LYS  34           HE3      LYS  34  14.889  -7.326   0.090
  281   1HZ   LYS  34           HZ1      LYS  34  17.040  -6.402  -0.307
  282   2HZ   LYS  34           HZ2      LYS  34  16.128  -6.139  -1.654
  283   3HZ   LYS  34           HZ3      LYS  34  16.427  -4.906  -0.600
  284    H    PHE  35           H        PHE  35   8.958  -2.373   2.102
  285    HA   PHE  35           HA       PHE  35  10.871  -0.101   2.103
  286   1HB   PHE  35           HB2      PHE  35   9.134  -0.520   0.069
  287   2HB   PHE  35           HB3      PHE  35   8.062   0.223   1.190
  288    HD1  PHE  35           HD1      PHE  35  11.636   0.940   0.175
  289    HD2  PHE  35           HD2      PHE  35   7.623   2.466   0.710
  290    HE1  PHE  35           HE1      PHE  35  12.403   3.197  -0.445
  291    HE2  PHE  35           HE2      PHE  35   8.373   4.687  -0.075
  292    HZ   PHE  35           HZ       PHE  35  10.768   5.069  -0.640
  293    H    LEU  36           H        LEU  36   9.189  -2.011   4.094
  294    HA   LEU  36           HA       LEU  36   7.344  -0.286   5.349
  295   1HB   LEU  36           HB2      LEU  36   8.959  -2.673   6.366
  296   2HB   LEU  36           HB3      LEU  36   7.612  -1.964   7.255
  297    HG   LEU  36           HG       LEU  36   7.268  -2.982   4.425
  298   1HD1  LEU  36          HD11      LEU  36   8.066  -4.830   5.864
  299   2HD1  LEU  36          HD12      LEU  36   6.778  -4.473   7.028
  300   3HD1  LEU  36          HD13      LEU  36   6.368  -5.046   5.397
  301   1HD2  LEU  36          HD21      LEU  36   4.966  -2.966   4.930
  302   2HD2  LEU  36          HD22      LEU  36   5.224  -2.565   6.639
  303   3HD2  LEU  36          HD23      LEU  36   5.556  -1.379   5.357
  304    H    GLU  37           H        GLU  37  10.650  -1.110   6.420
  305    HA   GLU  37           HA       GLU  37  10.732   0.905   8.447
  306   1HB   GLU  37           HB2      GLU  37  12.572  -1.111   7.403
  307   2HB   GLU  37           HB3      GLU  37  13.387   0.450   7.436
  308   1HG   GLU  37           HG2      GLU  37  12.432   0.643   9.876
  309   2HG   GLU  37           HG3      GLU  37  12.222  -1.112   9.743
  310    H    GLU  38           H        GLU  38  11.424   0.934   4.982
  311    HA   GLU  38           HA       GLU  38  12.842   3.411   4.889
  312   1HB   GLU  38           HB2      GLU  38  11.258   1.912   2.795
  313   2HB   GLU  38           HB3      GLU  38  12.288   3.269   2.463
  314   1HG   GLU  38           HG2      GLU  38  14.016   1.613   3.906
  315   2HG   GLU  38           HG3      GLU  38  13.050   0.449   2.993
  316    H    HIS  39           HN       HIS  39   9.396   2.550   4.437
  317    HA   HIS  39           HA       HIS  39   8.513   5.027   3.450
  318   1HB   HIS  39           HB2      HIS  39   7.121   3.114   3.264
  319   2HB   HIS  39           HB3      HIS  39   7.082   2.893   5.013
  320    HD1  HIS  39           HND      HIS  39   5.034   3.888   6.225
  321    HD2  HIS  39           HD       HIS  39   5.766   5.576   2.432
  322    HE1  HIS  39           HE       HIS  39   3.103   5.405   5.744
  323    HA   PRO  40           HA       PRO  40   9.225   7.090   7.428
  324   1HB   PRO  40           HB2      PRO  40   9.162   9.686   6.648
  325   2HB   PRO  40           HB3      PRO  40  10.486   8.578   6.193
  326   1HG   PRO  40           HG2      PRO  40   8.103   9.385   4.517
  327   2HG   PRO  40           HG3      PRO  40   9.823   9.309   4.032
  328   1HD   PRO  40           HD2      PRO  40   7.975   7.299   3.556
  329   2HD   PRO  40           HD3      PRO  40   9.726   7.007   3.744
  330    H    GLY  41           H        GLY  41   7.089   5.957   7.785
  331   1HA   GLY  41           HA1      GLY  41   5.231   7.749   9.007
  332   2HA   GLY  41           HA2      GLY  41   4.597   7.199   7.431
  333    H    GLY  42           H        GLY  42   6.380   5.787  10.173
  334   1HA   GLY  42           HA1      GLY  42   6.037   3.980  11.516
  335   2HA   GLY  42           HA2      GLY  42   4.317   4.263  11.254
  336    H    GLU  43           H        GLU  43   7.061   2.223  10.426
  337    HA   GLU  43           HA       GLU  43   6.090   0.795   8.257
  338   1HB   GLU  43           HB2      GLU  43   7.251  -1.140   9.140
  339   2HB   GLU  43           HB3      GLU  43   8.269   0.295   9.117
  340   1HG   GLU  43           HG2      GLU  43   8.558   0.324  11.368
  341   2HG   GLU  43           HG3      GLU  43   6.976  -0.335  11.755
  342    H    ALA  44           H        ALA  44   5.201   0.452  11.652
  343    HA   ALA  44           HA       ALA  44   3.429  -1.723  11.488
  344   1HB   ALA  44           HB1      ALA  44   2.538  -0.868  13.623
  345   2HB   ALA  44           HB2      ALA  44   4.313  -0.866  13.592
  346   3HB   ALA  44           HB3      ALA  44   3.419   0.658  13.382
  347    H    VAL  45           H        VAL  45   2.860   1.751  10.770
  348    HA   VAL  45           HA       VAL  45  -0.044   1.530  10.690
  349    HB   VAL  45           HB       VAL  45   1.994   3.590   9.791
  350   1HG1  VAL  45          HG11      VAL  45   0.426   3.715   8.025
  351   2HG1  VAL  45          HG12      VAL  45  -0.956   3.661   9.161
  352   3HG1  VAL  45          HG13      VAL  45   0.136   5.066   9.115
  353   1HG2  VAL  45          HG21      VAL  45   0.532   3.138  12.200
  354   2HG2  VAL  45          HG22      VAL  45   1.560   4.514  11.775
  355   3HG2  VAL  45          HG23      VAL  45  -0.177   4.563  11.431
  356    H    LEU  46           H        LEU  46   2.595   1.520   8.244
  357    HA   LEU  46           HA       LEU  46   0.856   0.943   6.066
  358   1HB   LEU  46           HB2      LEU  46   3.782   0.827   6.536
  359   2HB   LEU  46           HB3      LEU  46   3.218  -0.419   5.430
  360    HG   LEU  46           HG       LEU  46   2.791   2.570   5.070
  361   1HD1  LEU  46          HD11      LEU  46   4.350   2.286   3.194
  362   2HD1  LEU  46          HD12      LEU  46   5.117   1.652   4.668
  363   3HD1  LEU  46          HD13      LEU  46   4.433   0.538   3.476
  364   1HD2  LEU  46          HD21      LEU  46   0.884   1.445   4.018
  365   2HD2  LEU  46          HD22      LEU  46   2.030   1.870   2.756
  366   3HD2  LEU  46          HD23      LEU  46   1.959   0.196   3.352
  367    H    ARG  47           H        ARG  47   2.357  -1.183   8.468
  368    HA   ARG  47           HA       ARG  47   1.689  -3.647   7.196
  369   1HB   ARG  47           HB2      ARG  47   3.143  -2.906   9.432
  370   2HB   ARG  47           HB3      ARG  47   1.718  -3.566  10.179
  371   1HG   ARG  47           HG2      ARG  47   2.723  -5.530  10.020
  372   2HG   ARG  47           HG3      ARG  47   2.212  -5.559   8.337
  373   1HD   ARG  47           HD2      ARG  47   4.360  -5.211   7.551
  374   2HD   ARG  47           HD3      ARG  47   4.754  -4.093   8.850
  375    HE   ARG  47           HE       ARG  47   4.482  -7.005   9.426
  376   1HH1  ARG  47          HH11      ARG  47   7.518  -6.902  11.239
  377   2HH1  ARG  47          HH12      ARG  47   6.017  -7.757  11.006
  378   1HH2  ARG  47          HH21      ARG  47   7.633  -4.513  10.418
  379   2HH2  ARG  47          HH22      ARG  47   6.651  -4.219   9.106
  380    H    ALA  48           H        ALA  48   0.067  -1.629   9.627
  381    HA   ALA  48           HA       ALA  48  -2.070  -3.376  10.285
  382   1HB   ALA  48           HB1      ALA  48  -3.045  -1.234  11.223
  383   2HB   ALA  48           HB2      ALA  48  -1.368  -1.570  11.727
  384   3HB   ALA  48           HB3      ALA  48  -1.680  -0.365  10.468
  385    H    GLN  49           H        GLN  49  -1.846  -0.635   7.964
  386    HA   GLN  49           HA       GLN  49  -4.542  -1.145   6.958
  387   1HB   GLN  49           HB2      GLN  49  -2.275   0.729   6.438
  388   2HB   GLN  49           HB3      GLN  49  -3.362   0.480   5.098
  389   1HG   GLN  49           HG2      GLN  49  -4.258   1.381   7.865
  390   2HG   GLN  49           HG3      GLN  49  -4.076   2.423   6.443
  391   1HE2  GLN  49          HE21      GLN  49  -6.556   2.641   7.482
  392   2HE2  GLN  49          HE22      GLN  49  -7.676   1.674   6.537
  393    H    ALA  50           H        ALA  50  -1.513  -2.640   6.419
  394    HA   ALA  50           HA       ALA  50  -1.599  -3.271   3.762
  395   1HB   ALA  50           HB1      ALA  50  -0.265  -5.196   4.220
  396   2HB   ALA  50           HB2      ALA  50   0.169  -3.984   5.446
  397   3HB   ALA  50           HB3      ALA  50  -0.888  -5.338   5.867
  398    H    GLY  51           H        GLY  51  -2.531  -4.912   2.499
  399   1HA   GLY  51           HA1      GLY  51  -4.281  -6.144   1.694
  400   2HA   GLY  51           HA2      GLY  51  -4.077  -7.105   3.154
  401    H    GLY  52           H        GLY  52  -5.164  -3.724   2.646
  402   1HA   GLY  52           HA1      GLY  52  -7.947  -4.335   3.325
  403   2HA   GLY  52           HA2      GLY  52  -7.041  -3.275   4.442
  404    H    ASP  53           H        ASP  53  -9.221  -2.238   2.934
  405    HA   ASP  53           HA       ASP  53  -8.080  -0.813   0.644
  406   1HB   ASP  53           HB2      ASP  53 -10.524  -1.165   0.669
  407   2HB   ASP  53           HB3      ASP  53 -10.644  -0.188   2.153
  408    H    ALA  54           H        ALA  54  -6.503   0.586   1.059
  409    HA   ALA  54           HA       ALA  54  -6.604   2.193   3.604
  410   1HB   ALA  54           HB1      ALA  54  -4.172   1.471   1.947
  411   2HB   ALA  54           HB2      ALA  54  -4.237   2.310   3.520
  412   3HB   ALA  54           HB3      ALA  54  -4.697   0.587   3.375
  413    H    THR  55           H        THR  55  -7.725   2.447   0.614
  414    HA   THR  55           HA       THR  55  -6.360   4.553  -0.609
  415    HB   THR  55           HB       THR  55  -9.366   3.954  -0.617
  416    HG1  THR  55           HG1      THR  55  -8.530   2.139  -1.375
  417   1HG2  THR  55          HG21      THR  55  -8.795   6.136  -1.667
  418   2HG2  THR  55          HG22      THR  55  -7.465   5.353  -2.546
  419   3HG2  THR  55          HG23      THR  55  -9.157   4.945  -2.934
  420    H    ALA  56           H        ALA  56  -9.168   4.709   1.607
  421    HA   ALA  56           HA       ALA  56  -9.256   7.537   1.771
  422   1HB   ALA  56           HB1      ALA  56 -10.734   7.185   3.670
  423   2HB   ALA  56           HB2      ALA  56 -11.115   6.034   2.376
  424   3HB   ALA  56           HB3      ALA  56 -10.214   5.489   3.809
  425    H    ASN  57           H        ASN  57  -7.378   5.151   3.609
  426    HA   ASN  57           HA       ASN  57  -6.592   6.962   5.708
  427   1HB   ASN  57           HB2      ASN  57  -6.502   4.215   5.322
  428   2HB   ASN  57           HB3      ASN  57  -4.801   4.645   5.169
  429   1HD2  ASN  57          HD21      ASN  57  -4.057   6.310   7.045
  430   2HD2  ASN  57          HD22      ASN  57  -4.652   5.835   8.628
  431    H    PHE  58           H        PHE  58  -5.035   5.702   2.784
  432    HA   PHE  58           HA       PHE  58  -2.567   7.057   2.833
  433   1HB   PHE  58           HB2      PHE  58  -3.048   5.267   1.278
  434   2HB   PHE  58           HB3      PHE  58  -4.388   6.147   0.572
  435    HD1  PHE  58           HD1      PHE  58  -0.709   6.597   1.146
  436    HD2  PHE  58           HD2      PHE  58  -4.047   7.268  -1.474
  437    HE1  PHE  58           HE1      PHE  58   0.853   7.339  -0.641
  438    HE2  PHE  58           HE2      PHE  58  -2.505   8.032  -3.246
  439    HZ   PHE  58           HZ       PHE  58  -0.042   8.072  -2.836
  440    H    GLU  59           H        GLU  59  -5.668   8.027   1.190
  441    HA   GLU  59           HA       GLU  59  -4.557  10.491   0.335
  442   1HB   GLU  59           HB2      GLU  59  -6.687  11.063  -0.488
  443   2HB   GLU  59           HB3      GLU  59  -6.386   9.343  -0.761
  444   1HG   GLU  59           HG2      GLU  59  -8.561   9.233  -0.051
  445   2HG   GLU  59           HG3      GLU  59  -7.717   9.064   1.487
  446    H    ALA  60           H        ALA  60  -6.447   9.659   3.255
  447    HA   ALA  60           HA       ALA  60  -6.863  12.032   4.431
  448   1HB   ALA  60           HB1      ALA  60  -7.041  10.931   6.422
  449   2HB   ALA  60           HB2      ALA  60  -6.869   9.482   5.433
  450   3HB   ALA  60           HB3      ALA  60  -5.472  10.125   6.280
  451    H    VAL  61           H        VAL  61  -3.656  10.447   4.374
  452    HA   VAL  61           HA       VAL  61  -2.274  12.448   5.921
  453    HB   VAL  61           HB       VAL  61  -1.357  10.372   3.919
  454   1HG1  VAL  61          HG11      VAL  61   0.322  12.228   5.645
  455   2HG1  VAL  61          HG12      VAL  61   0.942  10.712   4.962
  456   3HG1  VAL  61          HG13      VAL  61   0.409  12.003   3.884
  457   1HG2  VAL  61          HG21      VAL  61  -1.072  10.417   6.943
  458   2HG2  VAL  61          HG22      VAL  61  -2.355   9.543   6.075
  459   3HG2  VAL  61          HG23      VAL  61  -0.665   9.094   5.833
  460    H    GLY  62           H        GLY  62  -3.024  12.106   2.467
  461   1HA   GLY  62           HA1      GLY  62  -3.281  14.104   1.175
  462   2HA   GLY  62           HA2      GLY  62  -1.826  14.800   1.900
  463    H    HIS  63           HN       HIS  63   0.129  13.174   1.719
  464    HA   HIS  63           HA       HIS  63   1.780  12.448   0.353
  465   1HB   HIS  63           HB2      HIS  63  -0.509  10.808  -0.774
  466   2HB   HIS  63           HB3      HIS  63   1.180  10.574  -1.194
  467    HD1  HIS  63           HND      HIS  63  -1.249   9.830   1.668
  468    HD2  HIS  63           HD       HIS  63   2.792   9.446   0.587
  469    HE1  HIS  63           HE       HIS  63  -0.229   8.180   3.287
  470    H    SER  64           H        SER  64   2.448  14.319  -0.585
  471    HA   SER  64           HA       SER  64   1.142  15.849  -2.547
  472   1HB   SER  64           HB2      SER  64   3.492  16.861  -2.725
  473   2HB   SER  64           HB3      SER  64   2.836  16.752  -1.082
  474    HG   SER  64           HG       SER  64   4.773  15.790  -0.848
  475    H    THR  65           H        THR  65   2.237  16.379  -4.696
  476    HA   THR  65           HA       THR  65   1.664  14.446  -6.528
  477    HB   THR  65           HB       THR  65   3.005  15.736  -8.156
  478    HG1  THR  65           HG1      THR  65   3.872  17.337  -5.969
  479   1HG2  THR  65          HG21      THR  65   1.711  17.762  -6.285
  480   2HG2  THR  65          HG22      THR  65   1.801  17.767  -8.053
  481   3HG2  THR  65          HG23      THR  65   0.750  16.602  -7.228
  482    H    ASP  66           H        ASP  66   4.995  15.232  -5.564
  483    HA   ASP  66           HA       ASP  66   6.430  13.262  -6.753
  484   1HB   ASP  66           HB2      ASP  66   6.915  15.148  -4.762
  485   2HB   ASP  66           HB3      ASP  66   7.154  13.651  -3.868
  486    H    ALA  67           H        ALA  67   4.601  12.849  -3.708
  487    HA   ALA  67           HA       ALA  67   5.519  10.105  -3.251
  488   1HB   ALA  67           HB1      ALA  67   4.787  11.555  -1.414
  489   2HB   ALA  67           HB2      ALA  67   3.149  11.620  -2.085
  490   3HB   ALA  67           HB3      ALA  67   3.804  10.076  -1.512
  491    H    ARG  68           H        ARG  68   2.631  11.768  -4.628
  492    HA   ARG  68           HA       ARG  68   0.976   9.524  -5.210
  493   1HB   ARG  68           HB2      ARG  68   1.014  12.411  -5.613
  494   2HB   ARG  68           HB3      ARG  68   0.494  11.651  -7.106
  495   1HG   ARG  68           HG2      ARG  68  -1.446  10.766  -6.127
  496   2HG   ARG  68           HG3      ARG  68  -0.723  10.715  -4.517
  497   1HD   ARG  68           HD2      ARG  68  -2.050  12.365  -4.104
  498   2HD   ARG  68           HD3      ARG  68  -0.762  13.372  -4.753
  499    HE   ARG  68           HE       ARG  68  -2.434  12.702  -6.929
  500   1HH1  ARG  68          HH11      ARG  68  -4.836  15.284  -6.541
  501   2HH1  ARG  68          HH12      ARG  68  -4.198  14.092  -7.623
  502   1HH2  ARG  68          HH21      ARG  68  -3.958  15.479  -4.344
  503   2HH2  ARG  68          HH22      ARG  68  -2.673  14.415  -3.864
  504    H    GLU  69           H        GLU  69   3.667  10.961  -6.958
  505    HA   GLU  69           HA       GLU  69   3.303   9.322  -9.351
  506   1HB   GLU  69           HB2      GLU  69   5.157  11.419  -8.357
  507   2HB   GLU  69           HB3      GLU  69   5.767  10.351  -9.617
  508   1HG   GLU  69           HG2      GLU  69   3.048  11.703  -9.886
  509   2HG   GLU  69           HG3      GLU  69   4.546  12.528 -10.330
  510    H    LEU  70           H        LEU  70   5.516   9.492  -6.559
  511    HA   LEU  70           HA       LEU  70   7.143   7.331  -6.958
  512   1HB   LEU  70           HB2      LEU  70   7.413   8.919  -5.161
  513   2HB   LEU  70           HB3      LEU  70   5.929   8.326  -4.415
  514    HG   LEU  70           HG       LEU  70   6.730   6.563  -3.470
  515   1HD1  LEU  70          HD11      LEU  70   8.696   6.412  -5.678
  516   2HD1  LEU  70          HD12      LEU  70   8.988   5.539  -4.142
  517   3HD1  LEU  70          HD13      LEU  70   7.480   5.270  -5.033
  518   1HD2  LEU  70          HD21      LEU  70   9.244   8.263  -3.599
  519   2HD2  LEU  70          HD22      LEU  70   7.856   8.572  -2.528
  520   3HD2  LEU  70          HD23      LEU  70   8.813   7.091  -2.334
  521    H    SER  71           H        SER  71   4.021   7.157  -5.244
  522    HA   SER  71           HA       SER  71   3.823   4.420  -4.958
  523   1HB   SER  71           HB2      SER  71   1.415   4.608  -5.005
  524   2HB   SER  71           HB3      SER  71   2.053   6.078  -4.242
  525    HG   SER  71           HG       SER  71   0.410   6.407  -5.914
  526    H    LYS  72           H        LYS  72   3.285   6.121  -8.100
  527    HA   LYS  72           HA       LYS  72   2.356   3.776  -9.424
  528   1HB   LYS  72           HB2      LYS  72   3.875   6.022 -10.776
  529   2HB   LYS  72           HB3      LYS  72   2.732   4.861 -11.460
  530   1HG   LYS  72           HG2      LYS  72   1.089   5.965  -9.594
  531   2HG   LYS  72           HG3      LYS  72   2.251   7.287  -9.759
  532   1HD   LYS  72           HD2      LYS  72   1.880   6.771 -12.375
  533   2HD   LYS  72           HD3      LYS  72   0.356   6.091 -11.797
  534   1HE   LYS  72           HE2      LYS  72  -0.562   8.165 -11.535
  535   2HE   LYS  72           HE3      LYS  72   0.839   8.767 -10.639
  536   1HZ   LYS  72           HZ1      LYS  72   1.968   9.231 -12.581
  537   2HZ   LYS  72           HZ2      LYS  72   0.818   8.569 -13.578
  538   3HZ   LYS  72           HZ3      LYS  72   0.537   9.946 -12.697
  539    H    THR  73           H        THR  73   5.639   4.974  -8.730
  540    HA   THR  73           HA       THR  73   7.072   3.040 -10.336
  541    HB   THR  73           HB       THR  73   7.827   4.888  -8.049
  542    HG1  THR  73           HG1      THR  73   9.006   5.805  -9.719
  543   1HG2  THR  73          HG21      THR  73  10.179   4.273  -8.378
  544   2HG2  THR  73          HG22      THR  73   9.241   2.995  -7.606
  545   3HG2  THR  73          HG23      THR  73   9.669   2.860  -9.330
  546    H    PHE  74           H        PHE  74   5.332   2.862  -7.372
  547    HA   PHE  74           HA       PHE  74   6.466   0.199  -6.637
  548   1HB   PHE  74           HB2      PHE  74   4.807   2.295  -5.198
  549   2HB   PHE  74           HB3      PHE  74   4.783   0.624  -4.690
  550    HD1  PHE  74           HD1      PHE  74   7.489   3.079  -5.721
  551    HD2  PHE  74           HD2      PHE  74   6.112   0.103  -2.934
  552    HE1  PHE  74           HE1      PHE  74   9.587   3.303  -4.431
  553    HE2  PHE  74           HE2      PHE  74   8.181   0.332  -1.659
  554    HZ   PHE  74           HZ       PHE  74   9.930   1.931  -2.366
  555    H    ILE  75           H        ILE  75   4.094   1.342  -8.737
  556    HA   ILE  75           HA       ILE  75   1.840  -0.208  -7.883
  557    HB   ILE  75           HB       ILE  75   2.115   1.695  -9.674
  558   1HG1  ILE  75          HG12      ILE  75   0.068  -0.514  -9.623
  559   2HG1  ILE  75          HG13      ILE  75   0.095   1.042  -8.759
  560   1HG2  ILE  75          HG21      ILE  75   2.025   0.980 -11.963
  561   2HG2  ILE  75          HG22      ILE  75   3.469   0.269 -11.254
  562   3HG2  ILE  75          HG23      ILE  75   2.013  -0.735 -11.482
  563   1HD1  ILE  75          HD11      ILE  75  -0.243   0.658 -11.733
  564   2HD1  ILE  75          HD12      ILE  75  -1.425   1.262 -10.558
  565   3HD1  ILE  75          HD13      ILE  75   0.024   2.232 -10.925
  566    H    ILE  76           H        ILE  76   1.418  -2.359  -8.018
  567    HA   ILE  76           HA       ILE  76   3.302  -4.066  -9.642
  568    HB   ILE  76           HB       ILE  76   2.561  -5.849  -8.084
  569   1HG1  ILE  76          HG12      ILE  76   1.617  -3.581  -6.274
  570   2HG1  ILE  76          HG13      ILE  76   0.512  -4.504  -7.276
  571   1HG2  ILE  76          HG21      ILE  76   3.952  -3.547  -6.640
  572   2HG2  ILE  76          HG22      ILE  76   4.243  -5.287  -6.456
  573   3HG2  ILE  76          HG23      ILE  76   4.734  -4.466  -7.933
  574   1HD1  ILE  76          HD11      ILE  76   2.328  -6.219  -5.698
  575   2HD1  ILE  76          HD12      ILE  76   1.333  -5.140  -4.711
  576   3HD1  ILE  76          HD13      ILE  76   0.566  -6.263  -5.865
  577    H    GLY  77           H        GLY  77   0.153  -2.838  -9.598
  578   1HA   GLY  77           HA1      GLY  77  -0.762  -3.686 -11.964
  579   2HA   GLY  77           HA2      GLY  77  -1.146  -5.079 -10.932
  580    H    GLU  78           H        GLU  78  -3.330  -4.689 -11.108
  581    HA   GLU  78           HA       GLU  78  -4.390  -2.324  -9.674
  582   1HB   GLU  78           HB2      GLU  78  -4.857  -3.139 -12.491
  583   2HB   GLU  78           HB3      GLU  78  -6.309  -2.795 -11.566
  584   1HG   GLU  78           HG2      GLU  78  -5.443  -0.641 -10.873
  585   2HG   GLU  78           HG3      GLU  78  -3.960  -0.898 -11.834
  586    H    LEU  79           H        LEU  79  -6.748  -2.600  -9.199
  587    HA   LEU  79           HA       LEU  79  -7.084  -5.061  -7.650
  588   1HB   LEU  79           HB2      LEU  79  -7.858  -2.923  -6.782
  589   2HB   LEU  79           HB3      LEU  79  -8.802  -2.653  -8.247
  590    HG   LEU  79           HG       LEU  79  -9.961  -4.997  -7.453
  591   1HD1  LEU  79          HD11      LEU  79 -10.115  -5.210  -5.106
  592   2HD1  LEU  79          HD12      LEU  79  -8.386  -5.075  -5.449
  593   3HD1  LEU  79          HD13      LEU  79  -9.284  -3.668  -4.831
  594   1HD2  LEU  79          HD21      LEU  79 -11.774  -3.653  -6.708
  595   2HD2  LEU  79          HD22      LEU  79 -10.687  -2.323  -6.263
  596   3HD2  LEU  79          HD23      LEU  79 -10.955  -2.773  -7.972
  597    H    HIS  80           H        HIS  80  -8.169  -6.869  -8.309
  598    HA   HIS  80           HA       HIS  80  -8.916  -7.436 -10.928
  599   1HB   HIS  80           HB2      HIS  80  -8.647  -8.910  -8.781
  600   2HB   HIS  80           HB3      HIS  80 -10.384  -8.696  -8.609
  601    HD1  HIS  80           HD1      HIS  80 -11.784 -10.298 -10.246
  602    HD2  HIS  80           HD2      HIS  80  -7.639 -10.195 -10.919
  603    HE1  HIS  80           HE1      HIS  80 -11.305 -12.082 -11.957
  604    HA   PRO  81           HA       PRO  81 -12.750  -5.237 -11.457
  605   1HB   PRO  81           HB2      PRO  81 -13.778  -6.531 -13.649
  606   2HB   PRO  81           HB3      PRO  81 -12.415  -5.380 -13.719
  607   1HG   PRO  81           HG2      PRO  81 -12.276  -8.403 -13.613
  608   2HG   PRO  81           HG3      PRO  81 -11.379  -7.299 -14.701
  609   1HD   PRO  81           HD2      PRO  81 -10.294  -8.345 -12.469
  610   2HD   PRO  81           HD3      PRO  81  -9.898  -6.681 -12.982
  611    H    ASP  82           H        ASP  82 -12.507  -8.541 -10.502
  612    HA   ASP  82           HA       ASP  82 -15.354  -9.103 -10.313
  613   1HB   ASP  82           HB2      ASP  82 -13.618 -10.879 -10.467
  614   2HB   ASP  82           HB3      ASP  82 -13.022 -10.389  -8.837
  615    H    ASP  83           H        ASP  83 -12.899  -7.592  -8.257
  616    HA   ASP  83           HA       ASP  83 -14.356  -7.660  -5.777
  617   1HB   ASP  83           HB2      ASP  83 -11.964  -7.332  -5.818
  618   2HB   ASP  83           HB3      ASP  83 -12.139  -5.889  -6.831
  619    H    ARG  84           H        ARG  84 -14.016  -5.294  -8.365
  620    HA   ARG  84           HA       ARG  84 -15.390  -3.139  -7.164
  621   1HB   ARG  84           HB2      ARG  84 -14.417  -3.866  -9.893
  622   2HB   ARG  84           HB3      ARG  84 -15.730  -2.690  -9.858
  623   1HG   ARG  84           HG2      ARG  84 -14.571  -1.180  -8.465
  624   2HG   ARG  84           HG3      ARG  84 -13.288  -2.340  -8.097
  625   1HD   ARG  84           HD2      ARG  84 -13.923  -1.310 -10.885
  626   2HD   ARG  84           HD3      ARG  84 -12.715  -0.541  -9.833
  627    HE   ARG  84           HE       ARG  84 -11.956  -3.200  -9.857
  628   1HH1  ARG  84          HH11      ARG  84 -10.066  -3.296 -12.846
  629   2HH1  ARG  84          HH12      ARG  84 -10.132  -3.873 -11.220
  630   1HH2  ARG  84          HH21      ARG  84 -11.363  -1.427 -13.482
  631   2HH2  ARG  84          HH22      ARG  84 -12.553  -0.816 -12.373
  632    HHA  HEM 201           HGM      HEM 201   4.998  10.516   5.237
  633    HHB  HEM 201           HDM      HEM 201   5.590   7.785  -0.600
  634    HHC  HEM 201           HAM      HEM 201   0.617   3.983   0.729
  635    HHD  HEM 201           HBM      HEM 201   0.140   6.502   6.639
  636   1HMA  HEM 201          HM81      HEM 201   6.453   9.885  -0.648
  637   2HMA  HEM 201          HM82      HEM 201   7.074  11.155   0.386
  638   3HMA  HEM 201          HM83      HEM 201   7.880   9.572   0.361
  639   1HAA  HEM 201          HAA1      HEM 201   6.795  11.480   4.122
  640   2HAA  HEM 201          HAA2      HEM 201   7.226  11.846   2.464
  641   1HBA  HEM 201          HBA1      HEM 201   4.523  12.381   3.770
  642   2HBA  HEM 201          HBA2      HEM 201   4.868  12.620   2.052
  643   1HMB  HEM 201          HM11      HEM 201   5.478   5.326  -2.118
  644   2HMB  HEM 201          HM12      HEM 201   3.941   5.138  -2.945
  645   3HMB  HEM 201          HM13      HEM 201   4.578   6.768  -2.688
  646    HAB  HEM 201          HT2A      HEM 201   1.623   4.249  -2.433
  647   1HBB  HEM 201          HV2C      HEM 201   2.091   2.373  -0.142
  648   2HBB  HEM 201          HV2T      HEM 201   1.212   2.056  -1.766
  649   1HMC  HEM 201          HM31      HEM 201  -0.925   2.382   2.838
  650   2HMC  HEM 201          HM32      HEM 201  -2.311   3.450   3.156
  651   3HMC  HEM 201          HM33      HEM 201  -1.455   3.554   1.617
  652    HAC  HEM 201          HT4A      HEM 201  -2.099   5.347   6.008
  653   1HBC  HEM 201          HV4C      HEM 201  -0.864   2.570   5.610
  654   2HBC  HEM 201          HV4T      HEM 201  -1.918   3.149   7.036
  655   1HMD  HEM 201          HM51      HEM 201   1.939   7.290   8.874
  656   2HMD  HEM 201          HM52      HEM 201   1.600   9.013   9.087
  657   3HMD  HEM 201          HM53      HEM 201   0.379   7.973   8.361
  658   1HAD  HEM 201          HAD1      HEM 201   3.999   9.569   8.641
  659   2HAD  HEM 201          HAD2      HEM 201   4.666  10.608   7.412
  660   1HBD  HEM 201          HBD1      HEM 201   3.161  12.247   7.785
  661   2HBD  HEM 201          HBD2      HEM 201   1.834  11.127   8.099
  Start of MODEL    5
    1   1H    ALA   3           H1       ALA   3   2.386  -6.945 -18.445
    2   2H    ALA   3           H2       ALA   3   2.306  -8.422 -19.147
    3   3H    ALA   3           H3       ALA   3   2.519  -7.077 -20.107
    4    HA   ALA   3           HA       ALA   3   0.134  -8.199 -19.550
    5   1HB   ALA   3           HB1      ALA   3   0.398  -6.547 -21.319
    6   2HB   ALA   3           HB2      ALA   3  -0.865  -5.979 -20.220
    7   3HB   ALA   3           HB3      ALA   3   0.757  -5.265 -20.138
    8    H    VAL   4           H        VAL   4  -1.758  -6.852 -18.325
    9    HA   VAL   4           HA       VAL   4  -0.770  -6.132 -15.611
   10    HB   VAL   4           HB       VAL   4  -2.113  -4.424 -16.730
   11   1HG1  VAL   4          HG11      VAL   4  -4.754  -5.493 -16.577
   12   2HG1  VAL   4          HG12      VAL   4  -3.894  -4.880 -17.992
   13   3HG1  VAL   4          HG13      VAL   4  -3.824  -6.598 -17.585
   14   1HG2  VAL   4          HG21      VAL   4  -2.161  -4.659 -14.275
   15   2HG2  VAL   4          HG22      VAL   4  -3.655  -3.978 -14.934
   16   3HG2  VAL   4          HG23      VAL   4  -3.621  -5.669 -14.401
   17    H    LYS   5           H        LYS   5  -1.688  -7.277 -13.855
   18    HA   LYS   5           HA       LYS   5  -3.546  -9.494 -14.409
   19   1HB   LYS   5           HB2      LYS   5  -1.260 -10.488 -14.592
   20   2HB   LYS   5           HB3      LYS   5  -0.900  -9.906 -12.956
   21   1HG   LYS   5           HG2      LYS   5  -2.861 -11.241 -12.110
   22   2HG   LYS   5           HG3      LYS   5  -3.115 -11.869 -13.753
   23   1HD   LYS   5           HD2      LYS   5  -0.863 -12.881 -13.737
   24   2HD   LYS   5           HD3      LYS   5  -0.532 -12.129 -12.161
   25   1HE   LYS   5           HE2      LYS   5  -2.656 -13.441 -11.333
   26   2HE   LYS   5           HE3      LYS   5  -2.467 -14.397 -12.810
   27   1HZ   LYS   5           HZ1      LYS   5  -0.467 -14.050 -10.668
   28   2HZ   LYS   5           HZ2      LYS   5  -1.366 -15.395 -10.939
   29   3HZ   LYS   5           HZ3      LYS   5  -0.226 -14.938 -12.035
   30    H    TYR   6           H        TYR   6  -5.014  -8.136 -13.416
   31    HA   TYR   6           HA       TYR   6  -4.598  -6.639 -11.111
   32   1HB   TYR   6           HB2      TYR   6  -7.184  -8.043 -11.886
   33   2HB   TYR   6           HB3      TYR   6  -6.987  -6.584 -10.907
   34    HD1  TYR   6           HD1      TYR   6  -6.581  -4.445 -11.919
   35    HD2  TYR   6           HD2      TYR   6  -7.203  -7.944 -14.314
   36    HE1  TYR   6           HE1      TYR   6  -6.738  -3.007 -13.949
   37    HE2  TYR   6           HE2      TYR   6  -7.430  -6.520 -16.335
   38    HH   TYR   6           HH       TYR   6  -6.808  -3.001 -16.244
   39    H    TYR   7           H        TYR   7  -5.357  -7.012  -8.874
   40    HA   TYR   7           HA       TYR   7  -5.219  -9.904  -8.064
   41   1HB   TYR   7           HB2      TYR   7  -4.220  -7.581  -6.432
   42   2HB   TYR   7           HB3      TYR   7  -3.980  -9.300  -6.148
   43    HD1  TYR   7           HD1      TYR   7  -2.293 -10.562  -7.565
   44    HD2  TYR   7           HD2      TYR   7  -2.949  -6.332  -8.036
   45    HE1  TYR   7           HE1      TYR   7  -0.232 -10.383  -8.952
   46    HE2  TYR   7           HE2      TYR   7  -0.965  -6.167  -9.436
   47    HH   TYR   7           HH       TYR   7   0.821  -7.238 -10.359
   48    H    THR   8           H        THR   8  -6.889 -10.607  -6.813
   49    HA   THR   8           HA       THR   8  -9.176  -8.876  -6.266
   50    HB   THR   8           HB       THR   8  -9.934 -11.055  -5.132
   51    HG1  THR   8           HG1      THR   8  -7.539 -11.544  -4.915
   52   1HG2  THR   8          HG21      THR   8 -10.539 -10.711  -7.482
   53   2HG2  THR   8          HG22      THR   8  -8.939 -11.306  -8.009
   54   3HG2  THR   8          HG23      THR   8 -10.083 -12.399  -7.214
   55    H    LEU   9           H        LEU   9  -9.966  -8.484  -4.085
   56    HA   LEU   9           HA       LEU   9  -8.137  -7.508  -2.262
   57   1HB   LEU   9           HB2      LEU   9 -10.868  -7.639  -2.464
   58   2HB   LEU   9           HB3      LEU   9 -10.635  -8.651  -1.062
   59    HG   LEU   9           HG       LEU   9  -9.248  -5.943  -1.201
   60   1HD1  LEU   9          HD11      LEU   9 -11.247  -4.967  -0.035
   61   2HD1  LEU   9          HD12      LEU   9 -11.433  -5.294  -1.758
   62   3HD1  LEU   9          HD13      LEU   9 -12.169  -6.393  -0.569
   63   1HD2  LEU   9          HD21      LEU   9  -8.670  -7.459   0.666
   64   2HD2  LEU   9          HD22      LEU   9  -9.534  -6.027   1.244
   65   3HD2  LEU   9          HD23      LEU   9 -10.391  -7.575   1.107
   66    H    GLU  10           H        GLU  10  -9.560 -10.747  -2.385
   67    HA   GLU  10           HA       GLU  10  -8.435 -11.910  -0.129
   68   1HB   GLU  10           HB2      GLU  10 -10.068 -12.940  -1.755
   69   2HB   GLU  10           HB3      GLU  10  -8.698 -13.358  -2.776
   70   1HG   GLU  10           HG2      GLU  10  -9.192 -15.282  -1.418
   71   2HG   GLU  10           HG3      GLU  10  -7.667 -14.610  -0.847
   72    H    GLU  11           H        GLU  11  -6.982 -12.320  -3.403
   73    HA   GLU  11           HA       GLU  11  -4.526 -13.287  -2.636
   74   1HB   GLU  11           HB2      GLU  11  -5.584 -11.956  -5.057
   75   2HB   GLU  11           HB3      GLU  11  -3.913 -11.532  -4.761
   76   1HG   GLU  11           HG2      GLU  11  -3.947 -13.452  -6.177
   77   2HG   GLU  11           HG3      GLU  11  -3.329 -13.959  -4.601
   78    H    ILE  12           H        ILE  12  -5.386  -9.816  -2.947
   79    HA   ILE  12           HA       ILE  12  -2.846  -8.841  -2.106
   80    HB   ILE  12           HB       ILE  12  -5.563  -7.558  -1.729
   81   1HG1  ILE  12          HG12      ILE  12  -3.573  -7.210  -4.037
   82   2HG1  ILE  12          HG13      ILE  12  -4.964  -8.265  -4.146
   83   1HG2  ILE  12          HG21      ILE  12  -3.422  -6.551  -0.524
   84   2HG2  ILE  12          HG22      ILE  12  -2.963  -6.070  -2.163
   85   3HG2  ILE  12          HG23      ILE  12  -4.478  -5.492  -1.454
   86   1HD1  ILE  12          HD11      ILE  12  -6.480  -6.373  -3.664
   87   2HD1  ILE  12          HD12      ILE  12  -5.055  -5.296  -3.711
   88   3HD1  ILE  12          HD13      ILE  12  -5.566  -6.184  -5.154
   89    H    GLN  13           H        GLN  13  -5.699  -9.799  -0.222
   90    HA   GLN  13           HA       GLN  13  -4.813  -9.216   2.382
   91   1HB   GLN  13           HB2      GLN  13  -7.013 -10.725   1.153
   92   2HB   GLN  13           HB3      GLN  13  -6.512 -11.368   2.687
   93   1HG   GLN  13           HG2      GLN  13  -6.886  -8.377   2.497
   94   2HG   GLN  13           HG3      GLN  13  -8.308  -9.414   2.407
   95   1HE2  GLN  13          HE21      GLN  13  -9.281  -9.361   4.383
   96   2HE2  GLN  13          HE22      GLN  13  -8.452  -9.671   5.897
   97    H    LYS  14           H        LYS  14  -3.642 -11.700   0.211
   98    HA   LYS  14           HA       LYS  14  -2.667 -13.422   2.385
   99   1HB   LYS  14           HB2      LYS  14  -1.942 -13.331  -0.557
  100   2HB   LYS  14           HB3      LYS  14  -1.440 -14.555   0.583
  101   1HG   LYS  14           HG2      LYS  14  -4.386 -13.987  -0.008
  102   2HG   LYS  14           HG3      LYS  14  -3.403 -15.068  -0.986
  103   1HD   LYS  14           HD2      LYS  14  -2.853 -16.353   1.143
  104   2HD   LYS  14           HD3      LYS  14  -4.075 -15.355   1.970
  105   1HE   LYS  14           HE2      LYS  14  -5.797 -16.125   0.320
  106   2HE   LYS  14           HE3      LYS  14  -4.569 -17.103  -0.501
  107   1HZ   LYS  14           HZ1      LYS  14  -5.847 -18.444   0.944
  108   2HZ   LYS  14           HZ2      LYS  14  -4.324 -18.354   1.561
  109   3HZ   LYS  14           HZ3      LYS  14  -5.551 -17.482   2.243
  110    H    HIS  15           H        HIS  15  -1.693 -10.409   0.883
  111    HA   HIS  15           HA       HIS  15   1.148 -10.816   1.659
  112   1HB   HIS  15           HB2      HIS  15  -0.227  -9.010  -0.346
  113   2HB   HIS  15           HB3      HIS  15   1.433  -8.745   0.192
  114    HD1  HIS  15           HD1      HIS  15   3.099  -9.666  -1.509
  115    HD2  HIS  15           HD2      HIS  15  -0.515 -11.802  -1.314
  116    HE1  HIS  15           HE1      HIS  15   3.252 -11.524  -3.246
  117    H    ASN  16           H        ASN  16  -0.021 -10.499   3.883
  118    HA   ASN  16           HA       ASN  16   0.690  -7.910   5.014
  119   1HB   ASN  16           HB2      ASN  16  -1.668  -7.277   5.673
  120   2HB   ASN  16           HB3      ASN  16  -1.270  -7.053   3.970
  121   1HD2  ASN  16          HD21      ASN  16  -3.261  -8.918   6.197
  122   2HD2  ASN  16          HD22      ASN  16  -4.264  -9.634   4.929
  123    H    ASN  17           H        ASN  17   1.724  -9.956   5.964
  124    HA   ASN  17           HA       ASN  17   0.707 -10.304   8.567
  125   1HB   ASN  17           HB2      ASN  17  -0.571 -12.099   6.661
  126   2HB   ASN  17           HB3      ASN  17   0.444 -13.078   7.698
  127   1HD2  ASN  17          HD21      ASN  17  -2.048 -13.743   7.907
  128   2HD2  ASN  17          HD22      ASN  17  -2.768 -13.096   9.371
  129    H    SER  18           H        SER  18   2.796  -9.760   8.976
  130    HA   SER  18           HA       SER  18   5.044  -9.990   9.258
  131   1HB   SER  18           HB2      SER  18   3.774 -11.608  10.862
  132   2HB   SER  18           HB3      SER  18   4.479 -12.898   9.867
  133    HG   SER  18           HG       SER  18   5.872 -12.363  11.577
  134    H    LYS  19           H        LYS  19   4.570 -10.106   6.532
  135    HA   LYS  19           HA       LYS  19   6.920 -11.520   5.600
  136   1HB   LYS  19           HB2      LYS  19   4.216 -12.721   5.231
  137   2HB   LYS  19           HB3      LYS  19   5.075 -12.464   3.712
  138   1HG   LYS  19           HG2      LYS  19   7.083 -13.628   4.722
  139   2HG   LYS  19           HG3      LYS  19   6.012 -14.127   6.051
  140   1HD   LYS  19           HD2      LYS  19   4.434 -15.062   4.262
  141   2HD   LYS  19           HD3      LYS  19   5.688 -14.675   3.066
  142   1HE   LYS  19           HE2      LYS  19   7.254 -16.103   4.693
  143   2HE   LYS  19           HE3      LYS  19   5.715 -16.735   5.300
  144   1HZ   LYS  19           HZ1      LYS  19   6.742 -16.882   2.540
  145   2HZ   LYS  19           HZ2      LYS  19   6.536 -18.130   3.586
  146   3HZ   LYS  19           HZ3      LYS  19   5.223 -17.354   2.968
  147    H    SER  20           H        SER  20   3.954 -10.569   3.865
  148    HA   SER  20           HA       SER  20   5.517  -8.461   2.449
  149   1HB   SER  20           HB2      SER  20   3.174 -10.131   1.542
  150   2HB   SER  20           HB3      SER  20   3.827  -8.751   0.638
  151    HG   SER  20           HG       SER  20   5.484 -10.870   1.494
  152    H    THR  21           H        THR  21   4.116  -6.640   1.646
  153    HA   THR  21           HA       THR  21   1.796  -5.990   3.343
  154    HB   THR  21           HB       THR  21   4.377  -4.398   3.243
  155    HG1  THR  21           HG1      THR  21   3.329  -6.263   4.876
  156   1HG2  THR  21          HG21      THR  21   2.613  -3.248   5.087
  157   2HG2  THR  21          HG22      THR  21   3.089  -2.588   3.507
  158   3HG2  THR  21          HG23      THR  21   1.615  -3.546   3.654
  159    H    TRP  22           H        TRP  22   0.620  -6.236   1.513
  160    HA   TRP  22           HA       TRP  22   0.898  -4.173  -0.628
  161   1HB   TRP  22           HB2      TRP  22  -0.642  -6.799  -0.470
  162   2HB   TRP  22           HB3      TRP  22  -0.798  -5.614  -1.760
  163    HD1  TRP  22           HD1      TRP  22   2.787  -5.894  -0.934
  164    HE1  TRP  22           HE1      TRP  22   3.996  -7.069  -2.716
  165    HE3  TRP  22           HE3      TRP  22  -1.274  -7.820  -3.357
  166    HZ2  TRP  22           HZ2      TRP  22   3.301  -8.769  -5.064
  167    HZ3  TRP  22           HZ3      TRP  22  -0.985  -9.261  -5.330
  168    HH2  TRP  22           HH2      TRP  22   1.303  -9.684  -6.252
  169    H    LEU  23           H        LEU  23  -1.328  -3.428  -1.339
  170    HA   LEU  23           HA       LEU  23  -3.513  -3.383   0.409
  171   1HB   LEU  23           HB2      LEU  23  -3.227  -0.936   1.147
  172   2HB   LEU  23           HB3      LEU  23  -2.349  -2.173   2.002
  173    HG   LEU  23           HG       LEU  23  -0.341  -1.586   0.350
  174   1HD1  LEU  23          HD11      LEU  23  -1.673  -0.079  -1.105
  175   2HD1  LEU  23          HD12      LEU  23  -2.019   0.911   0.337
  176   3HD1  LEU  23          HD13      LEU  23  -0.365   0.786  -0.288
  177   1HD2  LEU  23          HD21      LEU  23   0.256   0.311   1.933
  178   2HD2  LEU  23          HD22      LEU  23  -1.310   0.008   2.726
  179   3HD2  LEU  23          HD23      LEU  23  -0.075  -1.271   2.662
  180    H    ILE  24           H        ILE  24  -4.879  -1.303  -0.288
  181    HA   ILE  24           HA       ILE  24  -4.717  -1.099  -3.251
  182    HB   ILE  24           HB       ILE  24  -7.163  -1.571  -1.526
  183   1HG1  ILE  24          HG12      ILE  24  -6.128  -3.353  -3.761
  184   2HG1  ILE  24          HG13      ILE  24  -5.525  -3.548  -2.115
  185   1HG2  ILE  24          HG21      ILE  24  -7.663  -0.089  -3.460
  186   2HG2  ILE  24          HG22      ILE  24  -6.906  -1.263  -4.557
  187   3HG2  ILE  24          HG23      ILE  24  -8.392  -1.682  -3.683
  188   1HD1  ILE  24          HD11      ILE  24  -8.058  -3.613  -1.403
  189   2HD1  ILE  24          HD12      ILE  24  -8.302  -4.083  -3.066
  190   3HD1  ILE  24          HD13      ILE  24  -7.248  -5.051  -2.039
  191    H    LEU  25           H        LEU  25  -4.506   0.992  -3.714
  192    HA   LEU  25           HA       LEU  25  -5.793   3.079  -1.982
  193   1HB   LEU  25           HB2      LEU  25  -3.201   2.981  -3.533
  194   2HB   LEU  25           HB3      LEU  25  -3.999   4.515  -3.236
  195    HG   LEU  25           HG       LEU  25  -3.281   4.776  -1.244
  196   1HD1  LEU  25          HD11      LEU  25  -3.652   1.869  -0.681
  197   2HD1  LEU  25          HD12      LEU  25  -3.033   3.071   0.486
  198   3HD1  LEU  25          HD13      LEU  25  -4.649   3.257  -0.194
  199   1HD2  LEU  25          HD21      LEU  25  -1.278   4.141  -2.591
  200   2HD2  LEU  25          HD22      LEU  25  -1.039   3.915  -0.857
  201   3HD2  LEU  25          HD23      LEU  25  -1.345   2.511  -1.891
  202    H    HIS  26           H        HIS  26  -7.725   3.095  -3.078
  203    HA   HIS  26           HA       HIS  26  -9.196   3.755  -4.673
  204   1HB   HIS  26           HB2      HIS  26  -6.925   5.103  -6.165
  205   2HB   HIS  26           HB3      HIS  26  -8.646   5.463  -6.240
  206    HD1  HIS  26           HD1      HIS  26  -9.619   6.973  -4.185
  207    HD2  HIS  26           HD2      HIS  26  -5.531   6.012  -4.094
  208    HE1  HIS  26           HE1      HIS  26  -8.562   8.461  -2.401
  209    H    TYR  27           H        TYR  27  -8.648   1.227  -4.939
  210    HA   TYR  27           HA       TYR  27  -8.803  -0.548  -6.306
  211   1HB   TYR  27           HB2      TYR  27  -9.187   1.325  -8.658
  212   2HB   TYR  27           HB3      TYR  27  -9.782  -0.310  -8.464
  213    HD1  TYR  27           HD1      TYR  27 -10.866   2.978  -8.517
  214    HD2  TYR  27           HD2      TYR  27 -11.155  -0.512  -6.015
  215    HE1  TYR  27           HE1      TYR  27 -13.005   3.812  -7.573
  216    HE2  TYR  27           HE2      TYR  27 -13.337   0.247  -5.174
  217    HH   TYR  27           HH       TYR  27 -14.891   1.950  -5.177
  218    H    LYS  28           H        LYS  28  -6.122   0.921  -5.990
  219    HA   LYS  28           HA       LYS  28  -4.717  -0.471  -8.213
  220   1HB   LYS  28           HB2      LYS  28  -4.041   2.217  -7.051
  221   2HB   LYS  28           HB3      LYS  28  -3.075   1.295  -8.225
  222   1HG   LYS  28           HG2      LYS  28  -5.280   1.345  -9.664
  223   2HG   LYS  28           HG3      LYS  28  -5.799   2.579  -8.511
  224   1HD   LYS  28           HD2      LYS  28  -3.407   3.597  -8.993
  225   2HD   LYS  28           HD3      LYS  28  -3.492   2.611 -10.474
  226   1HE   LYS  28           HE2      LYS  28  -5.419   3.794 -11.274
  227   2HE   LYS  28           HE3      LYS  28  -5.761   4.490  -9.677
  228   1HZ   LYS  28           HZ1      LYS  28  -3.739   5.742  -9.830
  229   2HZ   LYS  28           HZ2      LYS  28  -3.475   5.178 -11.359
  230   3HZ   LYS  28           HZ3      LYS  28  -4.789   6.128 -11.040
  231    H    VAL  29           H        VAL  29  -3.137  -1.844  -7.581
  232    HA   VAL  29           HA       VAL  29  -2.721  -2.111  -4.708
  233    HB   VAL  29           HB       VAL  29  -1.843  -4.026  -6.874
  234   1HG1  VAL  29          HG11      VAL  29  -2.695  -4.494  -3.977
  235   2HG1  VAL  29          HG12      VAL  29  -1.915  -5.657  -5.071
  236   3HG1  VAL  29          HG13      VAL  29  -1.014  -4.266  -4.443
  237   1HG2  VAL  29          HG21      VAL  29  -4.178  -3.735  -7.270
  238   2HG2  VAL  29          HG22      VAL  29  -3.950  -5.243  -6.388
  239   3HG2  VAL  29          HG23      VAL  29  -4.547  -3.803  -5.532
  240    H    TYR  30           H        TYR  30  -0.793  -1.858  -3.728
  241    HA   TYR  30           HA       TYR  30   1.603  -1.052  -5.336
  242   1HB   TYR  30           HB2      TYR  30   0.402   0.163  -2.815
  243   2HB   TYR  30           HB3      TYR  30   2.005   0.547  -3.414
  244    HD1  TYR  30           HD1      TYR  30   2.276   1.663  -5.639
  245    HD2  TYR  30           HD2      TYR  30  -1.618   1.014  -3.940
  246    HE1  TYR  30           HE1      TYR  30   1.263   3.190  -7.330
  247    HE2  TYR  30           HE2      TYR  30  -2.583   2.630  -5.560
  248    HH   TYR  30           HH       TYR  30  -0.573   4.219  -8.046
  249    H    ASP  31           H        ASP  31   3.333  -2.376  -4.875
  250    HA   ASP  31           HA       ASP  31   3.282  -3.977  -2.353
  251   1HB   ASP  31           HB2      ASP  31   4.142  -5.223  -4.270
  252   2HB   ASP  31           HB3      ASP  31   5.340  -3.954  -4.588
  253    H    LEU  32           H        LEU  32   4.099  -3.020  -0.564
  254    HA   LEU  32           HA       LEU  32   6.412  -1.188  -0.912
  255   1HB   LEU  32           HB2      LEU  32   4.344  -0.850   1.217
  256   2HB   LEU  32           HB3      LEU  32   5.559   0.291   0.794
  257    HG   LEU  32           HG       LEU  32   3.541  -0.320  -1.383
  258   1HD1  LEU  32          HD11      LEU  32   2.932   1.418   0.997
  259   2HD1  LEU  32          HD12      LEU  32   1.948   1.227  -0.475
  260   3HD1  LEU  32          HD13      LEU  32   2.180  -0.147   0.601
  261   1HD2  LEU  32          HD21      LEU  32   4.718   2.326  -0.537
  262   2HD2  LEU  32          HD22      LEU  32   5.659   1.173  -1.506
  263   3HD2  LEU  32          HD23      LEU  32   4.139   1.794  -2.141
  264    H    THR  33           H        THR  33   5.982  -4.133  -0.397
  265    HA   THR  33           HA       THR  33   6.421  -4.838   2.298
  266    HB   THR  33           HB       THR  33   7.373  -6.116  -0.286
  267    HG1  THR  33           HG1      THR  33   5.338  -6.357  -0.480
  268   1HG2  THR  33          HG21      THR  33   7.358  -8.222   1.132
  269   2HG2  THR  33          HG22      THR  33   8.656  -7.084   1.504
  270   3HG2  THR  33          HG23      THR  33   7.251  -7.162   2.569
  271    H    LYS  34           H        LYS  34   8.630  -3.775  -0.268
  272    HA   LYS  34           HA       LYS  34  10.920  -3.887   1.651
  273   1HB   LYS  34           HB2      LYS  34  10.646  -4.726  -1.042
  274   2HB   LYS  34           HB3      LYS  34  11.622  -3.265  -1.136
  275   1HG   LYS  34           HG2      LYS  34  13.274  -4.171   0.354
  276   2HG   LYS  34           HG3      LYS  34  12.190  -5.482   0.874
  277   1HD   LYS  34           HD2      LYS  34  12.196  -6.360  -1.510
  278   2HD   LYS  34           HD3      LYS  34  13.399  -5.129  -1.899
  279   1HE   LYS  34           HE2      LYS  34  14.578  -7.181  -1.506
  280   2HE   LYS  34           HE3      LYS  34  14.920  -6.120  -0.130
  281   1HZ   LYS  34           HZ1      LYS  34  14.392  -8.424   0.469
  282   2HZ   LYS  34           HZ2      LYS  34  13.354  -7.359   1.165
  283   3HZ   LYS  34           HZ3      LYS  34  12.873  -8.251  -0.134
  284    H    PHE  35           H        PHE  35   8.704  -1.986   1.793
  285    HA   PHE  35           HA       PHE  35  10.432   0.367   1.830
  286   1HB   PHE  35           HB2      PHE  35   8.556   0.085  -0.154
  287   2HB   PHE  35           HB3      PHE  35   7.596   0.772   1.083
  288    HD1  PHE  35           HD1      PHE  35  11.179   1.450   0.036
  289    HD2  PHE  35           HD2      PHE  35   7.208   3.066   0.584
  290    HE1  PHE  35           HE1      PHE  35  12.017   3.694  -0.514
  291    HE2  PHE  35           HE2      PHE  35   8.067   5.326   0.030
  292    HZ   PHE  35           HZ       PHE  35  10.471   5.641  -0.541
  293    H    LEU  36           H        LEU  36   9.072  -1.683   3.769
  294    HA   LEU  36           HA       LEU  36   7.061  -0.253   5.164
  295   1HB   LEU  36           HB2      LEU  36   8.964  -2.470   6.037
  296   2HB   LEU  36           HB3      LEU  36   7.617  -1.900   7.028
  297    HG   LEU  36           HG       LEU  36   7.266  -2.948   4.178
  298   1HD1  LEU  36          HD11      LEU  36   7.509  -4.369   6.783
  299   2HD1  LEU  36          HD12      LEU  36   6.292  -4.964   5.622
  300   3HD1  LEU  36          HD13      LEU  36   7.993  -4.859   5.165
  301   1HD2  LEU  36          HD21      LEU  36   4.891  -3.250   5.510
  302   2HD2  LEU  36          HD22      LEU  36   5.469  -1.756   6.229
  303   3HD2  LEU  36          HD23      LEU  36   5.309  -1.882   4.468
  304    H    GLU  37           H        GLU  37  10.357  -0.878   6.378
  305    HA   GLU  37           HA       GLU  37  10.299   1.224   8.346
  306   1HB   GLU  37           HB2      GLU  37  12.159  -0.889   7.433
  307   2HB   GLU  37           HB3      GLU  37  12.996   0.623   7.769
  308   1HG   GLU  37           HG2      GLU  37  12.092   0.712  10.015
  309   2HG   GLU  37           HG3      GLU  37  11.066  -0.705   9.718
  310    H    GLU  38           H        GLU  38  11.265   1.023   4.953
  311    HA   GLU  38           HA       GLU  38  12.876   3.365   4.864
  312   1HB   GLU  38           HB2      GLU  38  11.219   2.140   2.669
  313   2HB   GLU  38           HB3      GLU  38  12.599   3.185   2.443
  314   1HG   GLU  38           HG2      GLU  38  13.130   0.627   3.982
  315   2HG   GLU  38           HG3      GLU  38  12.749   0.478   2.267
  316    H    HIS  39           HN       HIS  39   9.403   2.737   4.189
  317    HA   HIS  39           HA       HIS  39   8.642   5.197   3.137
  318   1HB   HIS  39           HB2      HIS  39   7.164   3.393   2.976
  319   2HB   HIS  39           HB3      HIS  39   7.126   3.156   4.728
  320    HD1  HIS  39           HND      HIS  39   5.419   4.426   6.077
  321    HD2  HIS  39           HD       HIS  39   5.705   5.655   2.078
  322    HE1  HIS  39           HE       HIS  39   3.501   6.035   5.695
  323    HA   PRO  40           HA       PRO  40   9.422   7.381   7.051
  324   1HB   PRO  40           HB2      PRO  40   9.540   9.952   6.037
  325   2HB   PRO  40           HB3      PRO  40  10.864   8.763   5.992
  326   1HG   PRO  40           HG2      PRO  40   9.093   9.618   3.749
  327   2HG   PRO  40           HG3      PRO  40  10.772   9.024   3.712
  328   1HD   PRO  40           HD2      PRO  40   8.361   7.583   3.184
  329   2HD   PRO  40           HD3      PRO  40  10.012   6.928   3.309
  330    H    GLY  41           H        GLY  41   7.227   6.501   7.458
  331   1HA   GLY  41           HA1      GLY  41   5.396   8.748   8.046
  332   2HA   GLY  41           HA2      GLY  41   4.752   7.490   6.989
  333    H    GLY  42           H        GLY  42   5.707   5.177   8.012
  334   1HA   GLY  42           HA1      GLY  42   5.948   4.663  10.666
  335   2HA   GLY  42           HA2      GLY  42   4.201   4.882  10.500
  336    H    GLU  43           H        GLU  43   6.805   2.671  10.099
  337    HA   GLU  43           HA       GLU  43   5.777   0.925   8.131
  338   1HB   GLU  43           HB2      GLU  43   7.129  -0.776   9.278
  339   2HB   GLU  43           HB3      GLU  43   8.008   0.700   8.927
  340   1HG   GLU  43           HG2      GLU  43   8.604   0.986  11.040
  341   2HG   GLU  43           HG3      GLU  43   6.947   1.003  11.610
  342    H    ALA  44           H        ALA  44   5.016   1.267  11.600
  343    HA   ALA  44           HA       ALA  44   3.441  -1.031  11.909
  344   1HB   ALA  44           HB1      ALA  44   2.950   1.641  13.295
  345   2HB   ALA  44           HB2      ALA  44   2.527   0.015  13.868
  346   3HB   ALA  44           HB3      ALA  44   4.231   0.495  13.753
  347    H    VAL  45           H        VAL  45   2.382   2.334  11.039
  348    HA   VAL  45           HA       VAL  45  -0.294   1.460  10.561
  349    HB   VAL  45           HB       VAL  45   0.185   3.754  11.121
  350   1HG1  VAL  45          HG11      VAL  45   0.886   5.364   9.445
  351   2HG1  VAL  45          HG12      VAL  45   2.159   4.210   9.818
  352   3HG1  VAL  45          HG13      VAL  45   1.248   4.063   8.291
  353   1HG2  VAL  45          HG21      VAL  45  -1.270   4.593   8.923
  354   2HG2  VAL  45          HG22      VAL  45  -1.609   2.856   8.960
  355   3HG2  VAL  45          HG23      VAL  45  -1.924   3.842  10.384
  356    H    LEU  46           H        LEU  46   2.598   1.871   8.113
  357    HA   LEU  46           HA       LEU  46   0.882   1.001   6.013
  358   1HB   LEU  46           HB2      LEU  46   3.831   0.926   6.626
  359   2HB   LEU  46           HB3      LEU  46   3.253  -0.061   5.289
  360    HG   LEU  46           HG       LEU  46   4.027   2.258   4.674
  361   1HD1  LEU  46          HD11      LEU  46   2.398   2.548   2.978
  362   2HD1  LEU  46          HD12      LEU  46   2.471   0.801   3.289
  363   3HD1  LEU  46          HD13      LEU  46   1.128   1.765   3.931
  364   1HD2  LEU  46          HD21      LEU  46   3.052   3.611   6.480
  365   2HD2  LEU  46          HD22      LEU  46   2.372   4.077   4.903
  366   3HD2  LEU  46          HD23      LEU  46   1.408   3.144   6.009
  367    H    ARG  47           H        ARG  47   2.392  -0.978   8.539
  368    HA   ARG  47           HA       ARG  47   1.841  -3.464   7.179
  369   1HB   ARG  47           HB2      ARG  47   3.678  -2.976   8.866
  370   2HB   ARG  47           HB3      ARG  47   2.442  -2.971  10.122
  371   1HG   ARG  47           HG2      ARG  47   3.547  -5.124  10.058
  372   2HG   ARG  47           HG3      ARG  47   1.877  -5.348   9.543
  373   1HD   ARG  47           HD2      ARG  47   2.452  -5.960   7.418
  374   2HD   ARG  47           HD3      ARG  47   3.710  -4.744   7.277
  375    HE   ARG  47           HE       ARG  47   4.081  -7.495   7.909
  376   1HH1  ARG  47          HH11      ARG  47   7.504  -7.050   8.696
  377   2HH1  ARG  47          HH12      ARG  47   6.290  -8.208   8.271
  378   1HH2  ARG  47          HH21      ARG  47   6.928  -4.754   8.968
  379   2HH2  ARG  47          HH22      ARG  47   5.294  -4.284   8.646
  380    H    ALA  48           H        ALA  48   0.208  -1.525   9.642
  381    HA   ALA  48           HA       ALA  48  -1.797  -3.466  10.325
  382   1HB   ALA  48           HB1      ALA  48  -1.704  -0.436  10.599
  383   2HB   ALA  48           HB2      ALA  48  -2.864  -1.511  11.421
  384   3HB   ALA  48           HB3      ALA  48  -1.125  -1.616  11.791
  385    H    GLN  49           H        GLN  49  -1.730  -0.638   8.096
  386    HA   GLN  49           HA       GLN  49  -4.438  -1.155   7.161
  387   1HB   GLN  49           HB2      GLN  49  -2.231   0.809   6.631
  388   2HB   GLN  49           HB3      GLN  49  -3.332   0.543   5.315
  389   1HG   GLN  49           HG2      GLN  49  -4.234   1.303   8.117
  390   2HG   GLN  49           HG3      GLN  49  -4.033   2.426   6.759
  391   1HE2  GLN  49          HE21      GLN  49  -6.502   2.578   7.711
  392   2HE2  GLN  49          HE22      GLN  49  -7.606   1.684   6.657
  393    H    ALA  50           H        ALA  50  -1.351  -2.487   6.395
  394    HA   ALA  50           HA       ALA  50  -1.609  -3.209   3.764
  395   1HB   ALA  50           HB1      ALA  50  -0.723  -5.164   5.912
  396   2HB   ALA  50           HB2      ALA  50  -0.180  -5.062   4.225
  397   3HB   ALA  50           HB3      ALA  50   0.269  -3.801   5.386
  398    H    GLY  51           H        GLY  51  -2.739  -4.797   2.612
  399   1HA   GLY  51           HA1      GLY  51  -3.952  -6.988   2.832
  400   2HA   GLY  51           HA2      GLY  51  -5.018  -6.197   4.007
  401    H    GLY  52           H        GLY  52  -5.235  -3.674   2.703
  402   1HA   GLY  52           HA1      GLY  52  -5.736  -3.042   0.299
  403   2HA   GLY  52           HA2      GLY  52  -6.744  -4.478   0.232
  404    H    ASP  53           H        ASP  53  -6.352  -1.712   2.560
  405    HA   ASP  53           HA       ASP  53  -8.983  -0.749   1.810
  406   1HB   ASP  53           HB2      ASP  53  -9.374  -2.686   3.507
  407   2HB   ASP  53           HB3      ASP  53  -8.626  -1.624   4.710
  408    H    ALA  54           H        ALA  54  -6.407   0.449   1.583
  409    HA   ALA  54           HA       ALA  54  -6.230   2.232   3.995
  410   1HB   ALA  54           HB1      ALA  54  -4.006   1.700   2.036
  411   2HB   ALA  54           HB2      ALA  54  -3.948   2.355   3.688
  412   3HB   ALA  54           HB3      ALA  54  -4.302   0.624   3.405
  413    H    THR  55           H        THR  55  -7.809   2.294   1.265
  414    HA   THR  55           HA       THR  55  -6.640   4.401  -0.252
  415    HB   THR  55           HB       THR  55  -9.573   3.554  -0.040
  416    HG1  THR  55           HG1      THR  55  -8.125   1.863  -0.753
  417   1HG2  THR  55          HG21      THR  55  -7.932   5.047  -2.102
  418   2HG2  THR  55          HG22      THR  55  -9.609   4.506  -2.377
  419   3HG2  THR  55          HG23      THR  55  -9.265   5.758  -1.162
  420    H    ALA  56           H        ALA  56  -9.315   4.464   2.133
  421    HA   ALA  56           HA       ALA  56  -9.578   7.294   2.236
  422   1HB   ALA  56           HB1      ALA  56 -10.274   5.192   4.334
  423   2HB   ALA  56           HB2      ALA  56 -10.861   6.869   4.288
  424   3HB   ALA  56           HB3      ALA  56 -11.321   5.737   3.004
  425    H    ASN  57           H        ASN  57  -7.637   4.996   4.161
  426    HA   ASN  57           HA       ASN  57  -6.694   6.862   6.065
  427   1HB   ASN  57           HB2      ASN  57  -6.545   4.223   5.886
  428   2HB   ASN  57           HB3      ASN  57  -4.975   4.540   5.150
  429   1HD2  ASN  57          HD21      ASN  57  -6.986   4.919   8.072
  430   2HD2  ASN  57          HD22      ASN  57  -5.637   5.186   9.162
  431    H    PHE  58           H        PHE  58  -5.161   5.663   3.063
  432    HA   PHE  58           HA       PHE  58  -2.834   7.230   3.041
  433   1HB   PHE  58           HB2      PHE  58  -3.194   5.341   1.563
  434   2HB   PHE  58           HB3      PHE  58  -4.564   6.127   0.792
  435    HD1  PHE  58           HD1      PHE  58  -4.252   7.514  -1.137
  436    HD2  PHE  58           HD2      PHE  58  -0.901   6.468   1.336
  437    HE1  PHE  58           HE1      PHE  58  -2.704   8.326  -2.890
  438    HE2  PHE  58           HE2      PHE  58   0.664   7.267  -0.429
  439    HZ   PHE  58           HZ       PHE  58  -0.237   8.196  -2.543
  440    H    GLU  59           H        GLU  59  -6.013   7.912   1.427
  441    HA   GLU  59           HA       GLU  59  -5.091  10.396   0.399
  442   1HB   GLU  59           HB2      GLU  59  -7.287  10.750  -0.411
  443   2HB   GLU  59           HB3      GLU  59  -6.836   9.058  -0.609
  444   1HG   GLU  59           HG2      GLU  59  -9.003   8.812   0.144
  445   2HG   GLU  59           HG3      GLU  59  -8.084   8.709   1.644
  446    H    ALA  60           H        ALA  60  -7.020   9.584   3.320
  447    HA   ALA  60           HA       ALA  60  -7.410  12.168   4.299
  448   1HB   ALA  60           HB1      ALA  60  -6.947   9.559   5.820
  449   2HB   ALA  60           HB2      ALA  60  -7.595  11.059   6.521
  450   3HB   ALA  60           HB3      ALA  60  -8.500  10.209   5.254
  451    H    VAL  61           H        VAL  61  -4.618   9.967   4.854
  452    HA   VAL  61           HA       VAL  61  -3.091  11.717   6.504
  453    HB   VAL  61           HB       VAL  61  -2.326   9.494   4.577
  454   1HG1  VAL  61          HG11      VAL  61  -0.233  10.401   4.587
  455   2HG1  VAL  61          HG12      VAL  61  -0.550  11.434   5.999
  456   3HG1  VAL  61          HG13      VAL  61  -0.181   9.736   6.219
  457   1HG2  VAL  61          HG21      VAL  61  -2.110   9.545   7.607
  458   2HG2  VAL  61          HG22      VAL  61  -3.583   9.016   6.799
  459   3HG2  VAL  61          HG23      VAL  61  -2.067   8.150   6.506
  460    H    GLY  62           H        GLY  62  -3.149  11.302   2.929
  461   1HA   GLY  62           HA1      GLY  62  -2.904  12.991   1.349
  462   2HA   GLY  62           HA2      GLY  62  -2.417  14.154   2.592
  463    H    HIS  63           HN       HIS  63  -1.120  13.641   0.010
  464    HA   HIS  63           HA       HIS  63   1.612  12.907   0.746
  465   1HB   HIS  63           HB2      HIS  63  -0.237  11.203  -0.994
  466   2HB   HIS  63           HB3      HIS  63   1.505  11.167  -1.156
  467    HD1  HIS  63           HND      HIS  63  -1.166  10.071   1.442
  468    HD2  HIS  63           HD       HIS  63   2.912   9.771   0.491
  469    HE1  HIS  63           HE       HIS  63  -0.202   8.308   2.984
  470    H    SER  64           H        SER  64   3.053  13.490  -1.015
  471    HA   SER  64           HA       SER  64   1.979  15.759  -2.574
  472   1HB   SER  64           HB2      SER  64   4.461  15.180  -1.172
  473   2HB   SER  64           HB3      SER  64   4.831  15.596  -2.840
  474    HG   SER  64           HG       SER  64   3.771  17.543  -2.553
  475    H    THR  65           H        THR  65   3.446  16.141  -4.713
  476    HA   THR  65           HA       THR  65   2.543  14.366  -6.721
  477    HB   THR  65           HB       THR  65   4.308  15.680  -8.046
  478    HG1  THR  65           HG1      THR  65   5.802  16.457  -6.771
  479   1HG2  THR  65          HG21      THR  65   3.173  18.006  -7.149
  480   2HG2  THR  65          HG22      THR  65   2.362  16.877  -8.246
  481   3HG2  THR  65          HG23      THR  65   2.004  16.840  -6.511
  482    H    ASP  66           H        ASP  66   5.725  14.789  -5.194
  483    HA   ASP  66           HA       ASP  66   7.175  12.806  -6.452
  484   1HB   ASP  66           HB2      ASP  66   7.659  14.519  -4.361
  485   2HB   ASP  66           HB3      ASP  66   7.540  13.003  -3.464
  486    H    ALA  67           H        ALA  67   5.043  12.426  -3.638
  487    HA   ALA  67           HA       ALA  67   5.372   9.573  -3.361
  488   1HB   ALA  67           HB1      ALA  67   3.175   9.758  -2.095
  489   2HB   ALA  67           HB2      ALA  67   4.543  10.687  -1.454
  490   3HB   ALA  67           HB3      ALA  67   3.282  11.509  -2.384
  491    H    ARG  68           H        ARG  68   2.958  11.608  -5.090
  492    HA   ARG  68           HA       ARG  68   1.233   9.544  -5.903
  493   1HB   ARG  68           HB2      ARG  68   1.916  12.209  -7.131
  494   2HB   ARG  68           HB3      ARG  68   0.763  11.129  -7.899
  495   1HG   ARG  68           HG2      ARG  68  -0.759  11.214  -6.118
  496   2HG   ARG  68           HG3      ARG  68   0.424  11.860  -4.979
  497   1HD   ARG  68           HD2      ARG  68  -0.128  13.929  -5.493
  498   2HD   ARG  68           HD3      ARG  68   0.184  13.657  -7.228
  499    HE   ARG  68           HE       ARG  68  -2.338  12.548  -6.637
  500   1HH1  ARG  68          HH11      ARG  68  -4.227  15.403  -7.515
  501   2HH1  ARG  68          HH12      ARG  68  -4.267  13.687  -7.287
  502   1HH2  ARG  68          HH21      ARG  68  -2.201  16.591  -7.180
  503   2HH2  ARG  68          HH22      ARG  68  -0.788  15.705  -6.698
  504    H    GLU  69           H        GLU  69   4.352  10.690  -7.217
  505    HA   GLU  69           HA       GLU  69   4.264   9.042  -9.665
  506   1HB   GLU  69           HB2      GLU  69   5.919  11.196  -8.485
  507   2HB   GLU  69           HB3      GLU  69   6.783  10.084  -9.534
  508   1HG   GLU  69           HG2      GLU  69   4.142  11.193 -10.522
  509   2HG   GLU  69           HG3      GLU  69   5.558  12.247 -10.489
  510    H    LEU  70           H        LEU  70   5.942   9.073  -6.535
  511    HA   LEU  70           HA       LEU  70   7.662   6.906  -7.017
  512   1HB   LEU  70           HB2      LEU  70   7.912   8.532  -5.212
  513   2HB   LEU  70           HB3      LEU  70   6.433   7.918  -4.469
  514    HG   LEU  70           HG       LEU  70   7.420   6.362  -3.326
  515   1HD1  LEU  70          HD11      LEU  70   7.678   4.811  -4.926
  516   2HD1  LEU  70          HD12      LEU  70   8.985   5.670  -5.791
  517   3HD1  LEU  70          HD13      LEU  70   9.296   4.905  -4.218
  518   1HD2  LEU  70          HD21      LEU  70   9.629   6.754  -2.619
  519   2HD2  LEU  70          HD22      LEU  70  10.075   7.539  -4.150
  520   3HD2  LEU  70          HD23      LEU  70   8.950   8.341  -3.025
  521    H    SER  71           H        SER  71   4.478   7.014  -5.412
  522    HA   SER  71           HA       SER  71   3.940   4.336  -4.976
  523   1HB   SER  71           HB2      SER  71   1.628   4.827  -5.146
  524   2HB   SER  71           HB3      SER  71   2.407   6.269  -4.470
  525    HG   SER  71           HG       SER  71   0.849   6.627  -6.216
  526    H    LYS  72           H        LYS  72   3.392   6.029  -8.114
  527    HA   LYS  72           HA       LYS  72   2.637   3.790  -9.593
  528   1HB   LYS  72           HB2      LYS  72   4.182   6.269 -10.443
  529   2HB   LYS  72           HB3      LYS  72   3.777   4.989 -11.553
  530   1HG   LYS  72           HG2      LYS  72   1.381   5.527 -10.078
  531   2HG   LYS  72           HG3      LYS  72   2.092   7.104 -10.392
  532   1HD   LYS  72           HD2      LYS  72   1.854   6.945 -12.675
  533   2HD   LYS  72           HD3      LYS  72   2.037   5.182 -12.722
  534   1HE   LYS  72           HE2      LYS  72  -0.171   4.799 -11.836
  535   2HE   LYS  72           HE3      LYS  72  -0.443   6.543 -11.631
  536   1HZ   LYS  72           HZ1      LYS  72  -0.044   5.109 -14.183
  537   2HZ   LYS  72           HZ2      LYS  72  -1.448   5.775 -13.660
  538   3HZ   LYS  72           HZ3      LYS  72  -0.177   6.743 -14.047
  539    H    THR  73           H        THR  73   5.989   4.726  -8.753
  540    HA   THR  73           HA       THR  73   7.242   2.630 -10.302
  541    HB   THR  73           HB       THR  73   8.158   4.460  -8.068
  542    HG1  THR  73           HG1      THR  73   8.002   5.153 -10.244
  543   1HG2  THR  73          HG21      THR  73   9.805   2.207  -9.238
  544   2HG2  THR  73          HG22      THR  73  10.420   3.587  -8.299
  545   3HG2  THR  73          HG23      THR  73   9.334   2.424  -7.532
  546    H    PHE  74           H        PHE  74   5.573   2.657  -7.268
  547    HA   PHE  74           HA       PHE  74   6.418  -0.145  -6.653
  548   1HB   PHE  74           HB2      PHE  74   4.900   1.964  -5.074
  549   2HB   PHE  74           HB3      PHE  74   4.959   0.284  -4.582
  550    HD1  PHE  74           HD1      PHE  74   6.358   3.252  -3.717
  551    HD2  PHE  74           HD2      PHE  74   7.440  -0.805  -4.683
  552    HE1  PHE  74           HE1      PHE  74   8.486   3.505  -2.463
  553    HE2  PHE  74           HE2      PHE  74   9.575  -0.531  -3.465
  554    HZ   PHE  74           HZ       PHE  74  10.099   1.624  -2.363
  555    H    ILE  75           H        ILE  75   4.147   1.249  -8.653
  556    HA   ILE  75           HA       ILE  75   1.799  -0.147  -7.806
  557    HB   ILE  75           HB       ILE  75   2.211   1.756  -9.587
  558   1HG1  ILE  75          HG12      ILE  75  -0.066  -0.212  -9.432
  559   2HG1  ILE  75          HG13      ILE  75   0.201   1.310  -8.557
  560   1HG2  ILE  75          HG21      ILE  75   1.745  -0.622 -11.417
  561   2HG2  ILE  75          HG22      ILE  75   1.886   1.087 -11.870
  562   3HG2  ILE  75          HG23      ILE  75   3.302   0.234 -11.271
  563   1HD1  ILE  75          HD11      ILE  75   0.182   2.515 -10.747
  564   2HD1  ILE  75          HD12      ILE  75  -0.452   1.005 -11.473
  565   3HD1  ILE  75          HD13      ILE  75  -1.363   1.830 -10.189
  566    H    ILE  76           H        ILE  76   1.210  -2.258  -8.052
  567    HA   ILE  76           HA       ILE  76   2.978  -4.024  -9.747
  568    HB   ILE  76           HB       ILE  76   2.030  -5.831  -8.225
  569   1HG1  ILE  76          HG12      ILE  76   1.504  -3.443  -6.379
  570   2HG1  ILE  76          HG13      ILE  76   0.256  -4.349  -7.223
  571   1HG2  ILE  76          HG21      ILE  76   3.943  -5.697  -6.898
  572   2HG2  ILE  76          HG22      ILE  76   4.395  -4.600  -8.195
  573   3HG2  ILE  76          HG23      ILE  76   3.801  -3.940  -6.666
  574   1HD1  ILE  76          HD11      ILE  76   2.200  -5.897  -5.539
  575   2HD1  ILE  76          HD12      ILE  76   1.034  -4.875  -4.713
  576   3HD1  ILE  76          HD13      ILE  76   0.462  -6.150  -5.820
  577    H    GLY  77           H        GLY  77  -0.057  -2.579  -9.651
  578   1HA   GLY  77           HA1      GLY  77  -1.010  -3.110 -12.036
  579   2HA   GLY  77           HA2      GLY  77  -1.437  -4.637 -11.228
  580    H    GLU  78           H        GLU  78  -3.615  -4.308 -11.094
  581    HA   GLU  78           HA       GLU  78  -4.590  -2.084  -9.427
  582   1HB   GLU  78           HB2      GLU  78  -5.116  -2.657 -12.295
  583   2HB   GLU  78           HB3      GLU  78  -6.534  -2.238 -11.334
  584   1HG   GLU  78           HG2      GLU  78  -5.959  -0.088 -11.168
  585   2HG   GLU  78           HG3      GLU  78  -4.226  -0.418 -10.918
  586    H    LEU  79           H        LEU  79  -6.916  -2.390  -8.932
  587    HA   LEU  79           HA       LEU  79  -7.168  -4.889  -7.486
  588   1HB   LEU  79           HB2      LEU  79  -8.046  -2.809  -6.574
  589   2HB   LEU  79           HB3      LEU  79  -8.991  -2.549  -8.044
  590    HG   LEU  79           HG       LEU  79 -10.070  -4.935  -7.319
  591   1HD1  LEU  79          HD11      LEU  79  -9.608  -3.767  -4.629
  592   2HD1  LEU  79          HD12      LEU  79 -10.081  -5.415  -5.062
  593   3HD1  LEU  79          HD13      LEU  79  -8.404  -4.906  -5.300
  594   1HD2  LEU  79          HD21      LEU  79 -11.061  -2.491  -7.521
  595   2HD2  LEU  79          HD22      LEU  79 -11.928  -3.833  -6.777
  596   3HD2  LEU  79          HD23      LEU  79 -11.118  -2.648  -5.752
  597    H    HIS  80           H        HIS  80  -8.289  -6.707  -8.098
  598    HA   HIS  80           HA       HIS  80  -9.041  -7.256 -10.749
  599   1HB   HIS  80           HB2      HIS  80  -8.666  -8.757  -8.650
  600   2HB   HIS  80           HB3      HIS  80 -10.405  -8.593  -8.423
  601    HD1  HIS  80           HD1      HIS  80 -11.785 -10.265 -10.000
  602    HD2  HIS  80           HD2      HIS  80  -7.688  -9.969 -10.850
  603    HE1  HIS  80           HE1      HIS  80 -11.298 -12.010 -11.761
  604    HA   PRO  81           HA       PRO  81 -12.976  -5.228 -11.133
  605   1HB   PRO  81           HB2      PRO  81 -13.975  -6.479 -13.355
  606   2HB   PRO  81           HB3      PRO  81 -12.659  -5.273 -13.393
  607   1HG   PRO  81           HG2      PRO  81 -12.420  -8.289 -13.462
  608   2HG   PRO  81           HG3      PRO  81 -11.535  -7.087 -14.451
  609   1HD   PRO  81           HD2      PRO  81 -10.505  -8.285 -12.244
  610   2HD   PRO  81           HD3      PRO  81 -10.051  -6.628 -12.724
  611    H    ASP  82           H        ASP  82 -12.580  -8.519 -10.238
  612    HA   ASP  82           HA       ASP  82 -15.404  -9.192 -10.000
  613   1HB   ASP  82           HB2      ASP  82 -13.571 -10.871 -10.219
  614   2HB   ASP  82           HB3      ASP  82 -13.010 -10.412  -8.568
  615    H    ASP  83           H        ASP  83 -12.951  -7.605  -8.014
  616    HA   ASP  83           HA       ASP  83 -14.393  -7.734  -5.510
  617   1HB   ASP  83           HB2      ASP  83 -11.984  -7.547  -5.536
  618   2HB   ASP  83           HB3      ASP  83 -12.073  -6.042  -6.460
  619    H    ARG  84           H        ARG  84 -13.924  -5.259  -8.000
  620    HA   ARG  84           HA       ARG  84 -15.479  -3.160  -6.777
  621   1HB   ARG  84           HB2      ARG  84 -14.333  -3.756  -9.487
  622   2HB   ARG  84           HB3      ARG  84 -15.652  -2.591  -9.426
  623   1HG   ARG  84           HG2      ARG  84 -14.533  -1.110  -7.991
  624   2HG   ARG  84           HG3      ARG  84 -13.291  -2.273  -7.570
  625   1HD   ARG  84           HD2      ARG  84 -13.781  -1.062 -10.310
  626   2HD   ARG  84           HD3      ARG  84 -12.489  -0.547  -9.201
  627    HE   ARG  84           HE       ARG  84 -11.981  -3.228  -9.485
  628   1HH1  ARG  84          HH11      ARG  84 -10.448  -3.434 -12.656
  629   2HH1  ARG  84          HH12      ARG  84 -10.330  -3.969 -11.018
  630   1HH2  ARG  84          HH21      ARG  84 -11.523  -1.383 -13.090
  631   2HH2  ARG  84          HH22      ARG  84 -12.504  -0.664 -11.850
  632    HHA  HEM 201           HGM      HEM 201   4.726  11.006   4.972
  633    HHB  HEM 201           HDM      HEM 201   5.825   8.055  -0.671
  634    HHC  HEM 201           HAM      HEM 201   1.004   3.956   0.584
  635    HHD  HEM 201           HBM      HEM 201   0.203   6.661   6.398
  636   1HMA  HEM 201          HM81      HEM 201   7.799  11.089   0.695
  637   2HMA  HEM 201          HM82      HEM 201   7.774   9.438   0.074
  638   3HMA  HEM 201          HM83      HEM 201   6.666  10.654  -0.595
  639   1HAA  HEM 201          HAA1      HEM 201   6.732  12.495   2.082
  640   2HAA  HEM 201          HAA2      HEM 201   5.402  12.531   3.219
  641   1HBA  HEM 201          HBA1      HEM 201   8.234  11.565   3.720
  642   2HBA  HEM 201          HBA2      HEM 201   6.925  11.318   4.880
  643   1HMB  HEM 201          HM11      HEM 201   5.075   6.918  -2.725
  644   2HMB  HEM 201          HM12      HEM 201   5.898   5.502  -2.004
  645   3HMB  HEM 201          HM13      HEM 201   4.490   5.281  -3.042
  646    HAB  HEM 201          HT2A      HEM 201   2.510   3.078  -1.442
  647   1HBB  HEM 201          HV2C      HEM 201   1.050   5.422  -2.620
  648   2HBB  HEM 201          HV2T      HEM 201   0.909   3.595  -3.021
  649   1HMC  HEM 201          HM31      HEM 201  -0.774   2.385   2.885
  650   2HMC  HEM 201          HM32      HEM 201  -2.082   3.559   2.716
  651   3HMC  HEM 201          HM33      HEM 201  -0.960   3.290   1.377
  652    HAC  HEM 201          HT4A      HEM 201  -1.973   5.474   5.691
  653   1HBC  HEM 201          HV4C      HEM 201  -0.908   2.623   5.337
  654   2HBC  HEM 201          HV4T      HEM 201  -1.911   3.311   6.749
  655   1HMD  HEM 201          HM51      HEM 201   0.346   8.707   8.198
  656   2HMD  HEM 201          HM52      HEM 201   1.445   7.329   8.417
  657   3HMD  HEM 201          HM53      HEM 201   1.917   8.931   8.972
  658   1HAD  HEM 201          HAD1      HEM 201   3.733  10.122   8.420
  659   2HAD  HEM 201          HAD2      HEM 201   4.356  11.131   7.142
  660   1HBD  HEM 201          HBD1      HEM 201   2.667  12.623   7.322
  661   2HBD  HEM 201          HBD2      HEM 201   1.452  11.382   7.652
  Start of MODEL    6
    1   1H    ALA   3           H1       ALA   3   1.442  -6.854 -19.815
    2   2H    ALA   3           H2       ALA   3   1.144  -8.451 -19.888
    3   3H    ALA   3           H3       ALA   3   0.950  -7.534 -21.262
    4    HA   ALA   3           HA       ALA   3  -1.130  -8.160 -19.955
    5   1HB   ALA   3           HB1      ALA   3  -1.139  -6.387 -21.695
    6   2HB   ALA   3           HB2      ALA   3  -2.152  -5.937 -20.313
    7   3HB   ALA   3           HB3      ALA   3  -0.543  -5.210 -20.501
    8    H    VAL   4           H        VAL   4  -2.481  -6.995 -18.112
    9    HA   VAL   4           HA       VAL   4  -0.681  -6.203 -15.860
   10    HB   VAL   4           HB       VAL   4  -3.589  -5.553 -16.395
   11   1HG1  VAL   4          HG11      VAL   4  -3.401  -4.105 -14.370
   12   2HG1  VAL   4          HG12      VAL   4  -3.270  -5.822 -13.985
   13   3HG1  VAL   4          HG13      VAL   4  -1.807  -4.812 -14.038
   14   1HG2  VAL   4          HG21      VAL   4  -2.030  -4.204 -17.772
   15   2HG2  VAL   4          HG22      VAL   4  -2.742  -3.202 -16.500
   16   3HG2  VAL   4          HG23      VAL   4  -1.083  -3.816 -16.317
   17    H    LYS   5           H        LYS   5  -0.668  -7.491 -14.172
   18    HA   LYS   5           HA       LYS   5  -2.501  -9.849 -14.023
   19   1HB   LYS   5           HB2      LYS   5  -0.147 -10.402 -13.922
   20   2HB   LYS   5           HB3      LYS   5   0.112  -9.278 -12.573
   21   1HG   LYS   5           HG2      LYS   5  -1.300 -10.588 -11.107
   22   2HG   LYS   5           HG3      LYS   5  -1.883 -11.587 -12.449
   23   1HD   LYS   5           HD2      LYS   5   0.337 -12.540 -12.786
   24   2HD   LYS   5           HD3      LYS   5   1.025 -11.470 -11.544
   25   1HE   LYS   5           HE2      LYS   5  -0.387 -12.530  -9.808
   26   2HE   LYS   5           HE3      LYS   5  -1.173 -13.545 -11.024
   27   1HZ   LYS   5           HZ1      LYS   5   0.545 -14.703  -9.815
   28   2HZ   LYS   5           HZ2      LYS   5   0.914 -14.629 -11.414
   29   3HZ   LYS   5           HZ3      LYS   5   1.694 -13.652 -10.340
   30    H    TYR   6           H        TYR   6  -4.323  -8.680 -13.401
   31    HA   TYR   6           HA       TYR   6  -4.403  -6.861 -11.165
   32   1HB   TYR   6           HB2      TYR   6  -6.650  -8.593 -12.228
   33   2HB   TYR   6           HB3      TYR   6  -6.719  -7.113 -11.252
   34    HD1  TYR   6           HD1      TYR   6  -6.693  -4.976 -12.218
   35    HD2  TYR   6           HD2      TYR   6  -6.058  -8.440 -14.676
   36    HE1  TYR   6           HE1      TYR   6  -6.732  -3.532 -14.239
   37    HE2  TYR   6           HE2      TYR   6  -6.120  -7.015 -16.702
   38    HH   TYR   6           HH       TYR   6  -6.498  -3.464 -16.529
   39    H    TYR   7           H        TYR   7  -5.332  -7.299  -9.035
   40    HA   TYR   7           HA       TYR   7  -4.988 -10.135  -8.136
   41   1HB   TYR   7           HB2      TYR   7  -4.233  -7.692  -6.519
   42   2HB   TYR   7           HB3      TYR   7  -3.955  -9.375  -6.130
   43    HD1  TYR   7           HD1      TYR   7  -2.711  -6.441  -7.910
   44    HD2  TYR   7           HD2      TYR   7  -2.283 -10.711  -7.537
   45    HE1  TYR   7           HE1      TYR   7  -0.465  -6.314  -8.938
   46    HE2  TYR   7           HE2      TYR   7   0.001 -10.561  -8.491
   47    HH   TYR   7           HH       TYR   7   1.686  -9.138  -9.193
   48    H    THR   8           H        THR   8  -6.446 -10.939  -6.800
   49    HA   THR   8           HA       THR   8  -8.990  -9.629  -6.452
   50    HB   THR   8           HB       THR   8  -9.170 -12.076  -5.282
   51    HG1  THR   8           HG1      THR   8  -7.343 -13.141  -5.530
   52   1HG2  THR   8          HG21      THR   8  -8.710 -11.703  -8.270
   53   2HG2  THR   8          HG22      THR   8  -9.603 -13.033  -7.508
   54   3HG2  THR   8          HG23      THR   8 -10.263 -11.386  -7.445
   55    H    LEU   9           H        LEU   9  -9.977  -9.229  -4.444
   56    HA   LEU   9           HA       LEU   9  -8.467  -7.917  -2.562
   57   1HB   LEU   9           HB2      LEU   9 -11.119  -8.297  -3.016
   58   2HB   LEU   9           HB3      LEU   9 -10.983  -9.245  -1.584
   59    HG   LEU   9           HG       LEU   9 -10.261  -6.298  -1.948
   60   1HD1  LEU   9          HD11      LEU   9 -12.341  -7.641  -0.167
   61   2HD1  LEU   9          HD12      LEU   9 -12.069  -5.894  -0.349
   62   3HD1  LEU   9          HD13      LEU   9 -12.681  -6.840  -1.713
   63   1HD2  LEU   9          HD21      LEU   9  -9.835  -6.254   0.527
   64   2HD2  LEU   9          HD22      LEU   9  -9.891  -8.029   0.538
   65   3HD2  LEU   9          HD23      LEU   9  -8.617  -7.168  -0.360
   66    H    GLU  10           H        GLU  10  -9.666 -11.232  -2.453
   67    HA   GLU  10           HA       GLU  10  -8.827 -12.163   0.016
   68   1HB   GLU  10           HB2      GLU  10 -10.215 -13.370  -1.621
   69   2HB   GLU  10           HB3      GLU  10  -8.845 -13.569  -2.676
   70   1HG   GLU  10           HG2      GLU  10  -9.232 -15.642  -1.559
   71   2HG   GLU  10           HG3      GLU  10  -7.709 -14.983  -0.983
   72    H    GLU  11           H        GLU  11  -6.973 -12.704  -3.025
   73    HA   GLU  11           HA       GLU  11  -4.553 -13.425  -2.005
   74   1HB   GLU  11           HB2      GLU  11  -5.429 -11.956  -4.486
   75   2HB   GLU  11           HB3      GLU  11  -3.716 -12.164  -4.154
   76   1HG   GLU  11           HG2      GLU  11  -4.693 -13.993  -5.581
   77   2HG   GLU  11           HG3      GLU  11  -3.881 -14.558  -4.112
   78    H    ILE  12           H        ILE  12  -5.523 -10.029  -2.744
   79    HA   ILE  12           HA       ILE  12  -3.093  -8.890  -1.795
   80    HB   ILE  12           HB       ILE  12  -5.831  -7.601  -1.671
   81   1HG1  ILE  12          HG12      ILE  12  -3.781  -7.281  -3.917
   82   2HG1  ILE  12          HG13      ILE  12  -5.005  -8.519  -4.009
   83   1HG2  ILE  12          HG21      ILE  12  -3.116  -6.254  -2.026
   84   2HG2  ILE  12          HG22      ILE  12  -4.664  -5.478  -1.689
   85   3HG2  ILE  12          HG23      ILE  12  -3.863  -6.433  -0.440
   86   1HD1  ILE  12          HD11      ILE  12  -5.541  -5.547  -3.788
   87   2HD1  ILE  12          HD12      ILE  12  -5.774  -6.574  -5.205
   88   3HD1  ILE  12          HD13      ILE  12  -6.786  -6.823  -3.782
   89    H    GLN  13           H        GLN  13  -6.043  -9.724   0.038
   90    HA   GLN  13           HA       GLN  13  -5.148  -8.856   2.592
   91   1HB   GLN  13           HB2      GLN  13  -7.362 -10.564   1.487
   92   2HB   GLN  13           HB3      GLN  13  -6.944 -10.810   3.158
   93   1HG   GLN  13           HG2      GLN  13  -7.605  -8.112   1.907
   94   2HG   GLN  13           HG3      GLN  13  -8.768  -9.128   2.772
   95   1HE2  GLN  13          HE21      GLN  13  -8.144  -6.436   3.555
   96   2HE2  GLN  13          HE22      GLN  13  -7.382  -6.533   5.134
   97    H    LYS  14           H        LYS  14  -3.959 -11.548   0.808
   98    HA   LYS  14           HA       LYS  14  -3.061 -12.990   3.211
   99   1HB   LYS  14           HB2      LYS  14  -1.968 -13.194   0.391
  100   2HB   LYS  14           HB3      LYS  14  -1.802 -14.358   1.693
  101   1HG   LYS  14           HG2      LYS  14  -4.416 -13.628   0.337
  102   2HG   LYS  14           HG3      LYS  14  -3.412 -14.982  -0.139
  103   1HD   LYS  14           HD2      LYS  14  -3.822 -16.166   1.883
  104   2HD   LYS  14           HD3      LYS  14  -4.505 -14.730   2.692
  105   1HE   LYS  14           HE2      LYS  14  -6.407 -14.665   1.196
  106   2HE   LYS  14           HE3      LYS  14  -5.752 -15.959   0.182
  107   1HZ   LYS  14           HZ1      LYS  14  -6.127 -17.493   1.946
  108   2HZ   LYS  14           HZ2      LYS  14  -6.593 -16.281   2.988
  109   3HZ   LYS  14           HZ3      LYS  14  -7.493 -16.612   1.669
  110    H    HIS  15           H        HIS  15  -1.974 -10.334   1.163
  111    HA   HIS  15           HA       HIS  15   0.860 -10.653   2.020
  112   1HB   HIS  15           HB2      HIS  15  -0.505  -8.966  -0.082
  113   2HB   HIS  15           HB3      HIS  15   1.191  -8.777   0.390
  114    HD1  HIS  15           HD1      HIS  15   2.870 -10.216  -0.886
  115    HD2  HIS  15           HD2      HIS  15  -1.057 -11.638  -1.028
  116    HE1  HIS  15           HE1      HIS  15   2.844 -12.098  -2.624
  117    H    ASN  16           H        ASN  16  -0.149 -10.106   4.278
  118    HA   ASN  16           HA       ASN  16   0.351  -7.258   4.833
  119   1HB   ASN  16           HB2      ASN  16  -1.862  -6.905   5.853
  120   2HB   ASN  16           HB3      ASN  16  -1.940  -7.150   4.093
  121   1HD2  ASN  16          HD21      ASN  16  -4.205  -7.288   5.402
  122   2HD2  ASN  16          HD22      ASN  16  -4.801  -8.951   5.339
  123    H    ASN  17           H        ASN  17   2.036  -8.693   5.831
  124    HA   ASN  17           HA       ASN  17   1.419  -8.622   8.703
  125   1HB   ASN  17           HB2      ASN  17   0.604 -10.862   8.131
  126   2HB   ASN  17           HB3      ASN  17   2.173 -11.281   7.447
  127   1HD2  ASN  17          HD21      ASN  17   0.728 -12.625   9.621
  128   2HD2  ASN  17          HD22      ASN  17   1.776 -12.520  11.024
  129    H    SER  18           H        SER  18   3.826 -10.131   6.548
  130    HA   SER  18           HA       SER  18   5.938  -8.299   7.356
  131   1HB   SER  18           HB2      SER  18   5.823  -9.660   9.400
  132   2HB   SER  18           HB3      SER  18   5.920 -11.151   8.455
  133    HG   SER  18           HG       SER  18   7.921  -9.135   8.590
  134    H    LYS  19           H        LYS  19   5.212 -11.580   6.095
  135    HA   LYS  19           HA       LYS  19   7.226 -11.912   4.223
  136   1HB   LYS  19           HB2      LYS  19   4.252 -12.580   4.085
  137   2HB   LYS  19           HB3      LYS  19   5.410 -13.074   2.853
  138   1HG   LYS  19           HG2      LYS  19   5.953 -14.857   3.988
  139   2HG   LYS  19           HG3      LYS  19   6.619 -13.859   5.290
  140   1HD   LYS  19           HD2      LYS  19   4.516 -13.925   6.514
  141   2HD   LYS  19           HD3      LYS  19   3.648 -14.544   5.105
  142   1HE   LYS  19           HE2      LYS  19   4.007 -16.321   6.761
  143   2HE   LYS  19           HE3      LYS  19   4.752 -16.684   5.201
  144   1HZ   LYS  19           HZ1      LYS  19   6.186 -15.688   7.581
  145   2HZ   LYS  19           HZ2      LYS  19   6.192 -17.232   7.020
  146   3HZ   LYS  19           HZ3      LYS  19   6.873 -16.039   6.124
  147    H    SER  20           H        SER  20   4.204  -9.910   3.763
  148    HA   SER  20           HA       SER  20   5.714  -8.065   2.337
  149   1HB   SER  20           HB2      SER  20   4.072  -8.246   0.260
  150   2HB   SER  20           HB3      SER  20   5.565  -9.190   0.314
  151    HG   SER  20           HG       SER  20   4.346 -10.928   1.143
  152    H    THR  21           H        THR  21   4.166  -6.325   1.441
  153    HA   THR  21           HA       THR  21   1.766  -5.951   3.130
  154    HB   THR  21           HB       THR  21   4.249  -4.217   3.092
  155    HG1  THR  21           HG1      THR  21   3.860  -4.433   5.351
  156   1HG2  THR  21          HG21      THR  21   1.396  -3.371   3.454
  157   2HG2  THR  21          HG22      THR  21   2.598  -2.718   4.583
  158   3HG2  THR  21          HG23      THR  21   2.780  -2.471   2.840
  159    H    TRP  22           H        TRP  22   0.553  -6.281   1.308
  160    HA   TRP  22           HA       TRP  22   0.771  -4.344  -0.928
  161   1HB   TRP  22           HB2      TRP  22  -0.960  -6.810  -0.583
  162   2HB   TRP  22           HB3      TRP  22  -0.943  -5.719  -1.959
  163    HD1  TRP  22           HD1      TRP  22   2.560  -6.384  -1.029
  164    HE1  TRP  22           HE1      TRP  22   3.641  -7.875  -2.714
  165    HE3  TRP  22           HE3      TRP  22  -1.673  -8.018  -3.360
  166    HZ2  TRP  22           HZ2      TRP  22   2.757  -9.737  -4.826
  167    HZ3  TRP  22           HZ3      TRP  22  -1.546  -9.682  -5.164
  168    HH2  TRP  22           HH2      TRP  22   0.670 -10.565  -5.913
  169    H    LEU  23           H        LEU  23  -1.353  -3.340  -1.516
  170    HA   LEU  23           HA       LEU  23  -3.599  -3.354   0.194
  171   1HB   LEU  23           HB2      LEU  23  -3.329  -0.955   1.049
  172   2HB   LEU  23           HB3      LEU  23  -2.451  -2.226   1.857
  173    HG   LEU  23           HG       LEU  23  -0.431  -1.549   0.269
  174   1HD1  LEU  23          HD11      LEU  23  -1.813   0.090  -1.097
  175   2HD1  LEU  23          HD12      LEU  23  -2.015   1.018   0.411
  176   3HD1  LEU  23          HD13      LEU  23  -0.406   0.813  -0.303
  177   1HD2  LEU  23          HD21      LEU  23   0.218   0.149   1.924
  178   2HD2  LEU  23          HD22      LEU  23  -1.441   0.101   2.594
  179   3HD2  LEU  23          HD23      LEU  23  -0.396  -1.339   2.678
  180    H    ILE  24           H        ILE  24  -5.035  -1.452  -0.391
  181    HA   ILE  24           HA       ILE  24  -4.881  -1.069  -3.358
  182    HB   ILE  24           HB       ILE  24  -7.291  -1.550  -1.584
  183   1HG1  ILE  24          HG12      ILE  24  -6.373  -3.115  -4.035
  184   2HG1  ILE  24          HG13      ILE  24  -5.811  -3.521  -2.412
  185   1HG2  ILE  24          HG21      ILE  24  -8.574  -1.389  -3.776
  186   2HG2  ILE  24          HG22      ILE  24  -7.897   0.142  -3.259
  187   3HG2  ILE  24          HG23      ILE  24  -7.084  -0.795  -4.531
  188   1HD1  ILE  24          HD11      ILE  24  -8.743  -3.503  -3.258
  189   2HD1  ILE  24          HD12      ILE  24  -7.741  -4.915  -2.919
  190   3HD1  ILE  24          HD13      ILE  24  -8.149  -3.797  -1.617
  191    H    LEU  25           H        LEU  25  -4.427   0.986  -3.798
  192    HA   LEU  25           HA       LEU  25  -5.830   3.193  -2.319
  193   1HB   LEU  25           HB2      LEU  25  -3.069   3.054  -3.493
  194   2HB   LEU  25           HB3      LEU  25  -3.959   4.555  -3.319
  195    HG   LEU  25           HG       LEU  25  -3.665   4.797  -1.182
  196   1HD1  LEU  25          HD11      LEU  25  -3.574   1.820  -0.881
  197   2HD1  LEU  25          HD12      LEU  25  -3.340   2.980   0.460
  198   3HD1  LEU  25          HD13      LEU  25  -4.869   2.949  -0.422
  199   1HD2  LEU  25          HD21      LEU  25  -1.382   4.076  -0.503
  200   2HD2  LEU  25          HD22      LEU  25  -1.345   2.898  -1.815
  201   3HD2  LEU  25          HD23      LEU  25  -1.426   4.637  -2.183
  202    H    HIS  26           H        HIS  26  -7.541   3.625  -3.535
  203    HA   HIS  26           HA       HIS  26  -8.829   4.218  -5.287
  204   1HB   HIS  26           HB2      HIS  26  -6.285   5.081  -6.678
  205   2HB   HIS  26           HB3      HIS  26  -7.927   5.643  -6.997
  206    HD1  HIS  26           HD1      HIS  26  -8.999   7.297  -5.022
  207    HD2  HIS  26           HD2      HIS  26  -4.976   6.150  -4.679
  208    HE1  HIS  26           HE1      HIS  26  -7.950   8.848  -3.285
  209    H    TYR  27           H        TYR  27  -8.382   1.580  -5.169
  210    HA   TYR  27           HA       TYR  27  -8.663  -0.356  -6.252
  211   1HB   TYR  27           HB2      TYR  27  -8.962   1.145  -8.861
  212   2HB   TYR  27           HB3      TYR  27  -9.572  -0.442  -8.433
  213    HD1  TYR  27           HD1      TYR  27 -11.134  -0.470  -6.221
  214    HD2  TYR  27           HD2      TYR  27 -10.538   2.908  -8.836
  215    HE1  TYR  27           HE1      TYR  27 -13.313   0.440  -5.529
  216    HE2  TYR  27           HE2      TYR  27 -12.729   3.830  -8.127
  217    HH   TYR  27           HH       TYR  27 -14.858   2.139  -5.815
  218    H    LYS  28           H        LYS  28  -5.872   1.287  -6.450
  219    HA   LYS  28           HA       LYS  28  -4.602  -0.557  -8.423
  220   1HB   LYS  28           HB2      LYS  28  -3.777   2.194  -7.471
  221   2HB   LYS  28           HB3      LYS  28  -2.855   1.153  -8.575
  222   1HG   LYS  28           HG2      LYS  28  -4.793   1.128 -10.120
  223   2HG   LYS  28           HG3      LYS  28  -5.706   2.153  -8.991
  224   1HD   LYS  28           HD2      LYS  28  -3.826   3.884  -9.329
  225   2HD   LYS  28           HD3      LYS  28  -3.339   2.894 -10.713
  226   1HE   LYS  28           HE2      LYS  28  -5.886   4.475 -10.252
  227   2HE   LYS  28           HE3      LYS  28  -4.810   4.509 -11.655
  228   1HZ   LYS  28           HZ1      LYS  28  -5.745   2.173 -12.147
  229   2HZ   LYS  28           HZ2      LYS  28  -6.759   2.410 -10.923
  230   3HZ   LYS  28           HZ3      LYS  28  -6.824   3.389 -12.223
  231    H    VAL  29           H        VAL  29  -3.067  -1.981  -7.704
  232    HA   VAL  29           HA       VAL  29  -2.861  -2.189  -4.787
  233    HB   VAL  29           HB       VAL  29  -1.887  -4.241  -6.756
  234   1HG1  VAL  29          HG11      VAL  29  -1.256  -4.341  -4.272
  235   2HG1  VAL  29          HG12      VAL  29  -2.982  -4.449  -3.908
  236   3HG1  VAL  29          HG13      VAL  29  -2.195  -5.729  -4.853
  237   1HG2  VAL  29          HG21      VAL  29  -4.076  -5.370  -6.381
  238   2HG2  VAL  29          HG22      VAL  29  -4.694  -3.877  -5.641
  239   3HG2  VAL  29          HG23      VAL  29  -4.198  -3.896  -7.348
  240    H    TYR  30           H        TYR  30  -1.029  -1.791  -3.707
  241    HA   TYR  30           HA       TYR  30   1.533  -1.287  -5.194
  242   1HB   TYR  30           HB2      TYR  30   0.339   0.115  -2.772
  243   2HB   TYR  30           HB3      TYR  30   1.936   0.427  -3.430
  244    HD1  TYR  30           HD1      TYR  30  -1.679   0.949  -3.842
  245    HD2  TYR  30           HD2      TYR  30   2.135   1.392  -5.757
  246    HE1  TYR  30           HE1      TYR  30  -2.693   2.445  -5.528
  247    HE2  TYR  30           HE2      TYR  30   1.115   2.980  -7.403
  248    HH   TYR  30           HH       TYR  30  -2.314   3.915  -7.214
  249    H    ASP  31           H        ASP  31   3.066  -2.789  -4.590
  250    HA   ASP  31           HA       ASP  31   2.920  -4.004  -1.866
  251   1HB   ASP  31           HB2      ASP  31   3.385  -5.544  -3.781
  252   2HB   ASP  31           HB3      ASP  31   4.882  -4.660  -4.093
  253    H    LEU  32           H        LEU  32   3.997  -2.865  -0.336
  254    HA   LEU  32           HA       LEU  32   6.431  -1.345  -1.143
  255   1HB   LEU  32           HB2      LEU  32   4.570  -0.624   1.091
  256   2HB   LEU  32           HB3      LEU  32   5.872   0.334   0.481
  257    HG   LEU  32           HG       LEU  32   4.154  -0.167  -1.783
  258   1HD1  LEU  32          HD11      LEU  32   2.667   1.047   0.573
  259   2HD1  LEU  32          HD12      LEU  32   2.048   0.730  -1.065
  260   3HD1  LEU  32          HD13      LEU  32   2.427  -0.619   0.001
  261   1HD2  LEU  32          HD21      LEU  32   5.797   1.636  -1.354
  262   2HD2  LEU  32          HD22      LEU  32   4.248   2.148  -2.016
  263   3HD2  LEU  32          HD23      LEU  32   4.608   2.399  -0.277
  264    H    THR  33           H        THR  33   5.967  -4.202  -0.136
  265    HA   THR  33           HA       THR  33   6.680  -4.543   2.502
  266    HB   THR  33           HB       THR  33   6.137  -6.327   0.965
  267    HG1  THR  33           HG1      THR  33   7.418  -6.704   2.931
  268   1HG2  THR  33          HG21      THR  33   8.945  -6.371  -0.137
  269   2HG2  THR  33          HG22      THR  33   7.537  -7.355  -0.571
  270   3HG2  THR  33          HG23      THR  33   7.570  -5.643  -1.007
  271    H    LYS  34           H        LYS  34   8.918  -3.938  -0.184
  272    HA   LYS  34           HA       LYS  34  11.237  -4.130   1.570
  273   1HB   LYS  34           HB2      LYS  34  10.904  -4.696  -1.009
  274   2HB   LYS  34           HB3      LYS  34  11.516  -3.058  -1.208
  275   1HG   LYS  34           HG2      LYS  34  12.882  -5.324   0.375
  276   2HG   LYS  34           HG3      LYS  34  13.169  -4.923  -1.306
  277   1HD   LYS  34           HD2      LYS  34  14.928  -3.779  -0.422
  278   2HD   LYS  34           HD3      LYS  34  13.713  -2.505  -0.398
  279   1HE   LYS  34           HE2      LYS  34  13.297  -3.634   2.094
  280   2HE   LYS  34           HE3      LYS  34  14.984  -4.063   1.867
  281   1HZ   LYS  34           HZ1      LYS  34  14.536  -1.965   2.993
  282   2HZ   LYS  34           HZ2      LYS  34  15.425  -1.658   1.627
  283   3HZ   LYS  34           HZ3      LYS  34  13.855  -1.317   1.645
  284    H    PHE  35           H        PHE  35   8.920  -1.807   1.335
  285    HA   PHE  35           HA       PHE  35  10.755   0.521   1.570
  286   1HB   PHE  35           HB2      PHE  35   8.796   0.210  -0.280
  287   2HB   PHE  35           HB3      PHE  35   7.835   0.639   1.073
  288    HD1  PHE  35           HD1      PHE  35  11.138   1.857  -0.294
  289    HD2  PHE  35           HD2      PHE  35   7.187   2.928   1.080
  290    HE1  PHE  35           HE1      PHE  35  11.692   4.226  -0.574
  291    HE2  PHE  35           HE2      PHE  35   7.734   5.323   0.739
  292    HZ   PHE  35           HZ       PHE  35   9.992   5.984  -0.075
  293    H    LEU  36           H        LEU  36   9.103  -1.704   3.515
  294    HA   LEU  36           HA       LEU  36   7.460  -0.093   5.116
  295   1HB   LEU  36           HB2      LEU  36   9.150  -2.556   5.721
  296   2HB   LEU  36           HB3      LEU  36   8.021  -1.881   6.896
  297    HG   LEU  36           HG       LEU  36   7.179  -2.783   4.114
  298   1HD1  LEU  36          HD11      LEU  36   6.974  -4.231   6.784
  299   2HD1  LEU  36          HD12      LEU  36   6.339  -4.811   5.225
  300   3HD1  LEU  36          HD13      LEU  36   8.091  -4.647   5.466
  301   1HD2  LEU  36          HD21      LEU  36   4.920  -2.779   5.154
  302   2HD2  LEU  36          HD22      LEU  36   5.603  -2.018   6.605
  303   3HD2  LEU  36          HD23      LEU  36   5.623  -1.177   5.035
  304    H    GLU  37           H        GLU  37  10.859  -1.004   5.813
  305    HA   GLU  37           HA       GLU  37  11.105   0.748   8.053
  306   1HB   GLU  37           HB2      GLU  37  13.437   0.284   7.933
  307   2HB   GLU  37           HB3      GLU  37  12.539  -1.215   7.705
  308   1HG   GLU  37           HG2      GLU  37  13.731   0.344   5.357
  309   2HG   GLU  37           HG3      GLU  37  14.648  -0.795   6.321
  310    H    GLU  38           H        GLU  38  11.492   1.190   4.609
  311    HA   GLU  38           HA       GLU  38  12.950   3.647   4.663
  312   1HB   GLU  38           HB2      GLU  38  11.227   2.501   2.457
  313   2HB   GLU  38           HB3      GLU  38  12.525   3.654   2.274
  314   1HG   GLU  38           HG2      GLU  38  14.076   1.887   3.331
  315   2HG   GLU  38           HG3      GLU  38  12.770   0.719   3.079
  316    H    HIS  39           HN       HIS  39   9.502   2.861   4.506
  317    HA   HIS  39           HA       HIS  39   8.487   5.314   3.677
  318   1HB   HIS  39           HB2      HIS  39   7.201   3.276   3.657
  319   2HB   HIS  39           HB3      HIS  39   7.254   3.165   5.417
  320    HD1  HIS  39           HND      HIS  39   5.023   3.893   6.469
  321    HD2  HIS  39           HD       HIS  39   5.896   5.752   2.785
  322    HE1  HIS  39           HE       HIS  39   3.007   5.312   5.871
  323    HA   PRO  40           HA       PRO  40   9.605   7.490   7.512
  324   1HB   PRO  40           HB2      PRO  40   8.811  10.028   6.880
  325   2HB   PRO  40           HB3      PRO  40  10.269   9.259   6.187
  326   1HG   PRO  40           HG2      PRO  40   7.508   9.400   4.960
  327   2HG   PRO  40           HG3      PRO  40   9.060   9.851   4.190
  328   1HD   PRO  40           HD2      PRO  40   7.924   7.437   3.781
  329   2HD   PRO  40           HD3      PRO  40   9.700   7.559   3.984
  330    H    GLY  41           H        GLY  41   6.390   7.389   6.032
  331   1HA   GLY  41           HA1      GLY  41   4.892   8.321   8.305
  332   2HA   GLY  41           HA2      GLY  41   4.315   7.307   6.974
  333    H    GLY  42           H        GLY  42   6.875   5.540   8.025
  334   1HA   GLY  42           HA1      GLY  42   7.265   4.243   9.900
  335   2HA   GLY  42           HA2      GLY  42   5.588   4.385  10.437
  336    H    GLU  43           H        GLU  43   7.409   2.040   9.869
  337    HA   GLU  43           HA       GLU  43   6.245   0.505   7.755
  338   1HB   GLU  43           HB2      GLU  43   7.204  -1.411   9.010
  339   2HB   GLU  43           HB3      GLU  43   8.374  -0.155   8.613
  340   1HG   GLU  43           HG2      GLU  43   8.512   0.627  10.874
  341   2HG   GLU  43           HG3      GLU  43   7.165  -0.402  11.398
  342    H    ALA  44           H        ALA  44   5.563   0.838  11.231
  343    HA   ALA  44           HA       ALA  44   3.694  -1.218  11.542
  344   1HB   ALA  44           HB1      ALA  44   4.689   0.017  13.419
  345   2HB   ALA  44           HB2      ALA  44   3.787   1.480  12.964
  346   3HB   ALA  44           HB3      ALA  44   2.918   0.034  13.522
  347    H    VAL  45           H        VAL  45   3.115   2.201  10.715
  348    HA   VAL  45           HA       VAL  45   0.310   2.142  10.530
  349    HB   VAL  45           HB       VAL  45   2.450   3.836   9.181
  350   1HG1  VAL  45          HG11      VAL  45   0.592   5.515   8.857
  351   2HG1  VAL  45          HG12      VAL  45   0.560   4.116   7.785
  352   3HG1  VAL  45          HG13      VAL  45  -0.565   4.205   9.175
  353   1HG2  VAL  45          HG21      VAL  45   2.334   3.993  11.663
  354   2HG2  VAL  45          HG22      VAL  45   1.780   5.487  10.903
  355   3HG2  VAL  45          HG23      VAL  45   0.596   4.340  11.556
  356    H    LEU  46           H        LEU  46   2.732   1.697   7.883
  357    HA   LEU  46           HA       LEU  46   0.840   1.002   5.873
  358   1HB   LEU  46           HB2      LEU  46   3.785   0.502   6.332
  359   2HB   LEU  46           HB3      LEU  46   2.978  -0.435   5.079
  360    HG   LEU  46           HG       LEU  46   2.904   2.597   5.148
  361   1HD1  LEU  46          HD11      LEU  46   4.617   2.451   3.355
  362   2HD1  LEU  46          HD12      LEU  46   5.229   1.731   4.860
  363   3HD1  LEU  46          HD13      LEU  46   4.674   0.689   3.537
  364   1HD2  LEU  46          HD21      LEU  46   1.067   1.598   3.810
  365   2HD2  LEU  46          HD22      LEU  46   2.292   2.274   2.736
  366   3HD2  LEU  46          HD23      LEU  46   2.233   0.524   3.009
  367    H    ARG  47           H        ARG  47   2.554  -1.038   8.237
  368    HA   ARG  47           HA       ARG  47   1.796  -3.545   7.107
  369   1HB   ARG  47           HB2      ARG  47   3.722  -3.168   8.599
  370   2HB   ARG  47           HB3      ARG  47   2.623  -2.805   9.944
  371   1HG   ARG  47           HG2      ARG  47   1.706  -5.105   9.815
  372   2HG   ARG  47           HG3      ARG  47   2.782  -5.468   8.457
  373   1HD   ARG  47           HD2      ARG  47   3.695  -4.643  11.265
  374   2HD   ARG  47           HD3      ARG  47   3.572  -6.291  10.689
  375    HE   ARG  47           HE       ARG  47   5.282  -6.023   9.129
  376   1HH1  ARG  47          HH11      ARG  47   8.062  -3.929   9.901
  377   2HH1  ARG  47          HH12      ARG  47   7.594  -5.337   8.942
  378   1HH2  ARG  47          HH21      ARG  47   6.769  -2.811  11.086
  379   2HH2  ARG  47          HH22      ARG  47   5.030  -3.111  11.236
  380    H    ALA  48           H        ALA  48   0.352  -1.412   9.533
  381    HA   ALA  48           HA       ALA  48  -1.725  -3.154  10.430
  382   1HB   ALA  48           HB1      ALA  48  -0.912  -1.225  11.684
  383   2HB   ALA  48           HB2      ALA  48  -1.423  -0.124  10.397
  384   3HB   ALA  48           HB3      ALA  48  -2.648  -1.019  11.338
  385    H    GLN  49           H        GLN  49  -1.671  -0.502   7.957
  386    HA   GLN  49           HA       GLN  49  -4.429  -1.028   7.179
  387   1HB   GLN  49           HB2      GLN  49  -2.188   0.814   6.382
  388   2HB   GLN  49           HB3      GLN  49  -3.498   0.587   5.240
  389   1HG   GLN  49           HG2      GLN  49  -3.903   1.440   8.134
  390   2HG   GLN  49           HG3      GLN  49  -3.870   2.530   6.733
  391   1HE2  GLN  49          HE21      GLN  49  -6.113   2.542   8.390
  392   2HE2  GLN  49          HE22      GLN  49  -7.438   1.843   7.467
  393    H    ALA  50           H        ALA  50  -1.407  -2.462   6.301
  394    HA   ALA  50           HA       ALA  50  -1.716  -3.172   3.707
  395   1HB   ALA  50           HB1      ALA  50  -0.770  -5.036   5.907
  396   2HB   ALA  50           HB2      ALA  50  -0.332  -5.101   4.181
  397   3HB   ALA  50           HB3      ALA  50   0.188  -3.745   5.204
  398    H    GLY  51           H        GLY  51  -2.827  -4.659   2.472
  399   1HA   GLY  51           HA1      GLY  51  -3.857  -6.915   2.527
  400   2HA   GLY  51           HA2      GLY  51  -4.962  -6.327   3.781
  401    H    GLY  52           H        GLY  52  -5.341  -3.643   2.544
  402   1HA   GLY  52           HA1      GLY  52  -6.373  -3.538   0.031
  403   2HA   GLY  52           HA2      GLY  52  -7.601  -4.476   0.922
  404    H    ASP  53           H        ASP  53  -8.811  -2.452   0.317
  405    HA   ASP  53           HA       ASP  53  -9.101  -0.131   0.455
  406   1HB   ASP  53           HB2      ASP  53 -11.031  -1.483   1.179
  407   2HB   ASP  53           HB3      ASP  53 -10.459  -1.386   2.855
  408    H    ALA  54           H        ALA  54  -6.857   0.537   0.918
  409    HA   ALA  54           HA       ALA  54  -6.781   1.985   3.557
  410   1HB   ALA  54           HB1      ALA  54  -4.481   1.228   1.722
  411   2HB   ALA  54           HB2      ALA  54  -4.382   2.199   3.213
  412   3HB   ALA  54           HB3      ALA  54  -4.859   0.480   3.289
  413    H    THR  55           H        THR  55  -8.059   2.399   0.671
  414    HA   THR  55           HA       THR  55  -6.605   4.556  -0.522
  415    HB   THR  55           HB       THR  55  -9.568   3.826  -0.713
  416    HG1  THR  55           HG1      THR  55  -7.710   2.294  -1.386
  417   1HG2  THR  55          HG21      THR  55  -7.723   5.503  -2.474
  418   2HG2  THR  55          HG22      THR  55  -9.373   5.000  -2.926
  419   3HG2  THR  55          HG23      THR  55  -9.124   6.107  -1.566
  420    H    ALA  56           H        ALA  56  -9.479   4.481   1.624
  421    HA   ALA  56           HA       ALA  56  -9.736   7.293   1.905
  422   1HB   ALA  56           HB1      ALA  56 -10.514   5.056   3.838
  423   2HB   ALA  56           HB2      ALA  56 -11.100   6.733   3.890
  424   3HB   ALA  56           HB3      ALA  56 -11.514   5.693   2.513
  425    H    ASN  57           H        ASN  57  -7.956   4.899   3.927
  426    HA   ASN  57           HA       ASN  57  -7.138   6.785   5.876
  427   1HB   ASN  57           HB2      ASN  57  -7.034   4.221   5.968
  428   2HB   ASN  57           HB3      ASN  57  -5.515   4.341   5.072
  429   1HD2  ASN  57          HD21      ASN  57  -7.209   5.225   8.104
  430   2HD2  ASN  57          HD22      ASN  57  -5.743   5.527   9.022
  431    H    PHE  58           H        PHE  58  -5.419   5.561   2.981
  432    HA   PHE  58           HA       PHE  58  -3.110   7.124   3.055
  433   1HB   PHE  58           HB2      PHE  58  -3.476   5.308   1.485
  434   2HB   PHE  58           HB3      PHE  58  -4.779   6.181   0.700
  435    HD1  PHE  58           HD1      PHE  58  -1.103   6.233   1.332
  436    HD2  PHE  58           HD2      PHE  58  -4.345   7.760  -1.062
  437    HE1  PHE  58           HE1      PHE  58   0.525   7.035  -0.361
  438    HE2  PHE  58           HE2      PHE  58  -2.721   8.592  -2.728
  439    HZ   PHE  58           HZ       PHE  58  -0.278   8.209  -2.398
  440    H    GLU  59           H        GLU  59  -6.235   7.998   1.370
  441    HA   GLU  59           HA       GLU  59  -5.133  10.510   0.580
  442   1HB   GLU  59           HB2      GLU  59  -7.190  10.988  -0.449
  443   2HB   GLU  59           HB3      GLU  59  -6.744   9.309  -0.738
  444   1HG   GLU  59           HG2      GLU  59  -8.995   9.079  -0.317
  445   2HG   GLU  59           HG3      GLU  59  -8.316   8.801   1.290
  446    H    ALA  60           H        ALA  60  -7.318   9.567   3.224
  447    HA   ALA  60           HA       ALA  60  -7.850  12.060   4.343
  448   1HB   ALA  60           HB1      ALA  60  -8.094  10.830   6.488
  449   2HB   ALA  60           HB2      ALA  60  -8.882   9.993   5.138
  450   3HB   ALA  60           HB3      ALA  60  -7.324   9.406   5.757
  451    H    VAL  61           H        VAL  61  -4.982   9.936   4.944
  452    HA   VAL  61           HA       VAL  61  -3.618  11.853   6.616
  453    HB   VAL  61           HB       VAL  61  -2.626   9.528   4.920
  454   1HG1  VAL  61          HG11      VAL  61  -0.533   9.703   6.217
  455   2HG1  VAL  61          HG12      VAL  61  -0.749  11.113   5.191
  456   3HG1  VAL  61          HG13      VAL  61  -1.088  11.231   6.931
  457   1HG2  VAL  61          HG21      VAL  61  -2.897   9.857   7.946
  458   2HG2  VAL  61          HG22      VAL  61  -4.074   9.001   6.943
  459   3HG2  VAL  61          HG23      VAL  61  -2.420   8.388   7.071
  460    H    GLY  62           H        GLY  62  -3.482  11.162   3.099
  461   1HA   GLY  62           HA1      GLY  62  -3.206  12.722   1.395
  462   2HA   GLY  62           HA2      GLY  62  -2.663  13.959   2.539
  463    H    HIS  63           HN       HIS  63  -1.387  13.063  -0.003
  464    HA   HIS  63           HA       HIS  63   1.319  12.437   0.954
  465   1HB   HIS  63           HB2      HIS  63  -0.391  10.616  -0.781
  466   2HB   HIS  63           HB3      HIS  63   1.358  10.654  -0.955
  467    HD1  HIS  63           HND      HIS  63  -1.208   9.799   1.852
  468    HD2  HIS  63           HD       HIS  63   2.788   9.242   0.662
  469    HE1  HIS  63           HE       HIS  63  -0.204   8.126   3.461
  470    H    SER  64           H        SER  64   2.857  13.248  -0.449
  471    HA   SER  64           HA       SER  64   1.934  15.419  -2.117
  472   1HB   SER  64           HB2      SER  64   4.748  14.404  -1.500
  473   2HB   SER  64           HB3      SER  64   4.354  15.931  -2.302
  474    HG   SER  64           HG       SER  64   3.759  15.189   0.364
  475    H    THR  65           H        THR  65   3.283  15.848  -4.250
  476    HA   THR  65           HA       THR  65   2.452  14.133  -6.332
  477    HB   THR  65           HB       THR  65   4.320  15.539  -7.512
  478    HG1  THR  65           HG1      THR  65   5.065  17.251  -6.190
  479   1HG2  THR  65          HG21      THR  65   2.102  16.990  -5.978
  480   2HG2  THR  65          HG22      THR  65   2.968  17.611  -7.398
  481   3HG2  THR  65          HG23      THR  65   1.925  16.188  -7.554
  482    H    ASP  66           H        ASP  66   5.729  14.653  -5.045
  483    HA   ASP  66           HA       ASP  66   7.197  12.614  -6.202
  484   1HB   ASP  66           HB2      ASP  66   8.043  14.196  -4.451
  485   2HB   ASP  66           HB3      ASP  66   7.090  13.411  -3.212
  486    H    ALA  67           H        ALA  67   5.365  12.260  -3.244
  487    HA   ALA  67           HA       ALA  67   5.664   9.464  -2.948
  488   1HB   ALA  67           HB1      ALA  67   3.802   9.543  -1.374
  489   2HB   ALA  67           HB2      ALA  67   4.929  10.892  -1.108
  490   3HB   ALA  67           HB3      ALA  67   3.379  11.177  -1.926
  491    H    ARG  68           H        ARG  68   3.176  11.311  -4.674
  492    HA   ARG  68           HA       ARG  68   1.433   9.194  -5.435
  493   1HB   ARG  68           HB2      ARG  68   1.599  11.972  -5.880
  494   2HB   ARG  68           HB3      ARG  68   1.891  11.302  -7.472
  495   1HG   ARG  68           HG2      ARG  68  -0.373  11.610  -7.448
  496   2HG   ARG  68           HG3      ARG  68  -0.259   9.890  -7.067
  497   1HD   ARG  68           HD2      ARG  68  -0.631  10.322  -4.700
  498   2HD   ARG  68           HD3      ARG  68  -0.446  12.055  -4.889
  499    HE   ARG  68           HE       ARG  68  -2.825  10.477  -5.317
  500   1HH1  ARG  68          HH11      ARG  68  -4.705  13.172  -6.601
  501   2HH1  ARG  68          HH12      ARG  68  -4.775  11.583  -5.915
  502   1HH2  ARG  68          HH21      ARG  68  -2.600  14.243  -6.881
  503   2HH2  ARG  68          HH22      ARG  68  -1.168  13.382  -6.405
  504    H    GLU  69           H        GLU  69   4.440  10.524  -6.820
  505    HA   GLU  69           HA       GLU  69   4.311   8.904  -9.247
  506   1HB   GLU  69           HB2      GLU  69   6.235  10.811  -7.976
  507   2HB   GLU  69           HB3      GLU  69   6.733   9.933  -9.403
  508   1HG   GLU  69           HG2      GLU  69   4.282  11.754  -9.159
  509   2HG   GLU  69           HG3      GLU  69   5.795  12.147  -9.983
  510    H    LEU  70           H        LEU  70   6.076   8.838  -6.233
  511    HA   LEU  70           HA       LEU  70   7.678   6.634  -6.634
  512   1HB   LEU  70           HB2      LEU  70   7.777   8.367  -4.842
  513   2HB   LEU  70           HB3      LEU  70   6.371   7.617  -4.095
  514    HG   LEU  70           HG       LEU  70   7.593   6.197  -2.934
  515   1HD1  LEU  70          HD11      LEU  70   9.187   5.627  -5.431
  516   2HD1  LEU  70          HD12      LEU  70   9.402   4.801  -3.873
  517   3HD1  LEU  70          HD13      LEU  70   7.825   4.730  -4.693
  518   1HD2  LEU  70          HD21      LEU  70   9.960   7.764  -4.015
  519   2HD2  LEU  70          HD22      LEU  70   8.922   8.244  -2.651
  520   3HD2  LEU  70          HD23      LEU  70   9.925   6.785  -2.531
  521    H    SER  71           H        SER  71   4.493   6.788  -5.032
  522    HA   SER  71           HA       SER  71   3.890   4.118  -4.749
  523   1HB   SER  71           HB2      SER  71   1.628   4.541  -4.767
  524   2HB   SER  71           HB3      SER  71   2.384   6.019  -4.119
  525    HG   SER  71           HG       SER  71   2.064   6.869  -6.284
  526    H    LYS  72           H        LYS  72   3.374   5.922  -7.879
  527    HA   LYS  72           HA       LYS  72   2.506   3.682  -9.355
  528   1HB   LYS  72           HB2      LYS  72   4.128   6.107 -10.241
  529   2HB   LYS  72           HB3      LYS  72   3.530   4.889 -11.342
  530   1HG   LYS  72           HG2      LYS  72   1.390   5.857  -9.549
  531   2HG   LYS  72           HG3      LYS  72   2.176   7.179 -10.428
  532   1HD   LYS  72           HD2      LYS  72   1.891   6.000 -12.561
  533   2HD   LYS  72           HD3      LYS  72   1.127   4.623 -11.733
  534   1HE   LYS  72           HE2      LYS  72  -0.767   6.022 -11.056
  535   2HE   LYS  72           HE3      LYS  72   0.030   7.479 -11.681
  536   1HZ   LYS  72           HZ1      LYS  72  -0.114   6.576 -13.880
  537   2HZ   LYS  72           HZ2      LYS  72  -0.827   5.196 -13.336
  538   3HZ   LYS  72           HZ3      LYS  72  -1.612   6.639 -13.210
  539    H    THR  73           H        THR  73   5.884   4.648  -8.535
  540    HA   THR  73           HA       THR  73   7.150   2.632 -10.121
  541    HB   THR  73           HB       THR  73   8.124   4.002  -7.571
  542    HG1  THR  73           HG1      THR  73   8.364   4.574 -10.329
  543   1HG2  THR  73          HG21      THR  73   9.648   2.361  -9.603
  544   2HG2  THR  73          HG22      THR  73  10.380   3.474  -8.423
  545   3HG2  THR  73          HG23      THR  73   9.479   2.068  -7.851
  546    H    PHE  74           H        PHE  74   5.504   2.509  -7.071
  547    HA   PHE  74           HA       PHE  74   6.327  -0.330  -6.612
  548   1HB   PHE  74           HB2      PHE  74   4.851   1.688  -4.885
  549   2HB   PHE  74           HB3      PHE  74   4.958  -0.019  -4.485
  550    HD1  PHE  74           HD1      PHE  74   6.455   3.013  -3.712
  551    HD2  PHE  74           HD2      PHE  74   7.369  -1.103  -4.612
  552    HE1  PHE  74           HE1      PHE  74   8.585   3.188  -2.438
  553    HE2  PHE  74           HE2      PHE  74   9.585  -0.849  -3.532
  554    HZ   PHE  74           HZ       PHE  74  10.214   1.321  -2.501
  555    H    ILE  75           H        ILE  75   4.121   1.099  -8.603
  556    HA   ILE  75           HA       ILE  75   1.750  -0.348  -7.840
  557    HB   ILE  75           HB       ILE  75   2.191   1.572  -9.628
  558   1HG1  ILE  75          HG12      ILE  75  -0.058  -0.441  -9.642
  559   2HG1  ILE  75          HG13      ILE  75   0.149   1.010  -8.626
  560   1HG2  ILE  75          HG21      ILE  75   1.870  -0.883 -11.384
  561   2HG2  ILE  75          HG22      ILE  75   1.935   0.813 -11.919
  562   3HG2  ILE  75          HG23      ILE  75   3.375   0.067 -11.247
  563   1HD1  ILE  75          HD11      ILE  75  -0.269   1.024 -11.612
  564   2HD1  ILE  75          HD12      ILE  75  -1.371   1.576 -10.340
  565   3HD1  ILE  75          HD13      ILE  75   0.160   2.441 -10.604
  566    H    ILE  76           H        ILE  76   1.380  -2.509  -7.900
  567    HA   ILE  76           HA       ILE  76   3.207  -4.215  -9.576
  568    HB   ILE  76           HB       ILE  76   2.264  -6.062  -8.205
  569   1HG1  ILE  76          HG12      ILE  76   1.420  -3.897  -6.223
  570   2HG1  ILE  76          HG13      ILE  76   0.279  -4.607  -7.361
  571   1HG2  ILE  76          HG21      ILE  76   4.510  -5.044  -7.863
  572   2HG2  ILE  76          HG22      ILE  76   3.813  -3.900  -6.702
  573   3HG2  ILE  76          HG23      ILE  76   3.828  -5.640  -6.353
  574   1HD1  ILE  76          HD11      ILE  76   0.763  -6.856  -6.464
  575   2HD1  ILE  76          HD12      ILE  76   1.918  -6.148  -5.323
  576   3HD1  ILE  76          HD13      ILE  76   0.207  -5.742  -5.203
  577    H    GLY  77           H        GLY  77  -0.160  -3.159  -9.107
  578   1HA   GLY  77           HA1      GLY  77  -0.958  -3.593 -11.723
  579   2HA   GLY  77           HA2      GLY  77  -1.351  -5.093 -10.851
  580    H    GLU  78           H        GLU  78  -3.546  -4.621 -11.140
  581    HA   GLU  78           HA       GLU  78  -4.658  -2.436  -9.472
  582   1HB   GLU  78           HB2      GLU  78  -5.081  -3.045 -12.356
  583   2HB   GLU  78           HB3      GLU  78  -6.554  -2.949 -11.406
  584   1HG   GLU  78           HG2      GLU  78  -5.770  -0.769 -10.483
  585   2HG   GLU  78           HG3      GLU  78  -4.460  -0.792 -11.690
  586    H    LEU  79           H        LEU  79  -6.899  -2.756  -8.987
  587    HA   LEU  79           HA       LEU  79  -7.350  -5.196  -7.586
  588   1HB   LEU  79           HB2      LEU  79  -8.309  -2.971  -7.009
  589   2HB   LEU  79           HB3      LEU  79  -9.233  -2.991  -8.520
  590    HG   LEU  79           HG       LEU  79 -10.417  -5.053  -7.732
  591   1HD1  LEU  79          HD11      LEU  79 -10.189  -5.343  -5.115
  592   2HD1  LEU  79          HD12      LEU  79  -8.992  -6.120  -6.159
  593   3HD1  LEU  79          HD13      LEU  79  -8.605  -4.594  -5.338
  594   1HD2  LEU  79          HD21      LEU  79 -11.865  -3.901  -6.287
  595   2HD2  LEU  79          HD22      LEU  79 -10.593  -2.766  -5.767
  596   3HD2  LEU  79          HD23      LEU  79 -11.240  -2.721  -7.433
  597    H    HIS  80           H        HIS  80  -8.313  -7.052  -8.262
  598    HA   HIS  80           HA       HIS  80  -8.667  -7.725 -10.942
  599   1HB   HIS  80           HB2      HIS  80  -8.458  -9.199  -8.868
  600   2HB   HIS  80           HB3      HIS  80 -10.215  -9.098  -8.741
  601    HD1  HIS  80           HD1      HIS  80 -11.485 -10.723 -10.489
  602    HD2  HIS  80           HD2      HIS  80  -7.315 -10.448 -10.944
  603    HE1  HIS  80           HE1      HIS  80 -10.844 -12.465 -12.192
  604    HA   PRO  81           HA       PRO  81 -12.518  -5.897 -12.149
  605   1HB   PRO  81           HB2      PRO  81 -13.210  -7.487 -14.282
  606   2HB   PRO  81           HB3      PRO  81 -11.954  -6.218 -14.320
  607   1HG   PRO  81           HG2      PRO  81 -11.555  -9.185 -13.836
  608   2HG   PRO  81           HG3      PRO  81 -10.676  -8.140 -14.996
  609   1HD   PRO  81           HD2      PRO  81  -9.627  -8.722 -12.632
  610   2HD   PRO  81           HD3      PRO  81  -9.513  -7.042 -13.221
  611    H    ASP  82           H        ASP  82 -12.231  -9.008 -10.757
  612    HA   ASP  82           HA       ASP  82 -15.081  -9.706 -10.830
  613   1HB   ASP  82           HB2      ASP  82 -13.280 -11.437 -10.824
  614   2HB   ASP  82           HB3      ASP  82 -12.824 -10.896  -9.169
  615    H    ASP  83           H        ASP  83 -12.827  -7.908  -8.763
  616    HA   ASP  83           HA       ASP  83 -14.437  -8.080  -6.337
  617   1HB   ASP  83           HB2      ASP  83 -12.019  -7.784  -6.226
  618   2HB   ASP  83           HB3      ASP  83 -12.153  -6.276  -7.180
  619    H    ARG  84           H        ARG  84 -13.599  -5.548  -8.625
  620    HA   ARG  84           HA       ARG  84 -15.031  -3.495  -7.407
  621   1HB   ARG  84           HB2      ARG  84 -14.487  -2.184  -9.396
  622   2HB   ARG  84           HB3      ARG  84 -13.102  -3.164  -8.881
  623   1HG   ARG  84           HG2      ARG  84 -13.720  -4.873 -10.634
  624   2HG   ARG  84           HG3      ARG  84 -15.041  -3.830 -11.137
  625   1HD   ARG  84           HD2      ARG  84 -13.359  -3.431 -12.687
  626   2HD   ARG  84           HD3      ARG  84 -13.413  -2.008 -11.621
  627    HE   ARG  84           HE       ARG  84 -11.436  -3.866 -10.659
  628   1HH1  ARG  84          HH11      ARG  84  -8.720  -2.149 -12.306
  629   2HH1  ARG  84          HH12      ARG  84  -9.134  -3.484 -11.253
  630   1HH2  ARG  84          HH21      ARG  84 -10.398  -1.270 -13.652
  631   2HH2  ARG  84          HH22      ARG  84 -12.077  -1.633 -13.334
  632    HHA  HEM 201           HGM      HEM 201   4.663  10.775   5.222
  633    HHB  HEM 201           HDM      HEM 201   5.895   7.614  -0.284
  634    HHC  HEM 201           HAM      HEM 201   0.833   3.805   0.816
  635    HHD  HEM 201           HBM      HEM 201  -0.019   6.534   6.601
  636   1HMA  HEM 201          HM81      HEM 201   8.182   9.441   0.942
  637   2HMA  HEM 201          HM82      HEM 201   6.957   9.586  -0.335
  638   3HMA  HEM 201          HM83      HEM 201   7.354  10.982   0.650
  639   1HAA  HEM 201          HAA1      HEM 201   6.576  11.601   4.322
  640   2HAA  HEM 201          HAA2      HEM 201   7.456  11.657   2.812
  641   1HBA  HEM 201          HBA1      HEM 201   4.577  12.583   3.193
  642   2HBA  HEM 201          HBA2      HEM 201   5.503  12.675   1.684
  643   1HMB  HEM 201          HM11      HEM 201   4.983   6.560  -2.438
  644   2HMB  HEM 201          HM12      HEM 201   5.965   5.316  -1.628
  645   3HMB  HEM 201          HM13      HEM 201   4.598   4.843  -2.641
  646    HAB  HEM 201          HT2A      HEM 201   2.289   2.893  -1.249
  647   1HBB  HEM 201          HV2C      HEM 201   1.027   5.398  -2.325
  648   2HBB  HEM 201          HV2T      HEM 201   0.704   3.595  -2.745
  649   1HMC  HEM 201          HM31      HEM 201  -1.467   2.477   3.533
  650   2HMC  HEM 201          HM32      HEM 201  -2.038   3.581   2.274
  651   3HMC  HEM 201          HM33      HEM 201  -0.622   2.545   1.981
  652    HAC  HEM 201          HT4A      HEM 201  -2.298   5.430   5.567
  653   1HBC  HEM 201          HV4C      HEM 201  -0.851   2.803   6.183
  654   2HBC  HEM 201          HV4T      HEM 201  -2.027   3.746   7.284
  655   1HMD  HEM 201          HM51      HEM 201   1.477   7.814   8.979
  656   2HMD  HEM 201          HM52      HEM 201   0.967   9.502   8.808
  657   3HMD  HEM 201          HM53      HEM 201  -0.047   8.220   8.154
  658   1HAD  HEM 201          HAD1      HEM 201   3.253  10.167   8.662
  659   2HAD  HEM 201          HAD2      HEM 201   4.221  10.922   7.421
  660   1HBD  HEM 201          HBD1      HEM 201   2.662  12.533   6.974
  661   2HBD  HEM 201          HBD2      HEM 201   1.309  11.537   7.519
  Start of MODEL    7
    1   1H    ALA   3           H1       ALA   3   4.093  -3.661 -16.442
    2   2H    ALA   3           H2       ALA   3   4.976  -4.446 -15.310
    3   3H    ALA   3           H3       ALA   3   5.516  -4.387 -16.886
    4    HA   ALA   3           HA       ALA   3   3.605  -5.701 -17.557
    5   1HB   ALA   3           HB1      ALA   3   4.370  -7.808 -16.705
    6   2HB   ALA   3           HB2      ALA   3   5.812  -6.781 -16.792
    7   3HB   ALA   3           HB3      ALA   3   5.025  -7.072 -15.229
    8    H    VAL   4           H        VAL   4   1.399  -5.988 -17.032
    9    HA   VAL   4           HA       VAL   4   0.607  -5.110 -14.290
   10    HB   VAL   4           HB       VAL   4  -0.805  -4.929 -16.969
   11   1HG1  VAL   4          HG11      VAL   4  -1.728  -4.204 -14.164
   12   2HG1  VAL   4          HG12      VAL   4  -2.436  -3.488 -15.623
   13   3HG1  VAL   4          HG13      VAL   4  -2.541  -5.234 -15.365
   14   1HG2  VAL   4          HG21      VAL   4   0.266  -2.749 -15.121
   15   2HG2  VAL   4          HG22      VAL   4   1.066  -3.274 -16.618
   16   3HG2  VAL   4          HG23      VAL   4  -0.523  -2.507 -16.695
   17    H    LYS   5           H        LYS   5  -0.666  -6.399 -13.102
   18    HA   LYS   5           HA       LYS   5  -2.187  -8.585 -14.283
   19   1HB   LYS   5           HB2      LYS   5   0.075  -9.564 -13.876
   20   2HB   LYS   5           HB3      LYS   5  -0.066  -9.155 -12.158
   21   1HG   LYS   5           HG2      LYS   5  -1.887 -10.726 -11.847
   22   2HG   LYS   5           HG3      LYS   5  -2.175 -10.823 -13.590
   23   1HD   LYS   5           HD2      LYS   5  -1.102 -12.849 -13.068
   24   2HD   LYS   5           HD3      LYS   5   0.104 -11.843 -13.881
   25   1HE   LYS   5           HE2      LYS   5   0.813 -11.146 -11.432
   26   2HE   LYS   5           HE3      LYS   5  -0.146 -12.541 -10.919
   27   1HZ   LYS   5           HZ1      LYS   5   2.142 -13.101 -11.177
   28   2HZ   LYS   5           HZ2      LYS   5   1.299 -13.891 -12.350
   29   3HZ   LYS   5           HZ3      LYS   5   2.185 -12.551 -12.722
   30    H    TYR   6           H        TYR   6  -4.153  -8.423 -13.278
   31    HA   TYR   6           HA       TYR   6  -4.368  -6.648 -11.006
   32   1HB   TYR   6           HB2      TYR   6  -6.587  -8.351 -12.123
   33   2HB   TYR   6           HB3      TYR   6  -6.679  -6.787 -11.297
   34    HD1  TYR   6           HD1      TYR   6  -4.823  -5.064 -12.715
   35    HD2  TYR   6           HD2      TYR   6  -7.443  -8.095 -14.298
   36    HE1  TYR   6           HE1      TYR   6  -4.925  -3.844 -14.858
   37    HE2  TYR   6           HE2      TYR   6  -7.528  -6.880 -16.455
   38    HH   TYR   6           HH       TYR   6  -5.797  -3.801 -16.990
   39    H    TYR   7           H        TYR   7  -5.373  -7.209  -8.935
   40    HA   TYR   7           HA       TYR   7  -5.128 -10.091  -8.187
   41   1HB   TYR   7           HB2      TYR   7  -4.041  -7.744  -6.603
   42   2HB   TYR   7           HB3      TYR   7  -4.049  -9.436  -6.114
   43    HD1  TYR   7           HD1      TYR   7  -2.181  -6.870  -7.789
   44    HD2  TYR   7           HD2      TYR   7  -2.750 -11.134  -7.541
   45    HE1  TYR   7           HE1      TYR   7  -0.024  -7.224  -8.950
   46    HE2  TYR   7           HE2      TYR   7  -0.544 -11.489  -8.617
   47    HH   TYR   7           HH       TYR   7   1.485  -8.751  -9.708
   48    H    THR   8           H        THR   8  -6.642 -10.808  -6.715
   49    HA   THR   8           HA       THR   8  -9.094  -9.263  -6.468
   50    HB   THR   8           HB       THR   8  -9.788 -11.326  -5.190
   51    HG1  THR   8           HG1      THR   8  -7.880 -13.034  -5.418
   52   1HG2  THR   8          HG21      THR   8  -8.446 -11.888  -7.878
   53   2HG2  THR   8          HG22      THR   8  -9.663 -12.907  -7.080
   54   3HG2  THR   8          HG23      THR   8 -10.093 -11.276  -7.607
   55    H    LEU   9           H        LEU   9 -10.047  -8.637  -4.393
   56    HA   LEU   9           HA       LEU   9  -8.347  -7.465  -2.564
   57   1HB   LEU   9           HB2      LEU   9 -11.134  -7.866  -2.844
   58   2HB   LEU   9           HB3      LEU   9 -10.778  -8.563  -1.329
   59    HG   LEU   9           HG       LEU   9 -10.071  -5.720  -2.165
   60   1HD1  LEU   9          HD11      LEU   9 -11.729  -5.040  -0.495
   61   2HD1  LEU   9          HD12      LEU   9 -12.476  -6.117  -1.687
   62   3HD1  LEU   9          HD13      LEU   9 -12.046  -6.738  -0.079
   63   1HD2  LEU   9          HD21      LEU   9  -9.624  -7.071   0.539
   64   2HD2  LEU   9          HD22      LEU   9  -8.341  -6.531  -0.561
   65   3HD2  LEU   9          HD23      LEU   9  -9.400  -5.345   0.196
   66    H    GLU  10           H        GLU  10  -9.574 -10.800  -2.697
   67    HA   GLU  10           HA       GLU  10  -8.630 -11.710  -0.217
   68   1HB   GLU  10           HB2      GLU  10 -10.183 -12.893  -1.845
   69   2HB   GLU  10           HB3      GLU  10  -8.748 -13.404  -2.726
   70   1HG   GLU  10           HG2      GLU  10  -9.360 -15.169  -1.189
   71   2HG   GLU  10           HG3      GLU  10  -7.863 -14.443  -0.609
   72    H    GLU  11           H        GLU  11  -7.056 -12.185  -3.443
   73    HA   GLU  11           HA       GLU  11  -4.670 -13.253  -2.486
   74   1HB   GLU  11           HB2      GLU  11  -5.528 -11.847  -4.978
   75   2HB   GLU  11           HB3      GLU  11  -3.825 -11.727  -4.639
   76   1HG   GLU  11           HG2      GLU  11  -4.384 -13.706  -6.052
   77   2HG   GLU  11           HG3      GLU  11  -3.552 -14.120  -4.548
   78    H    ILE  12           H        ILE  12  -5.506  -9.811  -2.929
   79    HA   ILE  12           HA       ILE  12  -2.990  -8.793  -2.052
   80    HB   ILE  12           HB       ILE  12  -5.759  -7.545  -1.936
   81   1HG1  ILE  12          HG12      ILE  12  -3.608  -7.109  -4.059
   82   2HG1  ILE  12          HG13      ILE  12  -4.817  -8.350  -4.250
   83   1HG2  ILE  12          HG21      ILE  12  -4.673  -5.402  -1.794
   84   2HG2  ILE  12          HG22      ILE  12  -3.925  -6.381  -0.541
   85   3HG2  ILE  12          HG23      ILE  12  -3.080  -6.114  -2.076
   86   1HD1  ILE  12          HD11      ILE  12  -5.394  -5.403  -3.953
   87   2HD1  ILE  12          HD12      ILE  12  -5.539  -6.368  -5.420
   88   3HD1  ILE  12          HD13      ILE  12  -6.631  -6.678  -4.068
   89    H    GLN  13           H        GLN  13  -6.042  -9.497  -0.257
   90    HA   GLN  13           HA       GLN  13  -5.365  -8.660   2.311
   91   1HB   GLN  13           HB2      GLN  13  -7.252 -10.662   1.148
   92   2HB   GLN  13           HB3      GLN  13  -6.913 -10.786   2.833
   93   1HG   GLN  13           HG2      GLN  13  -7.556  -8.018   1.868
   94   2HG   GLN  13           HG3      GLN  13  -8.836  -9.216   1.686
   95   1HE2  GLN  13          HE21      GLN  13 -10.055  -7.855   3.225
   96   2HE2  GLN  13          HE22      GLN  13  -9.771  -8.129   4.936
   97    H    LYS  14           H        LYS  14  -4.604 -11.795   0.696
   98    HA   LYS  14           HA       LYS  14  -3.545 -13.054   2.978
   99   1HB   LYS  14           HB2      LYS  14  -2.616 -13.370   0.095
  100   2HB   LYS  14           HB3      LYS  14  -2.231 -14.438   1.456
  101   1HG   LYS  14           HG2      LYS  14  -4.853 -14.547   1.762
  102   2HG   LYS  14           HG3      LYS  14  -4.901 -14.026   0.088
  103   1HD   LYS  14           HD2      LYS  14  -3.515 -16.549   1.129
  104   2HD   LYS  14           HD3      LYS  14  -5.112 -16.446   0.397
  105   1HE   LYS  14           HE2      LYS  14  -3.847 -17.159  -1.404
  106   2HE   LYS  14           HE3      LYS  14  -3.996 -15.428  -1.688
  107   1HZ   LYS  14           HZ1      LYS  14  -1.782 -15.184  -0.721
  108   2HZ   LYS  14           HZ2      LYS  14  -1.666 -16.821  -0.539
  109   3HZ   LYS  14           HZ3      LYS  14  -1.782 -16.163  -2.044
  110    H    HIS  15           H        HIS  15  -2.204 -10.368   1.236
  111    HA   HIS  15           HA       HIS  15   0.469 -10.664   2.538
  112   1HB   HIS  15           HB2      HIS  15  -0.555  -8.819   0.367
  113   2HB   HIS  15           HB3      HIS  15   1.033  -8.680   1.121
  114    HD1  HIS  15           HD1      HIS  15   2.768  -9.585  -0.535
  115    HD2  HIS  15           HD2      HIS  15  -0.848 -11.740  -0.525
  116    HE1  HIS  15           HE1      HIS  15   3.075 -11.552  -2.128
  117    H    ASN  16           H        ASN  16  -0.933 -10.434   4.535
  118    HA   ASN  16           HA       ASN  16  -1.071  -7.557   5.373
  119   1HB   ASN  16           HB2      ASN  16  -2.980  -7.995   6.731
  120   2HB   ASN  16           HB3      ASN  16  -3.372  -8.579   5.127
  121   1HD2  ASN  16          HD21      ASN  16  -3.000 -10.969   4.767
  122   2HD2  ASN  16          HD22      ASN  16  -3.294 -12.084   6.082
  123    H    ASN  17           H        ASN  17   1.317  -9.342   5.687
  124    HA   ASN  17           HA       ASN  17   1.659  -9.124   8.472
  125   1HB   ASN  17           HB2      ASN  17   0.053 -11.401   7.886
  126   2HB   ASN  17           HB3      ASN  17   1.672 -12.068   7.977
  127   1HD2  ASN  17          HD21      ASN  17   0.913 -13.283   9.871
  128   2HD2  ASN  17          HD22      ASN  17   0.769 -12.451  11.410
  129    H    SER  18           H        SER  18   3.704 -10.059   9.245
  130    HA   SER  18           HA       SER  18   5.956 -10.288   9.001
  131   1HB   SER  18           HB2      SER  18   5.263 -12.539   8.092
  132   2HB   SER  18           HB3      SER  18   5.320 -11.862   6.458
  133    HG   SER  18           HG       SER  18   7.439 -12.245   8.289
  134    H    LYS  19           H        LYS  19   7.215 -10.475   6.212
  135    HA   LYS  19           HA       LYS  19   7.602  -7.660   5.730
  136   1HB   LYS  19           HB2      LYS  19   8.780 -10.105   4.839
  137   2HB   LYS  19           HB3      LYS  19   8.129  -9.347   3.408
  138   1HG   LYS  19           HG2      LYS  19  10.122  -8.389   3.334
  139   2HG   LYS  19           HG3      LYS  19   9.413  -7.167   4.366
  140   1HD   LYS  19           HD2      LYS  19  10.899  -9.596   5.519
  141   2HD   LYS  19           HD3      LYS  19  11.769  -8.234   4.819
  142   1HE   LYS  19           HE2      LYS  19  10.488  -6.697   6.415
  143   2HE   LYS  19           HE3      LYS  19   9.975  -8.160   7.275
  144   1HZ   LYS  19           HZ1      LYS  19  12.256  -8.616   7.761
  145   2HZ   LYS  19           HZ2      LYS  19  12.795  -7.430   6.752
  146   3HZ   LYS  19           HZ3      LYS  19  12.004  -7.030   8.121
  147    H    SER  20           H        SER  20   5.406 -10.116   4.281
  148    HA   SER  20           HA       SER  20   4.530  -8.835   2.043
  149   1HB   SER  20           HB2      SER  20   2.822 -10.605   3.790
  150   2HB   SER  20           HB3      SER  20   2.796 -10.414   2.031
  151    HG   SER  20           HG       SER  20   3.994 -12.270   2.688
  152    H    THR  21           H        THR  21   3.732  -6.829   1.862
  153    HA   THR  21           HA       THR  21   1.456  -5.886   3.461
  154    HB   THR  21           HB       THR  21   4.156  -4.561   3.132
  155    HG1  THR  21           HG1      THR  21   4.173  -4.662   5.314
  156   1HG2  THR  21          HG21      THR  21   3.185  -2.541   3.085
  157   2HG2  THR  21          HG22      THR  21   1.565  -3.202   3.291
  158   3HG2  THR  21          HG23      THR  21   2.554  -2.845   4.713
  159    H    TRP  22           H        TRP  22   0.280  -6.337   1.518
  160    HA   TRP  22           HA       TRP  22   0.769  -4.397  -0.719
  161   1HB   TRP  22           HB2      TRP  22  -0.953  -6.898  -0.571
  162   2HB   TRP  22           HB3      TRP  22  -0.906  -5.741  -1.888
  163    HD1  TRP  22           HD1      TRP  22   2.586  -6.245  -0.824
  164    HE1  TRP  22           HE1      TRP  22   3.816  -7.482  -2.536
  165    HE3  TRP  22           HE3      TRP  22  -1.443  -7.968  -3.446
  166    HZ2  TRP  22           HZ2      TRP  22   3.156  -9.167  -4.911
  167    HZ3  TRP  22           HZ3      TRP  22  -1.134  -9.477  -5.347
  168    HH2  TRP  22           HH2      TRP  22   1.175  -9.999  -6.184
  169    H    LEU  23           H        LEU  23  -1.592  -3.645  -1.517
  170    HA   LEU  23           HA       LEU  23  -3.742  -3.483   0.252
  171   1HB   LEU  23           HB2      LEU  23  -3.410  -0.997   0.921
  172   2HB   LEU  23           HB3      LEU  23  -2.671  -2.256   1.870
  173    HG   LEU  23           HG       LEU  23  -0.493  -1.832   0.463
  174   1HD1  LEU  23          HD11      LEU  23  -2.001   0.724  -0.054
  175   2HD1  LEU  23          HD12      LEU  23  -0.294   0.440  -0.406
  176   3HD1  LEU  23          HD13      LEU  23  -1.527  -0.443  -1.316
  177   1HD2  LEU  23          HD21      LEU  23  -1.592   0.253   2.343
  178   2HD2  LEU  23          HD22      LEU  23  -0.748  -1.242   2.809
  179   3HD2  LEU  23          HD23      LEU  23   0.127   0.012   1.901
  180    H    ILE  24           H        ILE  24  -5.196  -1.595  -0.429
  181    HA   ILE  24           HA       ILE  24  -4.870  -1.158  -3.386
  182    HB   ILE  24           HB       ILE  24  -7.376  -1.630  -1.785
  183   1HG1  ILE  24          HG12      ILE  24  -6.373  -3.302  -4.127
  184   2HG1  ILE  24          HG13      ILE  24  -5.681  -3.551  -2.536
  185   1HG2  ILE  24          HG21      ILE  24  -7.047  -1.141  -4.782
  186   2HG2  ILE  24          HG22      ILE  24  -8.557  -1.585  -3.959
  187   3HG2  ILE  24          HG23      ILE  24  -7.807  -0.018  -3.635
  188   1HD1  ILE  24          HD11      ILE  24  -8.520  -4.089  -3.332
  189   2HD1  ILE  24          HD12      ILE  24  -7.373  -5.087  -2.420
  190   3HD1  ILE  24          HD13      ILE  24  -8.143  -3.703  -1.647
  191    H    LEU  25           H        LEU  25  -4.522   0.870  -3.869
  192    HA   LEU  25           HA       LEU  25  -5.803   3.127  -2.340
  193   1HB   LEU  25           HB2      LEU  25  -3.016   2.750  -3.462
  194   2HB   LEU  25           HB3      LEU  25  -3.743   4.350  -3.339
  195    HG   LEU  25           HG       LEU  25  -3.471   4.600  -1.208
  196   1HD1  LEU  25          HD11      LEU  25  -3.757   1.642  -0.813
  197   2HD1  LEU  25          HD12      LEU  25  -3.439   2.843   0.467
  198   3HD1  LEU  25          HD13      LEU  25  -4.919   2.945  -0.472
  199   1HD2  LEU  25          HD21      LEU  25  -1.273   4.303  -1.968
  200   2HD2  LEU  25          HD22      LEU  25  -1.330   3.469  -0.416
  201   3HD2  LEU  25          HD23      LEU  25  -1.337   2.524  -1.906
  202    H    HIS  26           H        HIS  26  -7.568   3.342  -3.614
  203    HA   HIS  26           HA       HIS  26  -8.772   4.039  -5.411
  204   1HB   HIS  26           HB2      HIS  26  -6.219   4.973  -6.764
  205   2HB   HIS  26           HB3      HIS  26  -7.871   5.507  -7.050
  206    HD1  HIS  26           HD1      HIS  26  -8.897   7.217  -5.192
  207    HD2  HIS  26           HD2      HIS  26  -4.938   5.922  -4.634
  208    HE1  HIS  26           HE1      HIS  26  -7.912   8.697  -3.401
  209    H    TYR  27           H        TYR  27  -8.486   1.456  -5.379
  210    HA   TYR  27           HA       TYR  27  -8.652  -0.452  -6.573
  211   1HB   TYR  27           HB2      TYR  27  -8.892   1.294  -9.039
  212   2HB   TYR  27           HB3      TYR  27  -9.530  -0.324  -8.813
  213    HD1  TYR  27           HD1      TYR  27 -10.694   0.254  -5.908
  214    HD2  TYR  27           HD2      TYR  27 -11.003   2.222  -9.742
  215    HE1  TYR  27           HE1      TYR  27 -12.886   1.167  -5.267
  216    HE2  TYR  27           HE2      TYR  27 -13.223   3.098  -9.101
  217    HH   TYR  27           HH       TYR  27 -14.885   3.117  -7.490
  218    H    LYS  28           H        LYS  28  -5.919   0.885  -6.314
  219    HA   LYS  28           HA       LYS  28  -4.464  -0.576  -8.476
  220   1HB   LYS  28           HB2      LYS  28  -3.994   2.117  -7.214
  221   2HB   LYS  28           HB3      LYS  28  -2.766   1.283  -8.126
  222   1HG   LYS  28           HG2      LYS  28  -5.359   1.447  -9.570
  223   2HG   LYS  28           HG3      LYS  28  -4.788   3.011  -9.008
  224   1HD   LYS  28           HD2      LYS  28  -2.483   2.374 -10.065
  225   2HD   LYS  28           HD3      LYS  28  -3.296   0.969 -10.756
  226   1HE   LYS  28           HE2      LYS  28  -3.175   2.789 -12.381
  227   2HE   LYS  28           HE3      LYS  28  -4.860   2.440 -11.988
  228   1HZ   LYS  28           HZ1      LYS  28  -3.765   4.880 -11.871
  229   2HZ   LYS  28           HZ2      LYS  28  -5.127   4.423 -11.072
  230   3HZ   LYS  28           HZ3      LYS  28  -3.682   4.412 -10.291
  231    H    VAL  29           H        VAL  29  -2.962  -1.997  -7.739
  232    HA   VAL  29           HA       VAL  29  -2.660  -2.241  -4.839
  233    HB   VAL  29           HB       VAL  29  -1.706  -4.224  -6.895
  234   1HG1  VAL  29          HG11      VAL  29  -2.899  -4.635  -4.120
  235   2HG1  VAL  29          HG12      VAL  29  -1.966  -5.795  -5.096
  236   3HG1  VAL  29          HG13      VAL  29  -1.168  -4.394  -4.359
  237   1HG2  VAL  29          HG21      VAL  29  -4.537  -3.961  -5.835
  238   2HG2  VAL  29          HG22      VAL  29  -4.010  -3.830  -7.528
  239   3HG2  VAL  29          HG23      VAL  29  -3.869  -5.371  -6.696
  240    H    TYR  30           H        TYR  30  -0.759  -2.064  -3.770
  241    HA   TYR  30           HA       TYR  30   1.739  -1.313  -5.254
  242   1HB   TYR  30           HB2      TYR  30   0.447  -0.067  -2.800
  243   2HB   TYR  30           HB3      TYR  30   2.043   0.342  -3.380
  244    HD1  TYR  30           HD1      TYR  30   2.306   1.605  -5.530
  245    HD2  TYR  30           HD2      TYR  30  -1.594   0.611  -4.011
  246    HE1  TYR  30           HE1      TYR  30   1.243   3.269  -7.073
  247    HE2  TYR  30           HE2      TYR  30  -2.604   2.275  -5.548
  248    HH   TYR  30           HH       TYR  30  -0.610   4.521  -7.452
  249    H    ASP  31           H        ASP  31   3.338  -2.752  -4.753
  250    HA   ASP  31           HA       ASP  31   3.205  -4.371  -2.273
  251   1HB   ASP  31           HB2      ASP  31   3.727  -5.579  -4.290
  252   2HB   ASP  31           HB3      ASP  31   5.007  -4.428  -4.728
  253    H    LEU  32           H        LEU  32   3.707  -2.728  -0.665
  254    HA   LEU  32           HA       LEU  32   6.332  -1.373  -1.014
  255   1HB   LEU  32           HB2      LEU  32   4.459  -0.820   1.214
  256   2HB   LEU  32           HB3      LEU  32   5.719   0.178   0.621
  257    HG   LEU  32           HG       LEU  32   3.643  -0.391  -1.459
  258   1HD1  LEU  32          HD11      LEU  32   2.359  -0.165   0.709
  259   2HD1  LEU  32          HD12      LEU  32   2.951   1.510   0.787
  260   3HD1  LEU  32          HD13      LEU  32   1.947   0.946  -0.577
  261   1HD2  LEU  32          HD21      LEU  32   5.747   1.093  -1.582
  262   2HD2  LEU  32          HD22      LEU  32   4.238   1.746  -2.199
  263   3HD2  LEU  32          HD23      LEU  32   4.834   2.248  -0.594
  264    H    THR  33           H        THR  33   5.675  -4.320  -0.180
  265    HA   THR  33           HA       THR  33   6.484  -4.865   2.408
  266    HB   THR  33           HB       THR  33   6.746  -6.253  -0.270
  267    HG1  THR  33           HG1      THR  33   5.484  -6.729   2.206
  268   1HG2  THR  33          HG21      THR  33   7.300  -8.342   1.130
  269   2HG2  THR  33          HG22      THR  33   8.639  -7.260   0.709
  270   3HG2  THR  33          HG23      THR  33   7.941  -7.208   2.340
  271    H    LYS  34           H        LYS  34   8.514  -3.899  -0.340
  272    HA   LYS  34           HA       LYS  34  10.904  -4.118   1.410
  273   1HB   LYS  34           HB2      LYS  34  10.536  -5.189  -1.020
  274   2HB   LYS  34           HB3      LYS  34  11.059  -3.587  -1.558
  275   1HG   LYS  34           HG2      LYS  34  13.131  -3.812  -0.351
  276   2HG   LYS  34           HG3      LYS  34  12.547  -5.240   0.528
  277   1HD   LYS  34           HD2      LYS  34  12.456  -6.615  -1.419
  278   2HD   LYS  34           HD3      LYS  34  12.858  -5.280  -2.504
  279   1HE   LYS  34           HE2      LYS  34  14.674  -6.229  -0.228
  280   2HE   LYS  34           HE3      LYS  34  14.781  -6.905  -1.857
  281   1HZ   LYS  34           HZ1      LYS  34  15.633  -4.994  -2.677
  282   2HZ   LYS  34           HZ2      LYS  34  14.907  -4.011  -1.578
  283   3HZ   LYS  34           HZ3      LYS  34  16.230  -4.885  -1.148
  284    H    PHE  35           H        PHE  35   8.824  -2.078   1.715
  285    HA   PHE  35           HA       PHE  35  10.616   0.263   1.643
  286   1HB   PHE  35           HB2      PHE  35   8.647  -0.109  -0.275
  287   2HB   PHE  35           HB3      PHE  35   7.779   0.722   0.936
  288    HD1  PHE  35           HD1      PHE  35   7.414   2.870  -0.073
  289    HD2  PHE  35           HD2      PHE  35  11.391   1.177  -0.146
  290    HE1  PHE  35           HE1      PHE  35   8.328   4.990  -0.981
  291    HE2  PHE  35           HE2      PHE  35  12.301   3.325  -0.880
  292    HZ   PHE  35           HZ       PHE  35  10.778   5.233  -1.360
  293    H    LEU  36           H        LEU  36   9.169  -1.749   3.654
  294    HA   LEU  36           HA       LEU  36   7.328  -0.112   5.105
  295   1HB   LEU  36           HB2      LEU  36   9.007  -2.516   5.968
  296   2HB   LEU  36           HB3      LEU  36   7.651  -1.850   6.888
  297    HG   LEU  36           HG       LEU  36   7.418  -2.960   4.054
  298   1HD1  LEU  36          HD11      LEU  36   6.358  -4.895   5.147
  299   2HD1  LEU  36          HD12      LEU  36   8.062  -4.714   5.590
  300   3HD1  LEU  36          HD13      LEU  36   6.789  -4.236   6.740
  301   1HD2  LEU  36          HD21      LEU  36   5.639  -1.339   4.531
  302   2HD2  LEU  36          HD22      LEU  36   5.010  -2.969   4.595
  303   3HD2  LEU  36          HD23      LEU  36   5.326  -2.106   6.110
  304    H    GLU  37           H        GLU  37  10.642  -1.099   6.003
  305    HA   GLU  37           HA       GLU  37  10.942   0.770   8.104
  306   1HB   GLU  37           HB2      GLU  37  13.327   0.132   7.956
  307   2HB   GLU  37           HB3      GLU  37  12.230  -1.249   7.949
  308   1HG   GLU  37           HG2      GLU  37  12.501  -1.275   5.357
  309   2HG   GLU  37           HG3      GLU  37  13.818  -0.127   5.618
  310    H    GLU  38           H        GLU  38  11.373   1.054   4.628
  311    HA   GLU  38           HA       GLU  38  12.840   3.513   4.606
  312   1HB   GLU  38           HB2      GLU  38  11.054   2.269   2.500
  313   2HB   GLU  38           HB3      GLU  38  12.212   3.535   2.231
  314   1HG   GLU  38           HG2      GLU  38  13.884   1.731   3.403
  315   2HG   GLU  38           HG3      GLU  38  12.721   0.611   2.686
  316    H    HIS  39           HN       HIS  39   9.346   2.725   4.500
  317    HA   HIS  39           HA       HIS  39   8.481   5.266   3.728
  318   1HB   HIS  39           HB2      HIS  39   7.112   3.294   3.524
  319   2HB   HIS  39           HB3      HIS  39   7.051   3.114   5.282
  320    HD1  HIS  39           HND      HIS  39   5.236   4.457   6.537
  321    HD2  HIS  39           HD       HIS  39   5.611   5.363   2.446
  322    HE1  HIS  39           HE       HIS  39   3.208   5.806   5.928
  323    HA   PRO  40           HA       PRO  40   9.543   7.504   7.382
  324   1HB   PRO  40           HB2      PRO  40   8.276   9.911   6.969
  325   2HB   PRO  40           HB3      PRO  40   9.706   9.366   6.046
  326   1HG   PRO  40           HG2      PRO  40   6.800   9.147   5.255
  327   2HG   PRO  40           HG3      PRO  40   8.166   9.746   4.263
  328   1HD   PRO  40           HD2      PRO  40   7.241   7.217   4.028
  329   2HD   PRO  40           HD3      PRO  40   8.996   7.554   3.923
  330    H    GLY  41           H        GLY  41   6.110   7.123   6.577
  331   1HA   GLY  41           HA1      GLY  41   4.896   7.961   8.967
  332   2HA   GLY  41           HA2      GLY  41   4.307   6.660   7.931
  333    H    GLY  42           H        GLY  42   7.051   5.203   8.513
  334   1HA   GLY  42           HA1      GLY  42   7.984   4.047  10.292
  335   2HA   GLY  42           HA2      GLY  42   6.625   4.432  11.351
  336    H    GLU  43           H        GLU  43   8.026   1.864  10.227
  337    HA   GLU  43           HA       GLU  43   6.085   0.359   8.810
  338   1HB   GLU  43           HB2      GLU  43   7.423  -1.560   9.712
  339   2HB   GLU  43           HB3      GLU  43   8.221  -0.405   8.642
  340   1HG   GLU  43           HG2      GLU  43   9.599   0.464  10.323
  341   2HG   GLU  43           HG3      GLU  43   8.470   0.029  11.621
  342    H    ALA  44           H        ALA  44   4.274   0.914   9.899
  343    HA   ALA  44           HA       ALA  44   3.319  -1.117  11.812
  344   1HB   ALA  44           HB1      ALA  44   3.549   1.821  12.609
  345   2HB   ALA  44           HB2      ALA  44   2.468   0.662  13.419
  346   3HB   ALA  44           HB3      ALA  44   4.223   0.407  13.442
  347    H    VAL  45           H        VAL  45   2.283   2.214  10.914
  348    HA   VAL  45           HA       VAL  45  -0.386   1.513  10.520
  349    HB   VAL  45           HB       VAL  45   0.510   3.799  10.824
  350   1HG1  VAL  45          HG11      VAL  45   1.097   3.825   7.837
  351   2HG1  VAL  45          HG12      VAL  45   1.352   5.112   9.025
  352   3HG1  VAL  45          HG13      VAL  45   2.353   3.660   9.092
  353   1HG2  VAL  45          HG21      VAL  45  -1.143   4.886   9.253
  354   2HG2  VAL  45          HG22      VAL  45  -1.398   3.287   8.529
  355   3HG2  VAL  45          HG23      VAL  45  -1.790   3.555  10.233
  356    H    LEU  46           H        LEU  46   2.252   1.682   7.969
  357    HA   LEU  46           HA       LEU  46   0.568   0.763   5.884
  358   1HB   LEU  46           HB2      LEU  46   3.549   0.447   6.470
  359   2HB   LEU  46           HB3      LEU  46   2.810  -0.282   5.042
  360    HG   LEU  46           HG       LEU  46   2.800   2.701   5.672
  361   1HD1  LEU  46          HD11      LEU  46   4.216   2.773   3.614
  362   2HD1  LEU  46          HD12      LEU  46   4.994   1.874   4.936
  363   3HD1  LEU  46          HD13      LEU  46   4.246   1.008   3.575
  364   1HD2  LEU  46          HD21      LEU  46   1.995   2.669   3.183
  365   2HD2  LEU  46          HD22      LEU  46   1.497   1.006   3.514
  366   3HD2  LEU  46          HD23      LEU  46   0.815   2.348   4.459
  367    H    ARG  47           H        ARG  47   2.175  -1.104   8.433
  368    HA   ARG  47           HA       ARG  47   1.675  -3.654   7.160
  369   1HB   ARG  47           HB2      ARG  47   3.468  -2.944   8.969
  370   2HB   ARG  47           HB3      ARG  47   2.159  -3.210  10.115
  371   1HG   ARG  47           HG2      ARG  47   3.021  -5.313  10.151
  372   2HG   ARG  47           HG3      ARG  47   1.925  -5.542   8.798
  373   1HD   ARG  47           HD2      ARG  47   3.623  -6.026   7.430
  374   2HD   ARG  47           HD3      ARG  47   4.433  -4.501   7.719
  375    HE   ARG  47           HE       ARG  47   5.149  -7.068   8.613
  376   1HH1  ARG  47          HH11      ARG  47   7.354  -6.130  11.207
  377   2HH1  ARG  47          HH12      ARG  47   6.639  -7.468  10.357
  378   1HH2  ARG  47          HH21      ARG  47   6.599  -3.914  10.761
  379   2HH2  ARG  47          HH22      ARG  47   5.284  -3.719   9.643
  380    H    ALA  48           H        ALA  48  -0.033  -1.527   9.405
  381    HA   ALA  48           HA       ALA  48  -1.920  -3.508  10.308
  382   1HB   ALA  48           HB1      ALA  48  -2.478  -0.539  10.407
  383   2HB   ALA  48           HB2      ALA  48  -2.804  -1.808  11.606
  384   3HB   ALA  48           HB3      ALA  48  -1.150  -1.212  11.371
  385    H    GLN  49           H        GLN  49  -2.103  -0.757   7.971
  386    HA   GLN  49           HA       GLN  49  -4.744  -1.518   7.020
  387   1HB   GLN  49           HB2      GLN  49  -2.629   0.552   6.415
  388   2HB   GLN  49           HB3      GLN  49  -3.827   0.190   5.187
  389   1HG   GLN  49           HG2      GLN  49  -4.567   2.027   6.562
  390   2HG   GLN  49           HG3      GLN  49  -5.665   0.653   6.698
  391   1HE2  GLN  49          HE21      GLN  49  -5.855  -0.444   8.737
  392   2HE2  GLN  49          HE22      GLN  49  -5.170   0.245  10.195
  393    H    ALA  50           H        ALA  50  -1.513  -2.606   6.257
  394    HA   ALA  50           HA       ALA  50  -1.722  -3.348   3.669
  395   1HB   ALA  50           HB1      ALA  50  -0.661  -5.019   5.992
  396   2HB   ALA  50           HB2      ALA  50  -0.400  -5.391   4.291
  397   3HB   ALA  50           HB3      ALA  50   0.268  -3.895   4.976
  398    H    GLY  51           H        GLY  51  -2.450  -5.163   2.525
  399   1HA   GLY  51           HA1      GLY  51  -3.963  -6.680   1.810
  400   2HA   GLY  51           HA2      GLY  51  -3.900  -7.373   3.436
  401    H    GLY  52           H        GLY  52  -5.032  -4.165   2.203
  402   1HA   GLY  52           HA1      GLY  52  -7.832  -4.790   2.489
  403   2HA   GLY  52           HA2      GLY  52  -7.200  -3.803   3.832
  404    H    ASP  53           H        ASP  53  -9.006  -2.424   2.556
  405    HA   ASP  53           HA       ASP  53  -7.908  -0.844   0.361
  406   1HB   ASP  53           HB2      ASP  53  -9.905   0.518   0.747
  407   2HB   ASP  53           HB3      ASP  53 -10.353  -1.190   0.598
  408    H    ALA  54           H        ALA  54  -6.636   0.925   0.707
  409    HA   ALA  54           HA       ALA  54  -6.723   2.205   3.416
  410   1HB   ALA  54           HB1      ALA  54  -4.173   1.469   1.926
  411   2HB   ALA  54           HB2      ALA  54  -4.283   2.454   3.411
  412   3HB   ALA  54           HB3      ALA  54  -4.781   0.738   3.397
  413    H    THR  55           H        THR  55  -7.885   2.644   0.672
  414    HA   THR  55           HA       THR  55  -6.478   4.763  -0.591
  415    HB   THR  55           HB       THR  55  -9.492   4.236  -0.675
  416    HG1  THR  55           HG1      THR  55  -8.331   2.336  -1.255
  417   1HG2  THR  55          HG21      THR  55  -7.503   5.447  -2.615
  418   2HG2  THR  55          HG22      THR  55  -9.219   5.157  -2.976
  419   3HG2  THR  55          HG23      THR  55  -8.756   6.359  -1.748
  420    H    ALA  56           H        ALA  56  -9.271   4.823   1.670
  421    HA   ALA  56           HA       ALA  56  -9.406   7.622   2.025
  422   1HB   ALA  56           HB1      ALA  56 -10.478   6.965   4.256
  423   2HB   ALA  56           HB2      ALA  56 -11.229   6.323   2.783
  424   3HB   ALA  56           HB3      ALA  56 -10.199   5.275   3.785
  425    H    ASN  57           H        ASN  57  -7.569   5.187   3.963
  426    HA   ASN  57           HA       ASN  57  -6.455   7.044   5.794
  427   1HB   ASN  57           HB2      ASN  57  -5.593   4.300   4.838
  428   2HB   ASN  57           HB3      ASN  57  -4.551   5.268   5.886
  429   1HD2  ASN  57          HD21      ASN  57  -4.668   4.030   7.798
  430   2HD2  ASN  57          HD22      ASN  57  -6.177   3.862   8.661
  431    H    PHE  58           H        PHE  58  -5.110   5.810   2.721
  432    HA   PHE  58           HA       PHE  58  -2.670   7.174   2.676
  433   1HB   PHE  58           HB2      PHE  58  -3.333   5.405   1.124
  434   2HB   PHE  58           HB3      PHE  58  -4.574   6.421   0.419
  435    HD1  PHE  58           HD1      PHE  58  -4.072   7.718  -1.517
  436    HD2  PHE  58           HD2      PHE  58  -0.889   6.235   0.971
  437    HE1  PHE  58           HE1      PHE  58  -2.424   8.488  -3.173
  438    HE2  PHE  58           HE2      PHE  58   0.781   7.023  -0.691
  439    HZ   PHE  58           HZ       PHE  58   0.018   8.147  -2.773
  440    H    GLU  59           H        GLU  59  -5.819   8.200   1.255
  441    HA   GLU  59           HA       GLU  59  -4.938  10.782   0.452
  442   1HB   GLU  59           HB2      GLU  59  -7.672   9.652   1.077
  443   2HB   GLU  59           HB3      GLU  59  -7.418  11.245   0.348
  444   1HG   GLU  59           HG2      GLU  59  -5.981   8.966  -0.990
  445   2HG   GLU  59           HG3      GLU  59  -7.737   8.956  -1.086
  446    H    ALA  60           H        ALA  60  -6.522   9.689   3.477
  447    HA   ALA  60           HA       ALA  60  -7.017  12.167   4.682
  448   1HB   ALA  60           HB1      ALA  60  -6.572  10.814   6.872
  449   2HB   ALA  60           HB2      ALA  60  -7.904  10.317   5.811
  450   3HB   ALA  60           HB3      ALA  60  -6.371   9.427   5.798
  451    H    VAL  61           H        VAL  61  -3.983  10.254   4.702
  452    HA   VAL  61           HA       VAL  61  -2.466  12.106   6.285
  453    HB   VAL  61           HB       VAL  61  -1.683  10.100   4.136
  454   1HG1  VAL  61          HG11      VAL  61   0.101  11.744   4.144
  455   2HG1  VAL  61          HG12      VAL  61   0.107  11.794   5.917
  456   3HG1  VAL  61          HG13      VAL  61   0.636  10.336   5.048
  457   1HG2  VAL  61          HG21      VAL  61  -1.435  10.085   7.171
  458   2HG2  VAL  61          HG22      VAL  61  -2.675   9.210   6.255
  459   3HG2  VAL  61          HG23      VAL  61  -0.980   8.772   6.061
  460    H    GLY  62           H        GLY  62  -3.053  11.905   2.763
  461   1HA   GLY  62           HA1      GLY  62  -3.333  14.086   1.646
  462   2HA   GLY  62           HA2      GLY  62  -1.826  14.630   2.393
  463    H    HIS  63           HN       HIS  63   0.093  13.175   1.996
  464    HA   HIS  63           HA       HIS  63   1.659  12.361   0.616
  465   1HB   HIS  63           HB2      HIS  63  -0.684  10.898  -0.638
  466   2HB   HIS  63           HB3      HIS  63   0.974  10.679  -1.138
  467    HD1  HIS  63           HND      HIS  63  -1.390   9.684   1.638
  468    HD2  HIS  63           HD       HIS  63   2.677   9.438   0.595
  469    HE1  HIS  63           HE       HIS  63  -0.367   7.926   3.142
  470    H    SER  64           H        SER  64   2.617  14.057  -0.393
  471    HA   SER  64           HA       SER  64   1.490  15.709  -2.338
  472   1HB   SER  64           HB2      SER  64   4.414  14.967  -1.875
  473   2HB   SER  64           HB3      SER  64   3.849  16.428  -2.703
  474    HG   SER  64           HG       SER  64   3.001  17.164  -0.788
  475    H    THR  65           H        THR  65   2.572  16.046  -4.577
  476    HA   THR  65           HA       THR  65   1.879  14.100  -6.447
  477    HB   THR  65           HB       THR  65   3.586  15.407  -7.855
  478    HG1  THR  65           HG1      THR  65   4.526  17.161  -6.827
  479   1HG2  THR  65          HG21      THR  65   2.121  17.221  -8.140
  480   2HG2  THR  65          HG22      THR  65   1.051  16.014  -7.413
  481   3HG2  THR  65          HG23      THR  65   1.719  17.320  -6.414
  482    H    ASP  66           H        ASP  66   5.081  14.814  -5.081
  483    HA   ASP  66           HA       ASP  66   6.612  12.893  -6.291
  484   1HB   ASP  66           HB2      ASP  66   7.056  14.674  -4.282
  485   2HB   ASP  66           HB3      ASP  66   7.013  13.210  -3.307
  486    H    ALA  67           H        ALA  67   4.579  12.414  -3.422
  487    HA   ALA  67           HA       ALA  67   5.193   9.600  -3.089
  488   1HB   ALA  67           HB1      ALA  67   4.384  10.605  -1.149
  489   2HB   ALA  67           HB2      ALA  67   3.026  11.380  -1.976
  490   3HB   ALA  67           HB3      ALA  67   3.030   9.621  -1.735
  491    H    ARG  68           H        ARG  68   2.577  11.375  -4.781
  492    HA   ARG  68           HA       ARG  68   1.054   9.082  -5.569
  493   1HB   ARG  68           HB2      ARG  68   1.339  11.799  -6.898
  494   2HB   ARG  68           HB3      ARG  68   0.141  10.577  -7.334
  495   1HG   ARG  68           HG2      ARG  68  -0.931  10.719  -5.153
  496   2HG   ARG  68           HG3      ARG  68   0.371  11.719  -4.526
  497   1HD   ARG  68           HD2      ARG  68  -1.234  13.267  -4.850
  498   2HD   ARG  68           HD3      ARG  68  -0.320  13.488  -6.322
  499    HE   ARG  68           HE       ARG  68  -3.045  12.469  -5.912
  500   1HH1  ARG  68          HH11      ARG  68  -3.810  12.487  -9.343
  501   2HH1  ARG  68          HH12      ARG  68  -4.448  12.461  -7.731
  502   1HH2  ARG  68          HH21      ARG  68  -1.448  12.595  -9.664
  503   2HH2  ARG  68          HH22      ARG  68  -0.426  12.598  -8.258
  504    H    GLU  69           H        GLU  69   3.949  10.595  -6.962
  505    HA   GLU  69           HA       GLU  69   3.917   8.920  -9.380
  506   1HB   GLU  69           HB2      GLU  69   5.437  11.213  -8.277
  507   2HB   GLU  69           HB3      GLU  69   6.314  10.188  -9.405
  508   1HG   GLU  69           HG2      GLU  69   3.511  11.145 -10.105
  509   2HG   GLU  69           HG3      GLU  69   4.908  12.208 -10.303
  510    H    LEU  70           H        LEU  70   5.649   9.099  -6.287
  511    HA   LEU  70           HA       LEU  70   7.534   7.076  -6.804
  512   1HB   LEU  70           HB2      LEU  70   7.653   8.684  -4.977
  513   2HB   LEU  70           HB3      LEU  70   6.225   7.946  -4.241
  514    HG   LEU  70           HG       LEU  70   7.298   6.267  -3.298
  515   1HD1  LEU  70          HD11      LEU  70   9.160   6.236  -5.619
  516   2HD1  LEU  70          HD12      LEU  70   9.433   5.280  -4.131
  517   3HD1  LEU  70          HD13      LEU  70   7.916   5.097  -5.025
  518   1HD2  LEU  70          HD21      LEU  70   8.360   8.270  -2.379
  519   2HD2  LEU  70          HD22      LEU  70   9.552   6.961  -2.478
  520   3HD2  LEU  70          HD23      LEU  70   9.570   8.261  -3.684
  521    H    SER  71           H        SER  71   4.401   6.892  -5.158
  522    HA   SER  71           HA       SER  71   4.147   4.138  -4.917
  523   1HB   SER  71           HB2      SER  71   1.827   4.420  -4.776
  524   2HB   SER  71           HB3      SER  71   2.545   5.886  -4.082
  525    HG   SER  71           HG       SER  71   0.845   6.435  -5.449
  526    H    LYS  72           H        LYS  72   3.273   6.057  -7.865
  527    HA   LYS  72           HA       LYS  72   2.516   3.955  -9.550
  528   1HB   LYS  72           HB2      LYS  72   3.922   6.557 -10.069
  529   2HB   LYS  72           HB3      LYS  72   3.722   5.417 -11.368
  530   1HG   LYS  72           HG2      LYS  72   1.284   6.067  -9.707
  531   2HG   LYS  72           HG3      LYS  72   1.974   7.365 -10.689
  532   1HD   LYS  72           HD2      LYS  72   2.000   5.759 -12.671
  533   2HD   LYS  72           HD3      LYS  72   1.020   4.647 -11.689
  534   1HE   LYS  72           HE2      LYS  72  -0.701   6.486 -11.474
  535   2HE   LYS  72           HE3      LYS  72   0.334   7.542 -12.452
  536   1HZ   LYS  72           HZ1      LYS  72   0.096   6.082 -14.291
  537   2HZ   LYS  72           HZ2      LYS  72  -0.785   5.000 -13.426
  538   3HZ   LYS  72           HZ3      LYS  72  -1.398   6.497 -13.758
  539    H    THR  73           H        THR  73   5.836   4.860  -8.615
  540    HA   THR  73           HA       THR  73   7.139   2.963 -10.383
  541    HB   THR  73           HB       THR  73   7.952   4.957  -8.312
  542    HG1  THR  73           HG1      THR  73   9.051   4.176 -10.777
  543   1HG2  THR  73          HG21      THR  73   9.843   2.689  -8.998
  544   2HG2  THR  73          HG22      THR  73  10.244   4.218  -8.189
  545   3HG2  THR  73          HG23      THR  73   9.179   3.061  -7.388
  546    H    PHE  74           H        PHE  74   5.365   2.527  -7.505
  547    HA   PHE  74           HA       PHE  74   6.717  -0.058  -6.825
  548   1HB   PHE  74           HB2      PHE  74   5.167   2.004  -5.248
  549   2HB   PHE  74           HB3      PHE  74   5.014   0.318  -4.804
  550    HD1  PHE  74           HD1      PHE  74   7.614   2.935  -5.417
  551    HD2  PHE  74           HD2      PHE  74   6.679  -0.863  -3.677
  552    HE1  PHE  74           HE1      PHE  74   9.745   3.000  -4.130
  553    HE2  PHE  74           HE2      PHE  74   8.846  -0.875  -2.485
  554    HZ   PHE  74           HZ       PHE  74  10.322   1.107  -2.601
  555    H    ILE  75           H        ILE  75   4.082   1.323  -8.478
  556    HA   ILE  75           HA       ILE  75   2.010  -0.331  -7.646
  557    HB   ILE  75           HB       ILE  75   2.294   1.768  -9.328
  558   1HG1  ILE  75          HG12      ILE  75   0.294   0.924  -8.023
  559   2HG1  ILE  75          HG13      ILE  75   0.029   1.908  -9.460
  560   1HG2  ILE  75          HG21      ILE  75   3.085   0.500 -11.265
  561   2HG2  ILE  75          HG22      ILE  75   1.620  -0.496 -11.251
  562   3HG2  ILE  75          HG23      ILE  75   1.507   1.240 -11.579
  563   1HD1  ILE  75          HD11      ILE  75   0.019  -1.092  -9.451
  564   2HD1  ILE  75          HD12      ILE  75  -1.434  -0.118  -9.153
  565   3HD1  ILE  75          HD13      ILE  75  -0.616  -0.018 -10.729
  566    H    ILE  76           H        ILE  76   1.416  -2.405  -8.000
  567    HA   ILE  76           HA       ILE  76   3.217  -4.065  -9.762
  568    HB   ILE  76           HB       ILE  76   2.261  -5.967  -8.396
  569   1HG1  ILE  76          HG12      ILE  76   1.594  -3.786  -6.372
  570   2HG1  ILE  76          HG13      ILE  76   0.380  -4.500  -7.439
  571   1HG2  ILE  76          HG21      ILE  76   4.562  -5.000  -8.195
  572   2HG2  ILE  76          HG22      ILE  76   3.966  -3.912  -6.928
  573   3HG2  ILE  76          HG23      ILE  76   3.968  -5.673  -6.684
  574   1HD1  ILE  76          HD11      ILE  76   2.101  -6.216  -5.643
  575   2HD1  ILE  76          HD12      ILE  76   0.592  -5.483  -5.110
  576   3HD1  ILE  76          HD13      ILE  76   0.588  -6.631  -6.465
  577    H    GLY  77           H        GLY  77  -0.137  -3.065  -9.266
  578   1HA   GLY  77           HA1      GLY  77  -0.949  -3.576 -11.842
  579   2HA   GLY  77           HA2      GLY  77  -1.280  -5.073 -10.937
  580    H    GLU  78           H        GLU  78  -3.540  -4.634 -11.187
  581    HA   GLU  78           HA       GLU  78  -4.596  -2.338  -9.650
  582   1HB   GLU  78           HB2      GLU  78  -4.637  -2.633 -12.448
  583   2HB   GLU  78           HB3      GLU  78  -6.272  -3.056 -11.962
  584   1HG   GLU  78           HG2      GLU  78  -6.725  -0.880 -11.295
  585   2HG   GLU  78           HG3      GLU  78  -5.070  -0.574 -10.755
  586    H    LEU  79           H        LEU  79  -6.934  -2.535  -9.345
  587    HA   LEU  79           HA       LEU  79  -7.391  -4.842  -7.666
  588   1HB   LEU  79           HB2      LEU  79  -8.327  -2.612  -7.218
  589   2HB   LEU  79           HB3      LEU  79  -9.208  -2.671  -8.751
  590    HG   LEU  79           HG       LEU  79 -10.370  -4.799  -7.792
  591   1HD1  LEU  79          HD11      LEU  79  -8.577  -4.196  -5.597
  592   2HD1  LEU  79          HD12      LEU  79 -10.250  -3.977  -5.052
  593   3HD1  LEU  79          HD13      LEU  79  -9.728  -5.522  -5.741
  594   1HD2  LEU  79          HD21      LEU  79 -11.404  -2.664  -8.211
  595   2HD2  LEU  79          HD22      LEU  79 -12.039  -3.419  -6.754
  596   3HD2  LEU  79          HD23      LEU  79 -10.882  -2.073  -6.611
  597    H    HIS  80           H        HIS  80  -8.316  -6.763  -8.210
  598    HA   HIS  80           HA       HIS  80  -8.639  -7.601 -10.847
  599   1HB   HIS  80           HB2      HIS  80  -8.445  -8.908  -8.669
  600   2HB   HIS  80           HB3      HIS  80 -10.206  -8.851  -8.578
  601    HD1  HIS  80           HD1      HIS  80 -11.325 -10.754 -10.087
  602    HD2  HIS  80           HD2      HIS  80  -7.205 -10.189 -10.677
  603    HE1  HIS  80           HE1      HIS  80 -10.578 -12.607 -11.618
  604    HA   PRO  81           HA       PRO  81 -12.616  -6.071 -12.054
  605   1HB   PRO  81           HB2      PRO  81 -13.206  -7.722 -14.164
  606   2HB   PRO  81           HB3      PRO  81 -12.031  -6.377 -14.215
  607   1HG   PRO  81           HG2      PRO  81 -11.457  -9.316 -13.791
  608   2HG   PRO  81           HG3      PRO  81 -10.594  -8.164 -14.858
  609   1HD   PRO  81           HD2      PRO  81  -9.687  -8.865 -12.427
  610   2HD   PRO  81           HD3      PRO  81  -9.460  -7.205 -13.045
  611    H    ASP  82           H        ASP  82 -12.131  -9.070 -10.550
  612    HA   ASP  82           HA       ASP  82 -14.973  -9.829 -10.490
  613   1HB   ASP  82           HB2      ASP  82 -13.061 -11.501 -10.605
  614   2HB   ASP  82           HB3      ASP  82 -12.712 -11.061  -8.892
  615    H    ASP  83           H        ASP  83 -12.757  -7.829  -8.674
  616    HA   ASP  83           HA       ASP  83 -14.115  -8.072  -6.082
  617   1HB   ASP  83           HB2      ASP  83 -11.759  -7.648  -6.088
  618   2HB   ASP  83           HB3      ASP  83 -11.950  -6.274  -7.192
  619    H    ARG  84           H        ARG  84 -13.739  -5.642  -8.607
  620    HA   ARG  84           HA       ARG  84 -15.364  -3.638  -7.490
  621   1HB   ARG  84           HB2      ARG  84 -15.212  -2.570  -9.683
  622   2HB   ARG  84           HB3      ARG  84 -13.652  -3.245  -9.185
  623   1HG   ARG  84           HG2      ARG  84 -14.242  -5.310 -10.622
  624   2HG   ARG  84           HG3      ARG  84 -15.644  -4.417 -11.191
  625   1HD   ARG  84           HD2      ARG  84 -13.879  -4.189 -12.810
  626   2HD   ARG  84           HD3      ARG  84 -14.190  -2.620 -12.031
  627    HE   ARG  84           HE       ARG  84 -12.081  -4.101 -10.687
  628   1HH1  ARG  84          HH11      ARG  84  -9.484  -2.138 -12.098
  629   2HH1  ARG  84          HH12      ARG  84  -9.830  -3.454 -11.030
  630   1HH2  ARG  84          HH21      ARG  84 -11.111  -1.537 -13.710
  631   2HH2  ARG  84          HH22      ARG  84 -12.724  -2.172 -13.556
  632    HHA  HEM 201           HGM      HEM 201   4.585  10.662   5.047
  633    HHB  HEM 201           HDM      HEM 201   5.774   7.574  -0.500
  634    HHC  HEM 201           HAM      HEM 201   0.770   3.705   0.605
  635    HHD  HEM 201           HBM      HEM 201  -0.087   6.399   6.405
  636   1HMA  HEM 201          HM81      HEM 201   7.815   8.980   0.403
  637   2HMA  HEM 201          HM82      HEM 201   6.618   9.859  -0.568
  638   3HMA  HEM 201          HM83      HEM 201   7.593  10.717   0.617
  639   1HAA  HEM 201          HAA1      HEM 201   6.591  11.547   4.004
  640   2HAA  HEM 201          HAA2      HEM 201   7.053  11.809   2.337
  641   1HBA  HEM 201          HBA1      HEM 201   4.431  12.548   3.673
  642   2HBA  HEM 201          HBA2      HEM 201   4.592  12.474   1.913
  643   1HMB  HEM 201          HM11      HEM 201   4.676   4.593  -2.733
  644   2HMB  HEM 201          HM12      HEM 201   4.883   6.355  -2.726
  645   3HMB  HEM 201          HM13      HEM 201   5.956   5.307  -1.764
  646    HAB  HEM 201          HT2A      HEM 201   2.411   2.752  -1.553
  647   1HBB  HEM 201          HV2C      HEM 201   0.923   5.203  -2.462
  648   2HBB  HEM 201          HV2T      HEM 201   0.665   3.396  -2.892
  649   1HMC  HEM 201          HM31      HEM 201  -1.745   2.530   3.215
  650   2HMC  HEM 201          HM32      HEM 201  -2.069   3.635   1.878
  651   3HMC  HEM 201          HM33      HEM 201  -0.718   2.476   1.780
  652    HAC  HEM 201          HT4A      HEM 201  -2.307   5.391   5.505
  653   1HBC  HEM 201          HV4C      HEM 201  -1.308   2.489   5.531
  654   2HBC  HEM 201          HV4T      HEM 201  -2.610   3.261   6.614
  655   1HMD  HEM 201          HM51      HEM 201   1.755   8.426   9.016
  656   2HMD  HEM 201          HM52      HEM 201   0.221   8.939   8.300
  657   3HMD  HEM 201          HM53      HEM 201   0.664   7.224   8.336
  658   1HAD  HEM 201          HAD1      HEM 201   3.646   9.735   8.451
  659   2HAD  HEM 201          HAD2      HEM 201   4.146  10.824   7.185
  660   1HBD  HEM 201          HBD1      HEM 201   1.279  11.074   7.755
  661   2HBD  HEM 201          HBD2      HEM 201   2.276  11.325   9.192
  Start of MODEL    8
    1   1H    ALA   3           H1       ALA   3   3.602  -8.333 -17.364
    2   2H    ALA   3           H2       ALA   3   3.930  -8.875 -18.913
    3   3H    ALA   3           H3       ALA   3   4.087  -7.269 -18.508
    4    HA   ALA   3           HA       ALA   3   1.638  -8.847 -18.724
    5   1HB   ALA   3           HB1      ALA   3   2.332  -6.082 -19.826
    6   2HB   ALA   3           HB2      ALA   3   2.415  -7.600 -20.750
    7   3HB   ALA   3           HB3      ALA   3   0.857  -7.022 -20.151
    8    H    VAL   4           H        VAL   4  -0.035  -6.405 -18.364
    9    HA   VAL   4           HA       VAL   4   0.391  -5.629 -15.576
   10    HB   VAL   4           HB       VAL   4  -2.049  -5.496 -17.408
   11   1HG1  VAL   4          HG11      VAL   4  -2.804  -5.542 -15.068
   12   2HG1  VAL   4          HG12      VAL   4  -1.605  -4.305 -14.631
   13   3HG1  VAL   4          HG13      VAL   4  -2.955  -3.908 -15.713
   14   1HG2  VAL   4          HG21      VAL   4  -1.527  -3.067 -17.458
   15   2HG2  VAL   4          HG22      VAL   4  -0.079  -3.359 -16.474
   16   3HG2  VAL   4          HG23      VAL   4  -0.188  -4.012 -18.122
   17    H    LYS   5           H        LYS   5  -0.662  -6.634 -13.792
   18    HA   LYS   5           HA       LYS   5  -2.147  -9.136 -14.300
   19   1HB   LYS   5           HB2      LYS   5   0.325  -9.632 -13.815
   20   2HB   LYS   5           HB3      LYS   5   0.100  -8.827 -12.266
   21   1HG   LYS   5           HG2      LYS   5  -0.103 -11.115 -11.785
   22   2HG   LYS   5           HG3      LYS   5  -1.773 -10.544 -11.795
   23   1HD   LYS   5           HD2      LYS   5  -1.905 -11.339 -14.239
   24   2HD   LYS   5           HD3      LYS   5  -0.275 -12.003 -14.031
   25   1HE   LYS   5           HE2      LYS   5  -1.128 -13.438 -12.158
   26   2HE   LYS   5           HE3      LYS   5  -2.750 -12.763 -12.393
   27   1HZ   LYS   5           HZ1      LYS   5  -1.246 -14.350 -14.371
   28   2HZ   LYS   5           HZ2      LYS   5  -2.525 -14.866 -13.478
   29   3HZ   LYS   5           HZ3      LYS   5  -2.740 -13.700 -14.614
   30    H    TYR   6           H        TYR   6  -3.925  -9.248 -12.954
   31    HA   TYR   6           HA       TYR   6  -4.308  -7.023 -11.034
   32   1HB   TYR   6           HB2      TYR   6  -6.361  -8.809 -12.365
   33   2HB   TYR   6           HB3      TYR   6  -6.603  -7.410 -11.315
   34    HD1  TYR   6           HD1      TYR   6  -5.302  -8.397 -14.690
   35    HD2  TYR   6           HD2      TYR   6  -6.797  -5.231 -12.180
   36    HE1  TYR   6           HE1      TYR   6  -5.265  -6.842 -16.621
   37    HE2  TYR   6           HE2      TYR   6  -6.808  -3.694 -14.118
   38    HH   TYR   6           HH       TYR   6  -6.276  -3.427 -16.343
   39    H    TYR   7           H        TYR   7  -5.391  -7.544  -9.015
   40    HA   TYR   7           HA       TYR   7  -4.941 -10.347  -8.082
   41   1HB   TYR   7           HB2      TYR   7  -4.207  -7.874  -6.512
   42   2HB   TYR   7           HB3      TYR   7  -3.823  -9.548  -6.152
   43    HD1  TYR   7           HD1      TYR   7  -2.896  -6.519  -7.958
   44    HD2  TYR   7           HD2      TYR   7  -2.123 -10.750  -7.720
   45    HE1  TYR   7           HE1      TYR   7  -0.856  -6.212  -9.267
   46    HE2  TYR   7           HE2      TYR   7  -0.023 -10.426  -9.013
   47    HH   TYR   7           HH       TYR   7   0.945  -7.229 -10.297
   48    H    THR   8           H        THR   8  -6.412 -11.075  -6.553
   49    HA   THR   8           HA       THR   8  -8.980  -9.701  -6.471
   50    HB   THR   8           HB       THR   8  -9.618 -11.799  -5.262
   51    HG1  THR   8           HG1      THR   8  -7.665 -13.358  -5.179
   52   1HG2  THR   8          HG21      THR   8  -9.161 -13.425  -7.031
   53   2HG2  THR   8          HG22      THR   8  -9.556 -11.858  -7.757
   54   3HG2  THR   8          HG23      THR   8  -7.869 -12.416  -7.701
   55    H    LEU   9           H        LEU   9 -10.037  -9.071  -4.455
   56    HA   LEU   9           HA       LEU   9  -8.539  -7.840  -2.471
   57   1HB   LEU   9           HB2      LEU   9 -11.259  -8.346  -2.998
   58   2HB   LEU   9           HB3      LEU   9 -11.038  -9.151  -1.503
   59    HG   LEU   9           HG       LEU   9 -10.380  -6.222  -2.091
   60   1HD1  LEU   9          HD11      LEU   9 -12.802  -6.738  -1.946
   61   2HD1  LEU   9          HD12      LEU   9 -12.551  -7.467  -0.346
   62   3HD1  LEU   9          HD13      LEU   9 -12.266  -5.730  -0.593
   63   1HD2  LEU   9          HD21      LEU   9  -8.816  -7.029  -0.367
   64   2HD2  LEU   9          HD22      LEU   9 -10.038  -5.994   0.374
   65   3HD2  LEU   9          HD23      LEU   9 -10.164  -7.758   0.538
   66    H    GLU  10           H        GLU  10  -9.738 -11.144  -2.658
   67    HA   GLU  10           HA       GLU  10  -8.954 -12.297  -0.252
   68   1HB   GLU  10           HB2      GLU  10 -10.318 -13.392  -1.944
   69   2HB   GLU  10           HB3      GLU  10  -9.033 -13.311  -3.116
   70   1HG   GLU  10           HG2      GLU  10  -9.250 -15.563  -2.400
   71   2HG   GLU  10           HG3      GLU  10  -7.702 -14.909  -1.885
   72    H    GLU  11           H        GLU  11  -7.043 -12.564  -3.278
   73    HA   GLU  11           HA       GLU  11  -4.703 -13.489  -2.048
   74   1HB   GLU  11           HB2      GLU  11  -5.319 -12.065  -4.628
   75   2HB   GLU  11           HB3      GLU  11  -3.661 -12.250  -4.134
   76   1HG   GLU  11           HG2      GLU  11  -4.527 -14.106  -5.636
   77   2HG   GLU  11           HG3      GLU  11  -3.713 -14.605  -4.150
   78    H    ILE  12           H        ILE  12  -5.562 -10.047  -2.801
   79    HA   ILE  12           HA       ILE  12  -3.116  -9.002  -1.827
   80    HB   ILE  12           HB       ILE  12  -5.826  -7.649  -1.779
   81   1HG1  ILE  12          HG12      ILE  12  -3.737  -7.293  -3.973
   82   2HG1  ILE  12          HG13      ILE  12  -4.889  -8.589  -4.100
   83   1HG2  ILE  12          HG21      ILE  12  -3.878  -6.507  -0.498
   84   2HG2  ILE  12          HG22      ILE  12  -3.069  -6.373  -2.050
   85   3HG2  ILE  12          HG23      ILE  12  -4.609  -5.550  -1.785
   86   1HD1  ILE  12          HD11      ILE  12  -5.541  -5.634  -3.880
   87   2HD1  ILE  12          HD12      ILE  12  -5.747  -6.671  -5.293
   88   3HD1  ILE  12          HD13      ILE  12  -6.757  -6.936  -3.872
   89    H    GLN  13           H        GLN  13  -6.167  -9.780  -0.016
   90    HA   GLN  13           HA       GLN  13  -5.401  -8.678   2.461
   91   1HB   GLN  13           HB2      GLN  13  -7.315 -10.819   1.548
   92   2HB   GLN  13           HB3      GLN  13  -7.020 -10.572   3.253
   93   1HG   GLN  13           HG2      GLN  13  -7.731  -8.248   1.428
   94   2HG   GLN  13           HG3      GLN  13  -8.978  -9.279   2.141
   95   1HE2  GLN  13          HE21      GLN  13  -8.694  -9.629   4.635
   96   2HE2  GLN  13          HE22      GLN  13  -8.326  -8.162   5.530
   97    H    LYS  14           H        LYS  14  -4.209 -11.632   0.915
   98    HA   LYS  14           HA       LYS  14  -3.329 -12.799   3.436
   99   1HB   LYS  14           HB2      LYS  14  -2.455 -13.397   0.582
  100   2HB   LYS  14           HB3      LYS  14  -2.118 -14.378   2.017
  101   1HG   LYS  14           HG2      LYS  14  -4.523 -14.716   2.403
  102   2HG   LYS  14           HG3      LYS  14  -4.904 -13.624   1.078
  103   1HD   LYS  14           HD2      LYS  14  -3.893 -15.169  -0.559
  104   2HD   LYS  14           HD3      LYS  14  -3.641 -16.356   0.750
  105   1HE   LYS  14           HE2      LYS  14  -6.052 -16.381   1.259
  106   2HE   LYS  14           HE3      LYS  14  -6.336 -15.003   0.198
  107   1HZ   LYS  14           HZ1      LYS  14  -5.895 -16.335  -1.697
  108   2HZ   LYS  14           HZ2      LYS  14  -5.636 -17.679  -0.761
  109   3HZ   LYS  14           HZ3      LYS  14  -7.103 -16.901  -0.735
  110    H    HIS  15           H        HIS  15  -2.142 -10.330   1.287
  111    HA   HIS  15           HA       HIS  15   0.641 -10.461   2.339
  112   1HB   HIS  15           HB2      HIS  15  -0.681  -8.874   0.116
  113   2HB   HIS  15           HB3      HIS  15   1.003  -8.698   0.628
  114    HD1  HIS  15           HD1      HIS  15   2.489  -9.837  -1.094
  115    HD2  HIS  15           HD2      HIS  15  -1.146 -11.835  -0.460
  116    HE1  HIS  15           HE1      HIS  15   2.491 -11.877  -2.638
  117    H    ASN  16           H        ASN  16  -0.628 -10.007   4.417
  118    HA   ASN  16           HA       ASN  16  -1.000  -7.061   4.816
  119   1HB   ASN  16           HB2      ASN  16  -2.702  -7.493   6.426
  120   2HB   ASN  16           HB3      ASN  16  -3.117  -8.349   4.947
  121   1HD2  ASN  16          HD21      ASN  16  -2.813 -10.677   4.909
  122   2HD2  ASN  16          HD22      ASN  16  -2.617 -11.634   6.358
  123    H    ASN  17           H        ASN  17   1.600  -8.733   5.290
  124    HA   ASN  17           HA       ASN  17   1.882  -8.227   8.192
  125   1HB   ASN  17           HB2      ASN  17   0.552 -10.434   7.755
  126   2HB   ASN  17           HB3      ASN  17   2.103 -11.082   7.213
  127   1HD2  ASN  17          HD21      ASN  17   0.697 -12.225   9.345
  128   2HD2  ASN  17          HD22      ASN  17   1.557 -11.894  10.837
  129    H    SER  18           H        SER  18   4.044  -9.055   8.986
  130    HA   SER  18           HA       SER  18   6.188  -8.054   7.406
  131   1HB   SER  18           HB2      SER  18   6.182  -9.811   9.889
  132   2HB   SER  18           HB3      SER  18   7.576  -8.914   9.262
  133    HG   SER  18           HG       SER  18   6.264  -7.857  10.951
  134    H    LYS  19           H        LYS  19   5.596  -9.340   5.542
  135    HA   LYS  19           HA       LYS  19   7.520 -11.213   4.811
  136   1HB   LYS  19           HB2      LYS  19   5.865 -12.755   6.172
  137   2HB   LYS  19           HB3      LYS  19   4.772 -12.531   4.795
  138   1HG   LYS  19           HG2      LYS  19   6.692 -13.280   3.291
  139   2HG   LYS  19           HG3      LYS  19   7.641 -13.545   4.764
  140   1HD   LYS  19           HD2      LYS  19   5.916 -15.215   5.518
  141   2HD   LYS  19           HD3      LYS  19   5.049 -14.956   3.985
  142   1HE   LYS  19           HE2      LYS  19   7.161 -15.640   2.748
  143   2HE   LYS  19           HE3      LYS  19   7.913 -16.006   4.309
  144   1HZ   LYS  19           HZ1      LYS  19   7.043 -17.962   3.279
  145   2HZ   LYS  19           HZ2      LYS  19   6.196 -17.667   4.656
  146   3HZ   LYS  19           HZ3      LYS  19   5.531 -17.329   3.186
  147    H    SER  20           H        SER  20   4.200  -9.855   4.269
  148    HA   SER  20           HA       SER  20   5.225  -8.587   1.972
  149   1HB   SER  20           HB2      SER  20   4.621 -10.798   0.930
  150   2HB   SER  20           HB3      SER  20   2.935 -10.446   1.354
  151    HG   SER  20           HG       SER  20   4.698  -8.890  -0.296
  152    H    THR  21           H        THR  21   4.068  -6.766   1.537
  153    HA   THR  21           HA       THR  21   1.638  -6.132   3.115
  154    HB   THR  21           HB       THR  21   4.236  -4.565   2.991
  155    HG1  THR  21           HG1      THR  21   3.852  -4.686   5.279
  156   1HG2  THR  21          HG21      THR  21   2.678  -2.931   4.461
  157   2HG2  THR  21          HG22      THR  21   2.887  -2.750   2.715
  158   3HG2  THR  21          HG23      THR  21   1.448  -3.543   3.341
  159    H    TRP  22           H        TRP  22   0.402  -6.409   1.280
  160    HA   TRP  22           HA       TRP  22   0.825  -4.481  -0.951
  161   1HB   TRP  22           HB2      TRP  22  -1.020  -6.879  -0.730
  162   2HB   TRP  22           HB3      TRP  22  -0.911  -5.748  -2.065
  163    HD1  TRP  22           HD1      TRP  22   2.552  -6.513  -1.146
  164    HE1  TRP  22           HE1      TRP  22   3.598  -7.998  -2.860
  165    HE3  TRP  22           HE3      TRP  22  -1.723  -8.131  -3.418
  166    HZ2  TRP  22           HZ2      TRP  22   2.686  -9.807  -4.992
  167    HZ3  TRP  22           HZ3      TRP  22  -1.620  -9.777  -5.243
  168    HH2  TRP  22           HH2      TRP  22   0.584 -10.602  -6.078
  169    H    LEU  23           H        LEU  23  -1.263  -3.374  -1.554
  170    HA   LEU  23           HA       LEU  23  -3.528  -3.413   0.136
  171   1HB   LEU  23           HB2      LEU  23  -3.275  -1.023   1.010
  172   2HB   LEU  23           HB3      LEU  23  -2.406  -2.302   1.821
  173    HG   LEU  23           HG       LEU  23  -0.353  -1.623   0.328
  174   1HD1  LEU  23          HD11      LEU  23  -1.683  -0.030  -1.154
  175   2HD1  LEU  23          HD12      LEU  23  -1.955   0.940   0.312
  176   3HD1  LEU  23          HD13      LEU  23  -0.314   0.722  -0.325
  177   1HD2  LEU  23          HD21      LEU  23  -0.352  -1.309   2.704
  178   2HD2  LEU  23          HD22      LEU  23   0.148   0.220   1.944
  179   3HD2  LEU  23          HD23      LEU  23  -1.510   0.036   2.578
  180    H    ILE  24           H        ILE  24  -4.973  -1.545  -0.465
  181    HA   ILE  24           HA       ILE  24  -4.807  -1.124  -3.414
  182    HB   ILE  24           HB       ILE  24  -7.209  -1.612  -1.628
  183   1HG1  ILE  24          HG12      ILE  24  -6.263  -3.199  -4.051
  184   2HG1  ILE  24          HG13      ILE  24  -5.748  -3.591  -2.406
  185   1HG2  ILE  24          HG21      ILE  24  -8.504  -1.461  -3.802
  186   2HG2  ILE  24          HG22      ILE  24  -7.810   0.072  -3.307
  187   3HG2  ILE  24          HG23      ILE  24  -7.015  -0.883  -4.577
  188   1HD1  ILE  24          HD11      ILE  24  -8.132  -3.814  -1.690
  189   2HD1  ILE  24          HD12      ILE  24  -8.634  -3.611  -3.379
  190   3HD1  ILE  24          HD13      ILE  24  -7.645  -4.994  -2.909
  191    H    LEU  25           H        LEU  25  -4.401   0.933  -3.854
  192    HA   LEU  25           HA       LEU  25  -5.791   3.122  -2.346
  193   1HB   LEU  25           HB2      LEU  25  -3.078   3.019  -3.650
  194   2HB   LEU  25           HB3      LEU  25  -3.968   4.507  -3.387
  195    HG   LEU  25           HG       LEU  25  -3.420   4.759  -1.328
  196   1HD1  LEU  25          HD11      LEU  25  -3.205   3.011   0.377
  197   2HD1  LEU  25          HD12      LEU  25  -4.761   3.027  -0.466
  198   3HD1  LEU  25          HD13      LEU  25  -3.552   1.793  -0.882
  199   1HD2  LEU  25          HD21      LEU  25  -1.316   2.642  -2.004
  200   2HD2  LEU  25          HD22      LEU  25  -1.271   4.362  -2.449
  201   3HD2  LEU  25          HD23      LEU  25  -1.173   3.873  -0.750
  202    H    HIS  26           H        HIS  26  -7.528   3.571  -3.579
  203    HA   HIS  26           HA       HIS  26  -8.834   4.026  -5.397
  204   1HB   HIS  26           HB2      HIS  26  -6.264   4.908  -6.752
  205   2HB   HIS  26           HB3      HIS  26  -7.909   5.408  -7.151
  206    HD1  HIS  26           HD1      HIS  26  -9.049   7.204  -5.423
  207    HD2  HIS  26           HD2      HIS  26  -5.078   6.042  -4.675
  208    HE1  HIS  26           HE1      HIS  26  -8.131   8.834  -3.700
  209    H    TYR  27           H        TYR  27  -8.337   1.400  -5.229
  210    HA   TYR  27           HA       TYR  27  -8.544  -0.546  -6.324
  211   1HB   TYR  27           HB2      TYR  27  -8.807   0.931  -8.944
  212   2HB   TYR  27           HB3      TYR  27  -9.426  -0.650  -8.505
  213    HD1  TYR  27           HD1      TYR  27 -10.365   2.702  -8.969
  214    HD2  TYR  27           HD2      TYR  27 -11.024  -0.622  -6.301
  215    HE1  TYR  27           HE1      TYR  27 -12.498   3.712  -8.235
  216    HE2  TYR  27           HE2      TYR  27 -13.156   0.400  -5.560
  217    HH   TYR  27           HH       TYR  27 -14.353   3.500  -6.875
  218    H    LYS  28           H        LYS  28  -5.798   1.308  -6.671
  219    HA   LYS  28           HA       LYS  28  -4.432  -0.604  -8.499
  220   1HB   LYS  28           HB2      LYS  28  -3.782   2.181  -7.527
  221   2HB   LYS  28           HB3      LYS  28  -2.596   1.126  -8.317
  222   1HG   LYS  28           HG2      LYS  28  -3.915   0.960 -10.304
  223   2HG   LYS  28           HG3      LYS  28  -5.324   1.715  -9.527
  224   1HD   LYS  28           HD2      LYS  28  -4.252   3.861  -9.426
  225   2HD   LYS  28           HD3      LYS  28  -2.678   3.187  -9.854
  226   1HE   LYS  28           HE2      LYS  28  -3.784   4.371 -11.766
  227   2HE   LYS  28           HE3      LYS  28  -3.379   2.683 -12.117
  228   1HZ   LYS  28           HZ1      LYS  28  -6.082   3.529 -11.288
  229   2HZ   LYS  28           HZ2      LYS  28  -5.609   3.329 -12.856
  230   3HZ   LYS  28           HZ3      LYS  28  -5.629   2.059 -11.873
  231    H    VAL  29           H        VAL  29  -3.007  -2.038  -7.737
  232    HA   VAL  29           HA       VAL  29  -2.853  -2.278  -4.821
  233    HB   VAL  29           HB       VAL  29  -1.907  -4.329  -6.815
  234   1HG1  VAL  29          HG11      VAL  29  -2.178  -5.838  -4.934
  235   2HG1  VAL  29          HG12      VAL  29  -1.241  -4.458  -4.334
  236   3HG1  VAL  29          HG13      VAL  29  -2.963  -4.579  -3.957
  237   1HG2  VAL  29          HG21      VAL  29  -4.111  -5.433  -6.407
  238   2HG2  VAL  29          HG22      VAL  29  -4.688  -3.933  -5.651
  239   3HG2  VAL  29          HG23      VAL  29  -4.219  -3.949  -7.364
  240    H    TYR  30           H        TYR  30  -1.033  -1.921  -3.719
  241    HA   TYR  30           HA       TYR  30   1.541  -1.399  -5.183
  242   1HB   TYR  30           HB2      TYR  30   0.226   0.054  -2.856
  243   2HB   TYR  30           HB3      TYR  30   1.859   0.357  -3.430
  244    HD1  TYR  30           HD1      TYR  30   2.175   1.053  -5.880
  245    HD2  TYR  30           HD2      TYR  30  -1.694   1.028  -4.013
  246    HE1  TYR  30           HE1      TYR  30   1.326   2.693  -7.560
  247    HE2  TYR  30           HE2      TYR  30  -2.482   2.734  -5.671
  248    HH   TYR  30           HH       TYR  30  -0.139   4.724  -7.168
  249    H    ASP  31           H        ASP  31   3.009  -2.923  -4.616
  250    HA   ASP  31           HA       ASP  31   2.930  -4.177  -1.909
  251   1HB   ASP  31           HB2      ASP  31   3.287  -5.665  -3.877
  252   2HB   ASP  31           HB3      ASP  31   4.759  -4.777  -4.268
  253    H    LEU  32           H        LEU  32   4.043  -3.011  -0.376
  254    HA   LEU  32           HA       LEU  32   6.604  -1.734  -1.194
  255   1HB   LEU  32           HB2      LEU  32   4.862  -0.832   1.056
  256   2HB   LEU  32           HB3      LEU  32   6.212   0.007   0.373
  257    HG   LEU  32           HG       LEU  32   4.507  -0.277  -1.856
  258   1HD1  LEU  32          HD11      LEU  32   2.856   0.684   0.514
  259   2HD1  LEU  32          HD12      LEU  32   2.323   0.479  -1.164
  260   3HD1  LEU  32          HD13      LEU  32   2.699  -0.941  -0.186
  261   1HD2  LEU  32          HD21      LEU  32   4.738   2.144  -0.076
  262   2HD2  LEU  32          HD22      LEU  32   6.005   1.590  -1.196
  263   3HD2  LEU  32          HD23      LEU  32   4.439   2.062  -1.841
  264    H    THR  33           H        THR  33   6.013  -4.501  -0.221
  265    HA   THR  33           HA       THR  33   6.476  -4.828   2.480
  266    HB   THR  33           HB       THR  33   5.890  -6.573   0.827
  267    HG1  THR  33           HG1      THR  33   6.754  -6.932   3.039
  268   1HG2  THR  33          HG21      THR  33   7.675  -6.201  -0.860
  269   2HG2  THR  33          HG22      THR  33   8.829  -6.964   0.270
  270   3HG2  THR  33          HG23      THR  33   7.439  -7.875  -0.343
  271    H    LYS  34           H        LYS  34   8.962  -4.412  -0.006
  272    HA   LYS  34           HA       LYS  34  11.130  -4.831   1.914
  273   1HB   LYS  34           HB2      LYS  34  11.087  -5.351  -0.645
  274   2HB   LYS  34           HB3      LYS  34  11.428  -3.634  -0.840
  275   1HG   LYS  34           HG2      LYS  34  13.309  -4.423   1.105
  276   2HG   LYS  34           HG3      LYS  34  13.084  -5.895   0.192
  277   1HD   LYS  34           HD2      LYS  34  14.952  -4.716  -0.750
  278   2HD   LYS  34           HD3      LYS  34  13.632  -4.705  -1.919
  279   1HE   LYS  34           HE2      LYS  34  14.855  -2.524  -1.779
  280   2HE   LYS  34           HE3      LYS  34  13.135  -2.353  -1.443
  281   1HZ   LYS  34           HZ1      LYS  34  14.407  -1.105   0.139
  282   2HZ   LYS  34           HZ2      LYS  34  13.624  -2.260   0.894
  283   3HZ   LYS  34           HZ3      LYS  34  15.247  -2.429   0.630
  284    H    PHE  35           H        PHE  35   9.001  -2.332   1.694
  285    HA   PHE  35           HA       PHE  35  10.979  -0.108   1.929
  286   1HB   PHE  35           HB2      PHE  35   9.230  -0.604  -0.106
  287   2HB   PHE  35           HB3      PHE  35   8.216   0.290   0.930
  288    HD1  PHE  35           HD1      PHE  35   8.068   2.604   0.712
  289    HD2  PHE  35           HD2      PHE  35  11.744   0.602  -0.334
  290    HE1  PHE  35           HE1      PHE  35   9.039   4.760  -0.021
  291    HE2  PHE  35           HE2      PHE  35  12.744   2.775  -0.956
  292    HZ   PHE  35           HZ       PHE  35  11.383   4.853  -0.849
  293    H    LEU  36           H        LEU  36   9.282  -1.978   3.944
  294    HA   LEU  36           HA       LEU  36   7.337  -0.249   5.106
  295   1HB   LEU  36           HB2      LEU  36   8.964  -2.555   6.260
  296   2HB   LEU  36           HB3      LEU  36   7.598  -1.802   7.087
  297    HG   LEU  36           HG       LEU  36   7.360  -3.090   4.342
  298   1HD1  LEU  36          HD11      LEU  36   6.705  -4.241   7.085
  299   2HD1  LEU  36          HD12      LEU  36   6.374  -5.014   5.516
  300   3HD1  LEU  36          HD13      LEU  36   8.049  -4.748   6.035
  301   1HD2  LEU  36          HD21      LEU  36   5.293  -2.156   6.375
  302   2HD2  LEU  36          HD22      LEU  36   5.596  -1.489   4.751
  303   3HD2  LEU  36          HD23      LEU  36   4.957  -3.111   4.915
  304    H    GLU  37           H        GLU  37  10.653  -1.028   6.194
  305    HA   GLU  37           HA       GLU  37  10.850   0.975   8.187
  306   1HB   GLU  37           HB2      GLU  37  13.038  -0.312   6.519
  307   2HB   GLU  37           HB3      GLU  37  13.224   0.532   8.057
  308   1HG   GLU  37           HG2      GLU  37  13.267  -1.715   8.687
  309   2HG   GLU  37           HG3      GLU  37  11.609  -1.234   9.054
  310    H    GLU  38           H        GLU  38  11.414   1.012   4.700
  311    HA   GLU  38           HA       GLU  38  12.792   3.520   4.563
  312   1HB   GLU  38           HB2      GLU  38  11.230   2.016   2.453
  313   2HB   GLU  38           HB3      GLU  38  12.360   3.305   2.149
  314   1HG   GLU  38           HG2      GLU  38  14.064   1.840   3.512
  315   2HG   GLU  38           HG3      GLU  38  12.980   0.502   3.121
  316    H    HIS  39           HN       HIS  39   9.358   2.595   4.316
  317    HA   HIS  39           HA       HIS  39   8.329   5.070   3.475
  318   1HB   HIS  39           HB2      HIS  39   6.977   3.069   3.486
  319   2HB   HIS  39           HB3      HIS  39   7.064   2.963   5.246
  320    HD1  HIS  39           HND      HIS  39   4.992   3.962   6.462
  321    HD2  HIS  39           HD       HIS  39   5.698   5.509   2.596
  322    HE1  HIS  39           HE       HIS  39   3.039   5.471   5.908
  323    HA   PRO  40           HA       PRO  40   9.652   7.197   7.232
  324   1HB   PRO  40           HB2      PRO  40   8.802   9.748   6.696
  325   2HB   PRO  40           HB3      PRO  40  10.209   8.991   5.893
  326   1HG   PRO  40           HG2      PRO  40   7.373   9.168   4.847
  327   2HG   PRO  40           HG3      PRO  40   8.881   9.596   3.988
  328   1HD   PRO  40           HD2      PRO  40   7.684   7.195   3.643
  329   2HD   PRO  40           HD3      PRO  40   9.469   7.307   3.716
  330    H    GLY  41           H        GLY  41   6.332   7.389   5.956
  331   1HA   GLY  41           HA1      GLY  41   5.113   8.436   8.355
  332   2HA   GLY  41           HA2      GLY  41   4.338   7.719   6.936
  333    H    GLY  42           H        GLY  42   6.609   6.239   9.246
  334   1HA   GLY  42           HA1      GLY  42   6.304   4.582  10.792
  335   2HA   GLY  42           HA2      GLY  42   4.558   4.682  10.574
  336    H    GLU  43           H        GLU  43   7.069   2.609  10.354
  337    HA   GLU  43           HA       GLU  43   6.308   1.065   8.039
  338   1HB   GLU  43           HB2      GLU  43   7.792  -0.628   8.949
  339   2HB   GLU  43           HB3      GLU  43   8.521   0.970   8.879
  340   1HG   GLU  43           HG2      GLU  43   9.344   0.055  10.824
  341   2HG   GLU  43           HG3      GLU  43   8.109   1.177  11.395
  342    H    ALA  44           H        ALA  44   5.765   0.506  11.595
  343    HA   ALA  44           HA       ALA  44   3.747  -1.286  11.551
  344   1HB   ALA  44           HB1      ALA  44   3.901   1.218  13.282
  345   2HB   ALA  44           HB2      ALA  44   2.896  -0.207  13.620
  346   3HB   ALA  44           HB3      ALA  44   4.659  -0.353  13.622
  347    H    VAL  45           H        VAL  45   3.228   2.227  11.063
  348    HA   VAL  45           HA       VAL  45   0.408   2.144  10.863
  349    HB   VAL  45           HB       VAL  45   2.490   3.984   9.638
  350   1HG1  VAL  45          HG11      VAL  45  -0.531   4.295   9.685
  351   2HG1  VAL  45          HG12      VAL  45   0.602   5.642   9.431
  352   3HG1  VAL  45          HG13      VAL  45   0.568   4.311   8.279
  353   1HG2  VAL  45          HG21      VAL  45   0.660   4.301  12.057
  354   2HG2  VAL  45          HG22      VAL  45   2.401   3.959  12.127
  355   3HG2  VAL  45          HG23      VAL  45   1.832   5.499  11.471
  356    H    LEU  46           H        LEU  46   2.885   1.968   8.216
  357    HA   LEU  46           HA       LEU  46   1.018   1.550   6.131
  358   1HB   LEU  46           HB2      LEU  46   3.183   2.394   5.717
  359   2HB   LEU  46           HB3      LEU  46   3.974   1.054   6.559
  360    HG   LEU  46           HG       LEU  46   3.371  -0.484   4.859
  361   1HD1  LEU  46          HD11      LEU  46   2.355   0.224   2.720
  362   2HD1  LEU  46          HD12      LEU  46   1.218   0.501   4.042
  363   3HD1  LEU  46          HD13      LEU  46   2.112   1.869   3.352
  364   1HD2  LEU  46          HD21      LEU  46   4.535   2.041   3.591
  365   2HD2  LEU  46          HD22      LEU  46   5.440   0.960   4.663
  366   3HD2  LEU  46          HD23      LEU  46   4.853   0.368   3.097
  367    H    ARG  47           H        ARG  47   2.697  -0.718   8.340
  368    HA   ARG  47           HA       ARG  47   1.970  -3.113   6.929
  369   1HB   ARG  47           HB2      ARG  47   3.826  -2.921   8.586
  370   2HB   ARG  47           HB3      ARG  47   2.617  -2.752   9.878
  371   1HG   ARG  47           HG2      ARG  47   1.675  -4.983   9.202
  372   2HG   ARG  47           HG3      ARG  47   2.988  -5.159   8.032
  373   1HD   ARG  47           HD2      ARG  47   3.307  -4.902  11.075
  374   2HD   ARG  47           HD3      ARG  47   3.298  -6.398  10.166
  375    HE   ARG  47           HE       ARG  47   5.430  -6.161   9.528
  376   1HH1  ARG  47          HH11      ARG  47   7.716  -3.556  10.292
  377   2HH1  ARG  47          HH12      ARG  47   7.597  -5.116   9.463
  378   1HH2  ARG  47          HH21      ARG  47   6.093  -2.558  11.201
  379   2HH2  ARG  47          HH22      ARG  47   4.423  -3.139  11.115
  380    H    ALA  48           H        ALA  48   0.505  -1.269   9.601
  381    HA   ALA  48           HA       ALA  48  -1.523  -3.073  10.345
  382   1HB   ALA  48           HB1      ALA  48  -1.380  -0.033  10.463
  383   2HB   ALA  48           HB2      ALA  48  -2.527  -1.041  11.386
  384   3HB   ALA  48           HB3      ALA  48  -0.775  -1.165  11.682
  385    H    GLN  49           H        GLN  49  -1.462  -0.537   7.836
  386    HA   GLN  49           HA       GLN  49  -4.246  -1.045   7.028
  387   1HB   GLN  49           HB2      GLN  49  -1.962   0.785   6.286
  388   2HB   GLN  49           HB3      GLN  49  -3.349   0.668   5.213
  389   1HG   GLN  49           HG2      GLN  49  -3.592   1.405   8.161
  390   2HG   GLN  49           HG3      GLN  49  -3.597   2.542   6.805
  391   1HE2  GLN  49          HE21      GLN  49  -5.610   0.279   8.575
  392   2HE2  GLN  49          HE22      GLN  49  -7.040   0.593   7.603
  393    H    ALA  50           H        ALA  50  -1.323  -2.619   6.423
  394    HA   ALA  50           HA       ALA  50  -1.541  -3.224   3.673
  395   1HB   ALA  50           HB1      ALA  50  -0.621  -5.123   5.853
  396   2HB   ALA  50           HB2      ALA  50  -0.136  -5.094   4.143
  397   3HB   ALA  50           HB3      ALA  50   0.364  -3.786   5.242
  398    H    GLY  51           H        GLY  51  -2.603  -4.904   2.561
  399   1HA   GLY  51           HA1      GLY  51  -3.704  -7.087   2.797
  400   2HA   GLY  51           HA2      GLY  51  -4.788  -6.387   4.005
  401    H    GLY  52           H        GLY  52  -5.166  -3.779   2.525
  402   1HA   GLY  52           HA1      GLY  52  -6.358  -4.373   0.001
  403   2HA   GLY  52           HA2      GLY  52  -7.557  -4.655   1.282
  404    H    ASP  53           H        ASP  53  -8.899  -2.860   1.239
  405    HA   ASP  53           HA       ASP  53  -8.228  -0.400   0.132
  406   1HB   ASP  53           HB2      ASP  53 -10.556  -1.030   0.496
  407   2HB   ASP  53           HB3      ASP  53 -10.320  -0.965   2.255
  408    H    ALA  54           H        ALA  54  -6.603   0.842   0.729
  409    HA   ALA  54           HA       ALA  54  -6.784   2.017   3.464
  410   1HB   ALA  54           HB1      ALA  54  -4.751   0.605   3.415
  411   2HB   ALA  54           HB2      ALA  54  -4.190   1.451   1.960
  412   3HB   ALA  54           HB3      ALA  54  -4.348   2.341   3.495
  413    H    THR  55           H        THR  55  -8.021   2.577   0.798
  414    HA   THR  55           HA       THR  55  -6.501   4.673  -0.493
  415    HB   THR  55           HB       THR  55  -9.481   3.998  -0.632
  416    HG1  THR  55           HG1      THR  55  -7.980   2.316  -1.258
  417   1HG2  THR  55          HG21      THR  55  -8.972   6.256  -1.529
  418   2HG2  THR  55          HG22      THR  55  -7.621   5.578  -2.463
  419   3HG2  THR  55          HG23      THR  55  -9.297   5.128  -2.859
  420    H    ALA  56           H        ALA  56  -9.305   4.600   1.736
  421    HA   ALA  56           HA       ALA  56  -9.596   7.388   2.069
  422   1HB   ALA  56           HB1      ALA  56 -11.256   5.732   2.866
  423   2HB   ALA  56           HB2      ALA  56 -10.106   5.142   4.087
  424   3HB   ALA  56           HB3      ALA  56 -10.745   6.796   4.192
  425    H    ASN  57           H        ASN  57  -7.667   5.098   4.083
  426    HA   ASN  57           HA       ASN  57  -6.616   7.052   5.817
  427   1HB   ASN  57           HB2      ASN  57  -5.496   4.367   4.936
  428   2HB   ASN  57           HB3      ASN  57  -4.770   5.375   6.195
  429   1HD2  ASN  57          HD21      ASN  57  -5.305   4.637   8.224
  430   2HD2  ASN  57          HD22      ASN  57  -6.891   4.012   8.643
  431    H    PHE  58           H        PHE  58  -5.168   5.707   2.810
  432    HA   PHE  58           HA       PHE  58  -2.785   7.173   2.757
  433   1HB   PHE  58           HB2      PHE  58  -3.300   5.363   1.214
  434   2HB   PHE  58           HB3      PHE  58  -4.597   6.296   0.479
  435    HD1  PHE  58           HD1      PHE  58  -4.144   8.082  -1.146
  436    HD2  PHE  58           HD2      PHE  58  -0.913   6.043   0.861
  437    HE1  PHE  58           HE1      PHE  58  -2.555   9.051  -2.733
  438    HE2  PHE  58           HE2      PHE  58   0.694   6.998  -0.771
  439    HZ   PHE  58           HZ       PHE  58  -0.122   8.500  -2.576
  440    H    GLU  59           H        GLU  59  -5.980   8.093   1.372
  441    HA   GLU  59           HA       GLU  59  -5.167  10.679   0.499
  442   1HB   GLU  59           HB2      GLU  59  -7.876   9.475   1.114
  443   2HB   GLU  59           HB3      GLU  59  -7.651  11.061   0.355
  444   1HG   GLU  59           HG2      GLU  59  -6.497   8.499  -0.846
  445   2HG   GLU  59           HG3      GLU  59  -8.086   9.148  -1.238
  446    H    ALA  60           H        ALA  60  -6.653   9.545   3.535
  447    HA   ALA  60           HA       ALA  60  -7.260  12.058   4.657
  448   1HB   ALA  60           HB1      ALA  60  -7.189  10.911   6.830
  449   2HB   ALA  60           HB2      ALA  60  -8.035   9.926   5.622
  450   3HB   ALA  60           HB3      ALA  60  -6.374   9.518   6.100
  451    H    VAL  61           H        VAL  61  -4.264  10.079   4.977
  452    HA   VAL  61           HA       VAL  61  -2.818  12.470   6.026
  453    HB   VAL  61           HB       VAL  61  -0.966  11.060   6.430
  454   1HG1  VAL  61          HG11      VAL  61  -3.498   9.653   7.370
  455   2HG1  VAL  61          HG12      VAL  61  -1.915   9.676   8.167
  456   3HG1  VAL  61          HG13      VAL  61  -2.859  11.166   8.052
  457   1HG2  VAL  61          HG21      VAL  61  -2.377   9.048   4.712
  458   2HG2  VAL  61          HG22      VAL  61  -0.656   9.410   4.913
  459   3HG2  VAL  61          HG23      VAL  61  -1.504   8.447   6.129
  460    H    GLY  62           H        GLY  62  -3.752  13.301   3.939
  461   1HA   GLY  62           HA1      GLY  62  -3.331  12.942   1.400
  462   2HA   GLY  62           HA2      GLY  62  -3.087  14.546   2.093
  463    H    HIS  63           HN       HIS  63  -1.593  11.777   0.661
  464    HA   HIS  63           HA       HIS  63   1.135  12.364   1.220
  465   1HB   HIS  63           HB2      HIS  63  -0.300  10.717  -0.891
  466   2HB   HIS  63           HB3      HIS  63   1.456  10.860  -0.846
  467    HD1  HIS  63           HND      HIS  63  -1.323   9.680   1.694
  468    HD2  HIS  63           HD       HIS  63   2.753   9.318   0.685
  469    HE1  HIS  63           HE       HIS  63  -0.356   7.902   3.204
  470    H    SER  64           H        SER  64   2.728  13.364   0.017
  471    HA   SER  64           HA       SER  64   1.924  15.694  -1.463
  472   1HB   SER  64           HB2      SER  64   3.933  15.505   0.036
  473   2HB   SER  64           HB3      SER  64   4.698  14.468  -1.178
  474    HG   SER  64           HG       SER  64   5.261  16.703  -1.386
  475    H    THR  65           H        THR  65   3.558  16.070  -3.503
  476    HA   THR  65           HA       THR  65   2.265  14.643  -5.675
  477    HB   THR  65           HB       THR  65   4.041  15.955  -7.019
  478    HG1  THR  65           HG1      THR  65   5.174  17.518  -5.742
  479   1HG2  THR  65          HG21      THR  65   2.345  17.574  -5.058
  480   2HG2  THR  65          HG22      THR  65   3.020  18.159  -6.592
  481   3HG2  THR  65          HG23      THR  65   1.779  16.892  -6.598
  482    H    ASP  66           H        ASP  66   5.731  14.971  -5.039
  483    HA   ASP  66           HA       ASP  66   6.727  12.823  -6.451
  484   1HB   ASP  66           HB2      ASP  66   7.976  14.500  -4.939
  485   2HB   ASP  66           HB3      ASP  66   7.593  13.480  -3.567
  486    H    ALA  67           H        ALA  67   5.479  12.734  -3.195
  487    HA   ALA  67           HA       ALA  67   5.814   9.978  -2.641
  488   1HB   ALA  67           HB1      ALA  67   4.225  10.294  -0.828
  489   2HB   ALA  67           HB2      ALA  67   5.320  11.683  -0.947
  490   3HB   ALA  67           HB3      ALA  67   3.657  11.812  -1.549
  491    H    ARG  68           H        ARG  68   2.871  11.620  -4.130
  492    HA   ARG  68           HA       ARG  68   1.498   9.045  -4.212
  493   1HB   ARG  68           HB2      ARG  68  -0.320  10.203  -4.993
  494   2HB   ARG  68           HB3      ARG  68   0.522  11.524  -4.172
  495   1HG   ARG  68           HG2      ARG  68   1.668  11.909  -6.490
  496   2HG   ARG  68           HG3      ARG  68   0.425  10.831  -7.136
  497   1HD   ARG  68           HD2      ARG  68  -1.260  12.459  -6.342
  498   2HD   ARG  68           HD3      ARG  68   0.058  13.499  -5.741
  499    HE   ARG  68           HE       ARG  68   0.592  12.666  -8.460
  500   1HH1  ARG  68          HH11      ARG  68   0.072  15.585 -10.077
  501   2HH1  ARG  68          HH12      ARG  68   0.811  13.977  -9.986
  502   1HH2  ARG  68          HH21      ARG  68  -1.246  16.236  -8.063
  503   2HH2  ARG  68          HH22      ARG  68  -1.365  15.062  -6.781
  504    H    GLU  69           H        GLU  69   3.711  10.851  -6.319
  505    HA   GLU  69           HA       GLU  69   3.047   9.327  -8.692
  506   1HB   GLU  69           HB2      GLU  69   5.329  11.090  -7.895
  507   2HB   GLU  69           HB3      GLU  69   5.188  10.413  -9.500
  508   1HG   GLU  69           HG2      GLU  69   3.371  12.454  -8.163
  509   2HG   GLU  69           HG3      GLU  69   4.379  12.671  -9.583
  510    H    LEU  70           H        LEU  70   5.521   9.239  -6.223
  511    HA   LEU  70           HA       LEU  70   7.163   7.190  -6.891
  512   1HB   LEU  70           HB2      LEU  70   7.543   8.687  -5.095
  513   2HB   LEU  70           HB3      LEU  70   6.144   8.077  -4.212
  514    HG   LEU  70           HG       LEU  70   7.186   6.386  -3.267
  515   1HD1  LEU  70          HD11      LEU  70   8.895   6.285  -5.726
  516   2HD1  LEU  70          HD12      LEU  70   9.279   5.370  -4.235
  517   3HD1  LEU  70          HD13      LEU  70   7.708   5.129  -5.045
  518   1HD2  LEU  70          HD21      LEU  70   9.552   8.193  -3.908
  519   2HD2  LEU  70          HD22      LEU  70   8.348   8.502  -2.639
  520   3HD2  LEU  70          HD23      LEU  70   9.405   7.080  -2.531
  521    H    SER  71           H        SER  71   4.174   6.821  -5.010
  522    HA   SER  71           HA       SER  71   3.760   4.168  -4.773
  523   1HB   SER  71           HB2      SER  71   1.500   4.373  -4.904
  524   2HB   SER  71           HB3      SER  71   1.977   6.033  -4.498
  525    HG   SER  71           HG       SER  71   1.480   6.594  -6.591
  526    H    LYS  72           H        LYS  72   3.518   5.808  -7.980
  527    HA   LYS  72           HA       LYS  72   2.444   3.550  -9.357
  528   1HB   LYS  72           HB2      LYS  72   4.022   5.893 -10.489
  529   2HB   LYS  72           HB3      LYS  72   2.981   4.777 -11.373
  530   1HG   LYS  72           HG2      LYS  72   0.990   5.594 -10.087
  531   2HG   LYS  72           HG3      LYS  72   2.036   6.594  -9.095
  532   1HD   LYS  72           HD2      LYS  72   1.175   8.158 -10.464
  533   2HD   LYS  72           HD3      LYS  72   2.738   7.875 -11.186
  534   1HE   LYS  72           HE2      LYS  72   0.040   6.725 -12.117
  535   2HE   LYS  72           HE3      LYS  72   0.875   8.112 -12.829
  536   1HZ   LYS  72           HZ1      LYS  72   2.698   6.624 -13.387
  537   2HZ   LYS  72           HZ2      LYS  72   1.835   5.337 -12.829
  538   3HZ   LYS  72           HZ3      LYS  72   1.290   6.188 -14.123
  539    H    THR  73           H        THR  73   5.783   4.522  -8.583
  540    HA   THR  73           HA       THR  73   7.126   2.667 -10.322
  541    HB   THR  73           HB       THR  73   7.991   3.933  -7.680
  542    HG1  THR  73           HG1      THR  73   8.265   4.778 -10.368
  543   1HG2  THR  73          HG21      THR  73  10.284   3.687  -8.562
  544   2HG2  THR  73          HG22      THR  73   9.514   2.141  -8.192
  545   3HG2  THR  73          HG23      THR  73   9.654   2.678  -9.886
  546    H    PHE  74           H        PHE  74   5.393   2.385  -7.353
  547    HA   PHE  74           HA       PHE  74   6.391  -0.360  -6.754
  548   1HB   PHE  74           HB2      PHE  74   4.791   1.683  -5.144
  549   2HB   PHE  74           HB3      PHE  74   4.977   0.009  -4.683
  550    HD1  PHE  74           HD1      PHE  74   6.609  -0.530  -3.187
  551    HD2  PHE  74           HD2      PHE  74   7.217   2.891  -5.721
  552    HE1  PHE  74           HE1      PHE  74   8.783  -0.136  -2.127
  553    HE2  PHE  74           HE2      PHE  74   9.456   3.220  -4.703
  554    HZ   PHE  74           HZ       PHE  74  10.124   1.835  -2.730
  555    H    ILE  75           H        ILE  75   4.125   0.950  -8.814
  556    HA   ILE  75           HA       ILE  75   1.773  -0.473  -7.950
  557    HB   ILE  75           HB       ILE  75   2.142   1.414  -9.788
  558   1HG1  ILE  75          HG12      ILE  75  -0.029  -0.685  -9.675
  559   2HG1  ILE  75          HG13      ILE  75   0.114   0.845  -8.773
  560   1HG2  ILE  75          HG21      ILE  75   1.864  -1.086 -11.487
  561   2HG2  ILE  75          HG22      ILE  75   1.901   0.601 -12.059
  562   3HG2  ILE  75          HG23      ILE  75   3.356  -0.109 -11.374
  563   1HD1  ILE  75          HD11      ILE  75  -1.455   1.169 -10.522
  564   2HD1  ILE  75          HD12      ILE  75   0.018   2.109 -10.870
  565   3HD1  ILE  75          HD13      ILE  75  -0.322   0.588 -11.751
  566    H    ILE  76           H        ILE  76   1.394  -2.626  -7.947
  567    HA   ILE  76           HA       ILE  76   3.113  -4.375  -9.687
  568    HB   ILE  76           HB       ILE  76   2.204  -6.200  -8.282
  569   1HG1  ILE  76          HG12      ILE  76   1.411  -4.041  -6.278
  570   2HG1  ILE  76          HG13      ILE  76   0.244  -4.702  -7.424
  571   1HG2  ILE  76          HG21      ILE  76   3.784  -4.040  -6.804
  572   2HG2  ILE  76          HG22      ILE  76   3.807  -5.779  -6.459
  573   3HG2  ILE  76          HG23      ILE  76   4.460  -5.179  -7.981
  574   1HD1  ILE  76          HD11      ILE  76   0.580  -6.948  -6.575
  575   2HD1  ILE  76          HD12      ILE  76   1.894  -6.395  -5.518
  576   3HD1  ILE  76          HD13      ILE  76   0.244  -5.851  -5.220
  577    H    GLY  77           H        GLY  77  -0.075  -2.979  -9.327
  578   1HA   GLY  77           HA1      GLY  77  -0.949  -3.206 -11.817
  579   2HA   GLY  77           HA2      GLY  77  -1.308  -4.832 -11.221
  580    H    GLU  78           H        GLU  78  -3.495  -4.708 -11.106
  581    HA   GLU  78           HA       GLU  78  -4.706  -2.594  -9.404
  582   1HB   GLU  78           HB2      GLU  78  -5.153  -3.136 -12.312
  583   2HB   GLU  78           HB3      GLU  78  -6.594  -2.996 -11.329
  584   1HG   GLU  78           HG2      GLU  78  -5.583  -0.811 -10.408
  585   2HG   GLU  78           HG3      GLU  78  -4.437  -0.921 -11.756
  586    H    LEU  79           H        LEU  79  -6.906  -2.955  -8.918
  587    HA   LEU  79           HA       LEU  79  -7.340  -5.408  -7.569
  588   1HB   LEU  79           HB2      LEU  79  -8.327  -3.192  -6.980
  589   2HB   LEU  79           HB3      LEU  79  -9.242  -3.215  -8.495
  590    HG   LEU  79           HG       LEU  79 -10.381  -5.316  -7.711
  591   1HD1  LEU  79          HD11      LEU  79  -9.474  -6.424  -5.944
  592   2HD1  LEU  79          HD12      LEU  79  -8.405  -5.064  -5.537
  593   3HD1  LEU  79          HD13      LEU  79 -10.048  -5.105  -4.910
  594   1HD2  LEU  79          HD21      LEU  79 -10.710  -2.964  -5.848
  595   2HD2  LEU  79          HD22      LEU  79 -11.299  -3.021  -7.531
  596   3HD2  LEU  79          HD23      LEU  79 -11.925  -4.167  -6.350
  597    H    HIS  80           H        HIS  80  -8.284  -7.274  -8.237
  598    HA   HIS  80           HA       HIS  80  -8.568  -7.958 -10.917
  599   1HB   HIS  80           HB2      HIS  80  -8.374  -9.419  -8.822
  600   2HB   HIS  80           HB3      HIS  80 -10.137  -9.361  -8.743
  601    HD1  HIS  80           HD1      HIS  80 -11.312 -11.033 -10.508
  602    HD2  HIS  80           HD2      HIS  80  -7.149 -10.598 -10.907
  603    HE1  HIS  80           HE1      HIS  80 -10.591 -12.720 -12.227
  604    HA   PRO  81           HA       PRO  81 -12.457  -6.241 -12.200
  605   1HB   PRO  81           HB2      PRO  81 -13.056  -7.828 -14.351
  606   2HB   PRO  81           HB3      PRO  81 -11.817  -6.540 -14.344
  607   1HG   PRO  81           HG2      PRO  81 -11.383  -9.506 -13.847
  608   2HG   PRO  81           HG3      PRO  81 -10.502  -8.457 -15.002
  609   1HD   PRO  81           HD2      PRO  81  -9.482  -8.993 -12.618
  610   2HD   PRO  81           HD3      PRO  81  -9.399  -7.314 -13.216
  611    H    ASP  82           H        ASP  82 -12.109  -9.318 -10.774
  612    HA   ASP  82           HA       ASP  82 -14.932 -10.119 -10.883
  613   1HB   ASP  82           HB2      ASP  82 -13.088 -11.792 -10.800
  614   2HB   ASP  82           HB3      ASP  82 -12.640 -11.167  -9.172
  615    H    ASP  83           H        ASP  83 -12.764  -8.204  -8.839
  616    HA   ASP  83           HA       ASP  83 -14.392  -8.367  -6.417
  617   1HB   ASP  83           HB2      ASP  83 -11.994  -8.086  -6.275
  618   2HB   ASP  83           HB3      ASP  83 -12.087  -6.605  -7.270
  619    H    ARG  84           H        ARG  84 -13.536  -5.825  -8.707
  620    HA   ARG  84           HA       ARG  84 -15.169  -3.833  -7.585
  621   1HB   ARG  84           HB2      ARG  84 -14.536  -2.488  -9.507
  622   2HB   ARG  84           HB3      ARG  84 -13.143  -3.410  -8.908
  623   1HG   ARG  84           HG2      ARG  84 -13.535  -5.108 -10.710
  624   2HG   ARG  84           HG3      ARG  84 -14.877  -4.142 -11.309
  625   1HD   ARG  84           HD2      ARG  84 -13.084  -3.601 -12.714
  626   2HD   ARG  84           HD3      ARG  84 -13.329  -2.215 -11.629
  627    HE   ARG  84           HE       ARG  84 -11.331  -4.110 -10.648
  628   1HH1  ARG  84          HH11      ARG  84  -8.584  -2.143 -11.824
  629   2HH1  ARG  84          HH12      ARG  84  -9.040  -3.594 -10.948
  630   1HH2  ARG  84          HH21      ARG  84 -10.120  -0.969 -12.951
  631   2HH2  ARG  84          HH22      ARG  84 -11.824  -1.376 -12.886
  632    HHA  HEM 201           HGM      HEM 201   4.470  10.832   5.096
  633    HHB  HEM 201           HDM      HEM 201   5.799   7.624  -0.358
  634    HHC  HEM 201           HAM      HEM 201   0.863   3.661   0.819
  635    HHD  HEM 201           HBM      HEM 201  -0.053   6.480   6.564
  636   1HMA  HEM 201          HM81      HEM 201   6.927   9.524  -0.368
  637   2HMA  HEM 201          HM82      HEM 201   7.139  11.029   0.508
  638   3HMA  HEM 201          HM83      HEM 201   8.092   9.604   0.968
  639   1HAA  HEM 201          HAA1      HEM 201   6.573  11.526   4.237
  640   2HAA  HEM 201          HAA2      HEM 201   7.208  11.801   2.626
  641   1HBA  HEM 201          HBA1      HEM 201   5.781  13.658   3.414
  642   2HBA  HEM 201          HBA2      HEM 201   4.392  12.572   3.518
  643   1HMB  HEM 201          HM11      HEM 201   4.546   4.823  -2.713
  644   2HMB  HEM 201          HM12      HEM 201   4.894   6.543  -2.519
  645   3HMB  HEM 201          HM13      HEM 201   5.913   5.322  -1.719
  646    HAB  HEM 201          HT2A      HEM 201   2.408   2.725  -1.204
  647   1HBB  HEM 201          HV2C      HEM 201   1.123   5.119  -2.482
  648   2HBB  HEM 201          HV2T      HEM 201   0.927   3.284  -2.855
  649   1HMC  HEM 201          HM31      HEM 201  -1.106   2.193   3.428
  650   2HMC  HEM 201          HM32      HEM 201  -2.224   3.383   2.740
  651   3HMC  HEM 201          HM33      HEM 201  -0.910   2.732   1.748
  652    HAC  HEM 201          HT4A      HEM 201  -2.439   5.306   5.345
  653   1HBC  HEM 201          HV4C      HEM 201  -0.762   3.101   6.624
  654   2HBC  HEM 201          HV4T      HEM 201  -2.008   4.218   7.454
  655   1HMD  HEM 201          HM51      HEM 201  -0.110   8.092   8.109
  656   2HMD  HEM 201          HM52      HEM 201   1.457   8.013   8.938
  657   3HMD  HEM 201          HM53      HEM 201   0.690   9.581   8.611
  658   1HAD  HEM 201          HAD1      HEM 201   2.918  10.407   8.523
  659   2HAD  HEM 201          HAD2      HEM 201   4.072  10.920   7.319
  660   1HBD  HEM 201          HBD1      HEM 201   2.390  12.346   6.307
  661   2HBD  HEM 201          HBD2      HEM 201   1.221  11.810   7.524
  Start of MODEL    9
    1   1H    ALA   3           H1       ALA   3   3.694  -2.154 -16.335
    2   2H    ALA   3           H2       ALA   3   4.273  -2.483 -14.855
    3   3H    ALA   3           H3       ALA   3   5.247  -2.734 -16.183
    4    HA   ALA   3           HA       ALA   3   3.728  -4.443 -16.952
    5   1HB   ALA   3           HB1      ALA   3   5.617  -5.131 -15.486
    6   2HB   ALA   3           HB2      ALA   3   4.601  -4.858 -14.052
    7   3HB   ALA   3           HB3      ALA   3   4.186  -6.138 -15.211
    8    H    VAL   4           H        VAL   4   1.958  -6.062 -15.824
    9    HA   VAL   4           HA       VAL   4   0.120  -4.767 -14.043
   10    HB   VAL   4           HB       VAL   4  -0.450  -3.666 -16.209
   11   1HG1  VAL   4          HG11      VAL   4  -1.138  -6.460 -17.226
   12   2HG1  VAL   4          HG12      VAL   4  -1.412  -4.925 -18.064
   13   3HG1  VAL   4          HG13      VAL   4   0.242  -5.481 -17.767
   14   1HG2  VAL   4          HG21      VAL   4  -2.821  -4.037 -16.173
   15   2HG2  VAL   4          HG22      VAL   4  -2.643  -5.604 -15.376
   16   3HG2  VAL   4          HG23      VAL   4  -2.216  -4.108 -14.510
   17    H    LYS   5           H        LYS   5  -1.476  -6.300 -13.396
   18    HA   LYS   5           HA       LYS   5  -2.096  -8.839 -14.308
   19   1HB   LYS   5           HB2      LYS   5   0.403  -8.716 -12.639
   20   2HB   LYS   5           HB3      LYS   5  -0.788  -9.911 -12.137
   21   1HG   LYS   5           HG2      LYS   5  -0.611 -11.204 -14.013
   22   2HG   LYS   5           HG3      LYS   5  -0.144  -9.869 -15.063
   23   1HD   LYS   5           HD2      LYS   5   2.060  -9.724 -13.888
   24   2HD   LYS   5           HD3      LYS   5   1.620 -11.168 -12.946
   25   1HE   LYS   5           HE2      LYS   5   1.391 -12.456 -15.090
   26   2HE   LYS   5           HE3      LYS   5   1.805 -10.996 -16.006
   27   1HZ   LYS   5           HZ1      LYS   5   3.583 -12.382 -14.110
   28   2HZ   LYS   5           HZ2      LYS   5   3.692 -12.419 -15.750
   29   3HZ   LYS   5           HZ3      LYS   5   3.958 -11.012 -14.943
   30    H    TYR   6           H        TYR   6  -4.125  -8.948 -13.311
   31    HA   TYR   6           HA       TYR   6  -4.574  -7.044 -11.181
   32   1HB   TYR   6           HB2      TYR   6  -6.565  -9.034 -12.253
   33   2HB   TYR   6           HB3      TYR   6  -6.842  -7.568 -11.337
   34    HD1  TYR   6           HD1      TYR   6  -5.964  -8.868 -14.696
   35    HD2  TYR   6           HD2      TYR   6  -6.772  -5.360 -12.329
   36    HE1  TYR   6           HE1      TYR   6  -5.794  -7.454 -16.729
   37    HE2  TYR   6           HE2      TYR   6  -6.584  -3.947 -14.357
   38    HH   TYR   6           HH       TYR   6  -6.070  -3.892 -16.587
   39    H    TYR   7           H        TYR   7  -5.355  -7.534  -9.058
   40    HA   TYR   7           HA       TYR   7  -4.911 -10.338  -8.109
   41   1HB   TYR   7           HB2      TYR   7  -4.143  -7.838  -6.590
   42   2HB   TYR   7           HB3      TYR   7  -3.809  -9.506  -6.160
   43    HD1  TYR   7           HD1      TYR   7  -2.447 -10.833  -8.193
   44    HD2  TYR   7           HD2      TYR   7  -2.342  -6.601  -7.388
   45    HE1  TYR   7           HE1      TYR   7  -0.358 -10.619  -9.518
   46    HE2  TYR   7           HE2      TYR   7  -0.258  -6.412  -8.653
   47    HH   TYR   7           HH       TYR   7   1.111  -7.425 -10.216
   48    H    THR   8           H        THR   8  -6.415 -11.071  -6.640
   49    HA   THR   8           HA       THR   8  -8.923  -9.598  -6.453
   50    HB   THR   8           HB       THR   8  -9.725 -11.607  -5.359
   51    HG1  THR   8           HG1      THR   8  -7.494 -13.133  -5.405
   52   1HG2  THR   8          HG21      THR   8  -9.448 -11.743  -7.836
   53   2HG2  THR   8          HG22      THR   8  -7.844 -12.476  -7.607
   54   3HG2  THR   8          HG23      THR   8  -9.290 -13.314  -7.029
   55    H    LEU   9           H        LEU   9 -10.001  -9.262  -4.323
   56    HA   LEU   9           HA       LEU   9  -8.477  -7.820  -2.480
   57   1HB   LEU   9           HB2      LEU   9 -11.149  -8.332  -2.839
   58   2HB   LEU   9           HB3      LEU   9 -10.864  -9.289  -1.406
   59    HG   LEU   9           HG       LEU   9 -10.425  -6.298  -1.793
   60   1HD1  LEU   9          HD11      LEU   9 -12.756  -7.138  -1.300
   61   2HD1  LEU   9          HD12      LEU   9 -12.146  -7.839   0.206
   62   3HD1  LEU   9          HD13      LEU   9 -12.108  -6.080  -0.039
   63   1HD2  LEU   9          HD21      LEU   9  -9.704  -7.986   0.635
   64   2HD2  LEU   9          HD22      LEU   9  -8.559  -7.054  -0.363
   65   3HD2  LEU   9          HD23      LEU   9  -9.760  -6.212   0.614
   66    H    GLU  10           H        GLU  10  -9.500 -11.199  -2.478
   67    HA   GLU  10           HA       GLU  10  -8.391 -12.295  -0.151
   68   1HB   GLU  10           HB2      GLU  10  -9.859 -13.467  -1.561
   69   2HB   GLU  10           HB3      GLU  10  -8.823 -13.345  -2.947
   70   1HG   GLU  10           HG2      GLU  10  -8.799 -15.610  -2.007
   71   2HG   GLU  10           HG3      GLU  10  -7.225 -14.809  -2.097
   72    H    GLU  11           H        GLU  11  -6.865 -12.422  -3.348
   73    HA   GLU  11           HA       GLU  11  -4.309 -13.285  -2.671
   74   1HB   GLU  11           HB2      GLU  11  -5.479 -11.657  -4.873
   75   2HB   GLU  11           HB3      GLU  11  -3.763 -11.461  -4.626
   76   1HG   GLU  11           HG2      GLU  11  -4.221 -13.240  -6.266
   77   2HG   GLU  11           HG3      GLU  11  -3.357 -13.854  -4.852
   78    H    ILE  12           H        ILE  12  -5.413  -9.881  -2.761
   79    HA   ILE  12           HA       ILE  12  -2.863  -8.896  -1.879
   80    HB   ILE  12           HB       ILE  12  -5.605  -7.576  -1.751
   81   1HG1  ILE  12          HG12      ILE  12  -3.560  -7.147  -3.965
   82   2HG1  ILE  12          HG13      ILE  12  -4.696  -8.458  -4.104
   83   1HG2  ILE  12          HG21      ILE  12  -3.785  -6.410  -0.433
   84   2HG2  ILE  12          HG22      ILE  12  -2.830  -6.331  -1.920
   85   3HG2  ILE  12          HG23      ILE  12  -4.360  -5.454  -1.799
   86   1HD1  ILE  12          HD11      ILE  12  -5.643  -6.600  -5.257
   87   2HD1  ILE  12          HD12      ILE  12  -6.592  -6.865  -3.797
   88   3HD1  ILE  12          HD13      ILE  12  -5.408  -5.535  -3.863
   89    H    GLN  13           H        GLN  13  -5.890  -9.682  -0.103
   90    HA   GLN  13           HA       GLN  13  -5.178  -8.681   2.387
   91   1HB   GLN  13           HB2      GLN  13  -7.043 -10.822   1.390
   92   2HB   GLN  13           HB3      GLN  13  -6.687 -10.771   3.101
   93   1HG   GLN  13           HG2      GLN  13  -7.597  -8.340   1.536
   94   2HG   GLN  13           HG3      GLN  13  -8.712  -9.442   2.374
   95   1HE2  GLN  13          HE21      GLN  13  -9.061  -7.000   3.246
   96   2HE2  GLN  13          HE22      GLN  13  -8.225  -6.711   4.764
   97    H    LYS  14           H        LYS  14  -4.415 -11.925   1.029
   98    HA   LYS  14           HA       LYS  14  -3.204 -12.938   3.381
   99   1HB   LYS  14           HB2      LYS  14  -2.631 -13.417   0.444
  100   2HB   LYS  14           HB3      LYS  14  -1.804 -14.311   1.734
  101   1HG   LYS  14           HG2      LYS  14  -3.878 -15.156   2.629
  102   2HG   LYS  14           HG3      LYS  14  -4.852 -14.167   1.546
  103   1HD   LYS  14           HD2      LYS  14  -2.935 -16.365   0.619
  104   2HD   LYS  14           HD3      LYS  14  -4.680 -16.541   0.883
  105   1HE   LYS  14           HE2      LYS  14  -4.756 -14.379  -0.716
  106   2HE   LYS  14           HE3      LYS  14  -3.237 -15.049  -1.321
  107   1HZ   LYS  14           HZ1      LYS  14  -5.879 -16.323  -1.137
  108   2HZ   LYS  14           HZ2      LYS  14  -5.169 -15.805  -2.538
  109   3HZ   LYS  14           HZ3      LYS  14  -4.544 -17.102  -1.748
  110    H    HIS  15           H        HIS  15  -2.025 -10.431   1.280
  111    HA   HIS  15           HA       HIS  15   0.739 -10.545   2.395
  112   1HB   HIS  15           HB2      HIS  15  -0.503  -8.880   0.192
  113   2HB   HIS  15           HB3      HIS  15   1.157  -8.745   0.773
  114    HD1  HIS  15           HD1      HIS  15   2.393  -9.556  -1.384
  115    HD2  HIS  15           HD2      HIS  15  -0.830 -12.002  -0.285
  116    HE1  HIS  15           HE1      HIS  15   2.505 -11.620  -2.864
  117    H    ASN  16           H        ASN  16  -0.672 -10.213   4.422
  118    HA   ASN  16           HA       ASN  16  -0.905  -7.317   5.074
  119   1HB   ASN  16           HB2      ASN  16  -2.775  -7.597   6.449
  120   2HB   ASN  16           HB3      ASN  16  -3.207  -8.255   4.889
  121   1HD2  ASN  16          HD21      ASN  16  -2.629 -10.799   4.861
  122   2HD2  ASN  16          HD22      ASN  16  -3.079 -11.729   6.274
  123    H    ASN  17           H        ASN  17   1.430  -8.214   5.428
  124    HA   ASN  17           HA       ASN  17   3.049  -8.225   7.073
  125   1HB   ASN  17           HB2      ASN  17   1.443  -6.833   8.475
  126   2HB   ASN  17           HB3      ASN  17   0.897  -8.331   9.214
  127   1HD2  ASN  17          HD21      ASN  17   1.577  -7.531  11.278
  128   2HD2  ASN  17          HD22      ASN  17   3.268  -7.650  11.719
  129    H    SER  18           H        SER  18   2.327 -10.460   5.741
  130    HA   SER  18           HA       SER  18   3.219 -12.519   7.667
  131   1HB   SER  18           HB2      SER  18   0.811 -12.864   7.577
  132   2HB   SER  18           HB3      SER  18   0.817 -12.944   5.814
  133    HG   SER  18           HG       SER  18   2.110 -14.837   5.997
  134    H    LYS  19           H        LYS  19   2.190 -12.779   4.222
  135    HA   LYS  19           HA       LYS  19   4.834 -13.760   3.589
  136   1HB   LYS  19           HB2      LYS  19   2.765 -14.581   2.545
  137   2HB   LYS  19           HB3      LYS  19   2.555 -13.054   1.682
  138   1HG   LYS  19           HG2      LYS  19   5.173 -14.606   1.494
  139   2HG   LYS  19           HG3      LYS  19   3.770 -15.170   0.604
  140   1HD   LYS  19           HD2      LYS  19   3.881 -13.618  -0.966
  141   2HD   LYS  19           HD3      LYS  19   4.156 -12.286   0.139
  142   1HE   LYS  19           HE2      LYS  19   6.374 -14.277  -0.556
  143   2HE   LYS  19           HE3      LYS  19   6.010 -12.889  -1.587
  144   1HZ   LYS  19           HZ1      LYS  19   7.760 -12.394   0.016
  145   2HZ   LYS  19           HZ2      LYS  19   6.438 -11.420   0.202
  146   3HZ   LYS  19           HZ3      LYS  19   6.694 -12.583   1.271
  147    H    SER  20           H        SER  20   3.020 -10.751   2.800
  148    HA   SER  20           HA       SER  20   5.460  -9.161   2.676
  149   1HB   SER  20           HB2      SER  20   3.521  -9.442   0.342
  150   2HB   SER  20           HB3      SER  20   4.738  -8.193   0.464
  151    HG   SER  20           HG       SER  20   5.619  -9.652  -0.791
  152    H    THR  21           H        THR  21   4.505  -6.868   1.985
  153    HA   THR  21           HA       THR  21   1.925  -6.300   3.360
  154    HB   THR  21           HB       THR  21   4.135  -4.272   2.895
  155    HG1  THR  21           HG1      THR  21   5.228  -5.908   3.779
  156   1HG2  THR  21          HG21      THR  21   1.858  -3.686   3.775
  157   2HG2  THR  21          HG22      THR  21   2.234  -4.704   5.202
  158   3HG2  THR  21          HG23      THR  21   3.172  -3.239   4.853
  159    H    TRP  22           H        TRP  22   0.521  -6.454   1.498
  160    HA   TRP  22           HA       TRP  22   1.061  -4.481  -0.669
  161   1HB   TRP  22           HB2      TRP  22  -0.770  -6.903  -0.645
  162   2HB   TRP  22           HB3      TRP  22  -0.679  -5.680  -1.890
  163    HD1  TRP  22           HD1      TRP  22   2.796  -6.285  -1.127
  164    HE1  TRP  22           HE1      TRP  22   3.879  -7.694  -2.880
  165    HE3  TRP  22           HE3      TRP  22  -1.441  -8.072  -3.377
  166    HZ2  TRP  22           HZ2      TRP  22   3.025  -9.497  -5.037
  167    HZ3  TRP  22           HZ3      TRP  22  -1.274  -9.680  -5.246
  168    HH2  TRP  22           HH2      TRP  22   0.949 -10.369  -6.115
  169    H    LEU  23           H        LEU  23  -1.043  -3.385  -1.381
  170    HA   LEU  23           HA       LEU  23  -3.351  -3.468   0.271
  171   1HB   LEU  23           HB2      LEU  23  -3.169  -1.079   1.152
  172   2HB   LEU  23           HB3      LEU  23  -2.268  -2.333   1.960
  173    HG   LEU  23           HG       LEU  23  -0.231  -1.600   0.480
  174   1HD1  LEU  23          HD11      LEU  23  -0.262   0.765  -0.160
  175   2HD1  LEU  23          HD12      LEU  23  -1.588  -0.042  -1.007
  176   3HD1  LEU  23          HD13      LEU  23  -1.913   0.917   0.457
  177   1HD2  LEU  23          HD21      LEU  23  -1.374   0.132   2.688
  178   2HD2  LEU  23          HD22      LEU  23  -0.322  -1.289   2.890
  179   3HD2  LEU  23          HD23      LEU  23   0.311   0.168   2.097
  180    H    ILE  24           H        ILE  24  -4.841  -1.584  -0.311
  181    HA   ILE  24           HA       ILE  24  -4.701  -1.195  -3.274
  182    HB   ILE  24           HB       ILE  24  -7.097  -1.678  -1.478
  183   1HG1  ILE  24          HG12      ILE  24  -6.218  -3.289  -3.904
  184   2HG1  ILE  24          HG13      ILE  24  -5.583  -3.639  -2.294
  185   1HG2  ILE  24          HG21      ILE  24  -6.922  -0.996  -4.450
  186   2HG2  ILE  24          HG22      ILE  24  -8.392  -1.597  -3.665
  187   3HG2  ILE  24          HG23      ILE  24  -7.739  -0.039  -3.196
  188   1HD1  ILE  24          HD11      ILE  24  -7.510  -5.081  -2.671
  189   2HD1  ILE  24          HD12      ILE  24  -7.876  -3.929  -1.388
  190   3HD1  ILE  24          HD13      ILE  24  -8.548  -3.692  -3.006
  191    H    LEU  25           H        LEU  25  -4.339   0.871  -3.769
  192    HA   LEU  25           HA       LEU  25  -5.776   3.059  -2.301
  193   1HB   LEU  25           HB2      LEU  25  -3.045   3.000  -3.567
  194   2HB   LEU  25           HB3      LEU  25  -3.973   4.463  -3.323
  195    HG   LEU  25           HG       LEU  25  -3.558   4.686  -1.204
  196   1HD1  LEU  25          HD11      LEU  25  -4.700   2.796  -0.443
  197   2HD1  LEU  25          HD12      LEU  25  -3.373   1.714  -0.926
  198   3HD1  LEU  25          HD13      LEU  25  -3.150   2.888   0.409
  199   1HD2  LEU  25          HD21      LEU  25  -1.366   4.577  -2.313
  200   2HD2  LEU  25          HD22      LEU  25  -1.245   4.006  -0.639
  201   3HD2  LEU  25          HD23      LEU  25  -1.249   2.836  -1.962
  202    H    HIS  26           H        HIS  26  -7.511   3.490  -3.555
  203    HA   HIS  26           HA       HIS  26  -8.802   3.950  -5.370
  204   1HB   HIS  26           HB2      HIS  26  -6.230   4.840  -6.713
  205   2HB   HIS  26           HB3      HIS  26  -7.875   5.337  -7.118
  206    HD1  HIS  26           HD1      HIS  26  -9.043   7.097  -5.355
  207    HD2  HIS  26           HD2      HIS  26  -5.053   5.978  -4.639
  208    HE1  HIS  26           HE1      HIS  26  -8.143   8.708  -3.603
  209    H    TYR  27           H        TYR  27  -8.355   1.337  -5.216
  210    HA   TYR  27           HA       TYR  27  -8.462  -0.632  -6.303
  211   1HB   TYR  27           HB2      TYR  27  -8.848   0.869  -8.898
  212   2HB   TYR  27           HB3      TYR  27  -9.391  -0.749  -8.475
  213    HD1  TYR  27           HD1      TYR  27 -10.745   2.164  -9.343
  214    HD2  TYR  27           HD2      TYR  27 -10.809  -0.506  -5.954
  215    HE1  TYR  27           HE1      TYR  27 -13.150   2.647  -8.994
  216    HE2  TYR  27           HE2      TYR  27 -13.222  -0.087  -5.671
  217    HH   TYR  27           HH       TYR  27 -15.111   0.913  -6.581
  218    H    LYS  28           H        LYS  28  -5.762   1.143  -6.494
  219    HA   LYS  28           HA       LYS  28  -4.400  -0.642  -8.473
  220   1HB   LYS  28           HB2      LYS  28  -3.688   2.076  -7.349
  221   2HB   LYS  28           HB3      LYS  28  -2.614   1.094  -8.336
  222   1HG   LYS  28           HG2      LYS  28  -5.242   1.325  -9.605
  223   2HG   LYS  28           HG3      LYS  28  -4.660   2.925  -9.133
  224   1HD   LYS  28           HD2      LYS  28  -2.533   2.525 -10.386
  225   2HD   LYS  28           HD3      LYS  28  -3.037   0.866 -10.717
  226   1HE   LYS  28           HE2      LYS  28  -3.442   2.131 -12.712
  227   2HE   LYS  28           HE3      LYS  28  -4.993   1.661 -12.005
  228   1HZ   LYS  28           HZ1      LYS  28  -3.763   4.314 -11.732
  229   2HZ   LYS  28           HZ2      LYS  28  -4.999   3.910 -12.744
  230   3HZ   LYS  28           HZ3      LYS  28  -5.224   3.849 -11.116
  231    H    VAL  29           H        VAL  29  -2.982  -2.153  -7.656
  232    HA   VAL  29           HA       VAL  29  -2.758  -2.281  -4.743
  233    HB   VAL  29           HB       VAL  29  -1.764  -4.325  -6.722
  234   1HG1  VAL  29          HG11      VAL  29  -2.854  -4.612  -3.887
  235   2HG1  VAL  29          HG12      VAL  29  -1.991  -5.828  -4.858
  236   3HG1  VAL  29          HG13      VAL  29  -1.132  -4.415  -4.229
  237   1HG2  VAL  29          HG21      VAL  29  -4.575  -3.954  -5.620
  238   2HG2  VAL  29          HG22      VAL  29  -4.070  -4.009  -7.323
  239   3HG2  VAL  29          HG23      VAL  29  -3.970  -5.463  -6.336
  240    H    TYR  30           H        TYR  30  -0.911  -1.926  -3.656
  241    HA   TYR  30           HA       TYR  30   1.609  -1.332  -5.172
  242   1HB   TYR  30           HB2      TYR  30   0.446  -0.090  -2.654
  243   2HB   TYR  30           HB3      TYR  30   2.053   0.250  -3.269
  244    HD1  TYR  30           HD1      TYR  30   2.321   1.407  -5.486
  245    HD2  TYR  30           HD2      TYR  30  -1.569   0.739  -3.789
  246    HE1  TYR  30           HE1      TYR  30   1.311   2.973  -7.151
  247    HE2  TYR  30           HE2      TYR  30  -2.556   2.230  -5.489
  248    HH   TYR  30           HH       TYR  30  -2.158   3.757  -7.132
  249    H    ASP  31           H        ASP  31   3.349  -2.567  -4.584
  250    HA   ASP  31           HA       ASP  31   3.262  -4.047  -1.970
  251   1HB   ASP  31           HB2      ASP  31   3.783  -5.471  -3.948
  252   2HB   ASP  31           HB3      ASP  31   5.205  -4.471  -4.271
  253    H    LEU  32           H        LEU  32   4.224  -2.894  -0.400
  254    HA   LEU  32           HA       LEU  32   6.583  -1.207  -1.079
  255   1HB   LEU  32           HB2      LEU  32   4.661  -0.603   1.127
  256   2HB   LEU  32           HB3      LEU  32   5.883   0.454   0.513
  257    HG   LEU  32           HG       LEU  32   3.937  -0.237  -1.621
  258   1HD1  LEU  32          HD11      LEU  32   2.491  -0.239   0.451
  259   2HD1  LEU  32          HD12      LEU  32   2.934   1.472   0.652
  260   3HD1  LEU  32          HD13      LEU  32   2.065   0.916  -0.803
  261   1HD2  LEU  32          HD21      LEU  32   4.204   2.035  -2.182
  262   2HD2  LEU  32          HD22      LEU  32   4.847   2.449  -0.571
  263   3HD2  LEU  32          HD23      LEU  32   5.795   1.450  -1.687
  264    H    THR  33           H        THR  33   6.189  -4.070  -0.217
  265    HA   THR  33           HA       THR  33   6.574  -4.257   2.583
  266    HB   THR  33           HB       THR  33   5.767  -5.937   0.750
  267    HG1  THR  33           HG1      THR  33   7.227  -6.801   3.002
  268   1HG2  THR  33          HG21      THR  33   8.634  -6.912   1.085
  269   2HG2  THR  33          HG22      THR  33   7.299  -7.735   0.258
  270   3HG2  THR  33          HG23      THR  33   7.939  -6.226  -0.403
  271    H    LYS  34           H        LYS  34   8.851  -3.824  -0.075
  272    HA   LYS  34           HA       LYS  34  11.167  -4.025   1.757
  273   1HB   LYS  34           HB2      LYS  34  11.126  -5.032  -0.615
  274   2HB   LYS  34           HB3      LYS  34  11.140  -3.368  -1.206
  275   1HG   LYS  34           HG2      LYS  34  13.186  -3.522   0.779
  276   2HG   LYS  34           HG3      LYS  34  13.272  -5.049  -0.052
  277   1HD   LYS  34           HD2      LYS  34  14.238  -4.153  -1.884
  278   2HD   LYS  34           HD3      LYS  34  13.112  -2.804  -1.993
  279   1HE   LYS  34           HE2      LYS  34  15.404  -2.907   0.020
  280   2HE   LYS  34           HE3      LYS  34  15.562  -2.180  -1.583
  281   1HZ   LYS  34           HZ1      LYS  34  13.487  -1.277   0.311
  282   2HZ   LYS  34           HZ2      LYS  34  14.961  -0.638   0.343
  283   3HZ   LYS  34           HZ3      LYS  34  14.034  -0.470  -0.976
  284    H    PHE  35           H        PHE  35   8.904  -1.812   1.709
  285    HA   PHE  35           HA       PHE  35  10.796   0.491   1.644
  286   1HB   PHE  35           HB2      PHE  35   8.897   0.161  -0.263
  287   2HB   PHE  35           HB3      PHE  35   7.910   0.803   0.983
  288    HD1  PHE  35           HD1      PHE  35  11.351   1.640  -0.272
  289    HD2  PHE  35           HD2      PHE  35   7.416   3.090   0.711
  290    HE1  PHE  35           HE1      PHE  35  12.138   3.956  -0.583
  291    HE2  PHE  35           HE2      PHE  35   8.180   5.413   0.309
  292    HZ   PHE  35           HZ       PHE  35  10.551   5.859  -0.309
  293    H    LEU  36           H        LEU  36   9.401  -1.442   3.734
  294    HA   LEU  36           HA       LEU  36   7.489   0.154   5.114
  295   1HB   LEU  36           HB2      LEU  36   9.271  -2.134   6.058
  296   2HB   LEU  36           HB3      LEU  36   7.897  -1.500   6.969
  297    HG   LEU  36           HG       LEU  36   7.658  -2.660   4.154
  298   1HD1  LEU  36          HD11      LEU  36   7.109  -3.891   6.879
  299   2HD1  LEU  36          HD12      LEU  36   6.753  -4.641   5.301
  300   3HD1  LEU  36          HD13      LEU  36   8.432  -4.356   5.785
  301   1HD2  LEU  36          HD21      LEU  36   5.272  -2.836   4.813
  302   2HD2  LEU  36          HD22      LEU  36   5.611  -1.827   6.242
  303   3HD2  LEU  36          HD23      LEU  36   5.813  -1.178   4.599
  304    H    GLU  37           H        GLU  37  10.830  -0.608   6.101
  305    HA   GLU  37           HA       GLU  37  11.042   1.379   8.124
  306   1HB   GLU  37           HB2      GLU  37  13.460   0.808   7.972
  307   2HB   GLU  37           HB3      GLU  37  12.410  -0.606   8.044
  308   1HG   GLU  37           HG2      GLU  37  12.638  -0.569   5.370
  309   2HG   GLU  37           HG3      GLU  37  14.057   0.413   5.733
  310    H    GLU  38           H        GLU  38  11.647   1.392   4.662
  311    HA   GLU  38           HA       GLU  38  13.128   3.823   4.520
  312   1HB   GLU  38           HB2      GLU  38  11.571   2.347   2.390
  313   2HB   GLU  38           HB3      GLU  38  12.844   3.506   2.088
  314   1HG   GLU  38           HG2      GLU  38  14.373   2.013   3.520
  315   2HG   GLU  38           HG3      GLU  38  13.131   0.764   3.401
  316    H    HIS  39           HN       HIS  39   9.692   3.053   4.144
  317    HA   HIS  39           HA       HIS  39   8.722   5.486   3.150
  318   1HB   HIS  39           HB2      HIS  39   7.341   3.555   3.144
  319   2HB   HIS  39           HB3      HIS  39   7.482   3.359   4.894
  320    HD1  HIS  39           HND      HIS  39   5.388   4.133   6.162
  321    HD2  HIS  39           HD       HIS  39   5.955   5.998   2.424
  322    HE1  HIS  39           HE       HIS  39   3.343   5.529   5.743
  323    HA   PRO  40           HA       PRO  40   9.487   7.784   7.030
  324   1HB   PRO  40           HB2      PRO  40   9.276  10.319   6.124
  325   2HB   PRO  40           HB3      PRO  40  10.626   9.264   5.622
  326   1HG   PRO  40           HG2      PRO  40   8.050   9.772   4.112
  327   2HG   PRO  40           HG3      PRO  40   9.718   9.927   3.486
  328   1HD   PRO  40           HD2      PRO  40   8.188   7.680   3.150
  329   2HD   PRO  40           HD3      PRO  40   9.962   7.582   3.369
  330    H    GLY  41           H        GLY  41   7.299   6.487   7.326
  331   1HA   GLY  41           HA1      GLY  41   5.362   8.327   8.444
  332   2HA   GLY  41           HA2      GLY  41   4.831   7.684   6.873
  333    H    GLY  42           H        GLY  42   6.696   5.990   9.401
  334   1HA   GLY  42           HA1      GLY  42   6.070   4.361  10.881
  335   2HA   GLY  42           HA2      GLY  42   4.382   4.613  10.463
  336    H    GLU  43           H        GLU  43   6.880   2.486  10.359
  337    HA   GLU  43           HA       GLU  43   6.250   0.873   8.016
  338   1HB   GLU  43           HB2      GLU  43   7.641  -0.769   9.043
  339   2HB   GLU  43           HB3      GLU  43   8.466   0.787   9.134
  340   1HG   GLU  43           HG2      GLU  43   7.106  -0.700  11.439
  341   2HG   GLU  43           HG3      GLU  43   8.825  -0.589  11.110
  342    H    ALA  44           H        ALA  44   5.543   1.040  11.486
  343    HA   ALA  44           HA       ALA  44   3.701  -1.064  11.768
  344   1HB   ALA  44           HB1      ALA  44   3.741   1.645  13.170
  345   2HB   ALA  44           HB2      ALA  44   2.877   0.195  13.728
  346   3HB   ALA  44           HB3      ALA  44   4.651   0.197  13.647
  347    H    VAL  45           H        VAL  45   3.080   2.357  10.923
  348    HA   VAL  45           HA       VAL  45   0.267   2.183  10.584
  349    HB   VAL  45           HB       VAL  45   2.408   4.023   9.476
  350   1HG1  VAL  45          HG11      VAL  45   0.712   4.183   7.833
  351   2HG1  VAL  45          HG12      VAL  45  -0.585   4.225   9.065
  352   3HG1  VAL  45          HG13      VAL  45   0.541   5.583   8.896
  353   1HG2  VAL  45          HG21      VAL  45   1.460   5.604  11.107
  354   2HG2  VAL  45          HG22      VAL  45   0.225   4.416  11.571
  355   3HG2  VAL  45          HG23      VAL  45   1.937   4.112  11.930
  356    H    LEU  46           H        LEU  46   2.893   1.944   8.074
  357    HA   LEU  46           HA       LEU  46   1.132   1.227   5.992
  358   1HB   LEU  46           HB2      LEU  46   4.059   0.903   6.515
  359   2HB   LEU  46           HB3      LEU  46   3.386  -0.246   5.363
  360    HG   LEU  46           HG       LEU  46   3.070   2.764   5.101
  361   1HD1  LEU  46          HD11      LEU  46   4.916   0.820   3.624
  362   2HD1  LEU  46          HD12      LEU  46   4.768   2.558   3.319
  363   3HD1  LEU  46          HD13      LEU  46   5.441   1.978   4.859
  364   1HD2  LEU  46          HD21      LEU  46   2.419   2.205   2.772
  365   2HD2  LEU  46          HD22      LEU  46   2.519   0.472   3.151
  366   3HD2  LEU  46          HD23      LEU  46   1.277   1.491   3.900
  367    H    ARG  47           H        ARG  47   2.520  -0.801   8.550
  368    HA   ARG  47           HA       ARG  47   1.742  -3.309   7.396
  369   1HB   ARG  47           HB2      ARG  47   2.987  -2.389   9.889
  370   2HB   ARG  47           HB3      ARG  47   1.734  -3.580  10.224
  371   1HG   ARG  47           HG2      ARG  47   3.794  -4.758   9.878
  372   2HG   ARG  47           HG3      ARG  47   2.691  -5.076   8.535
  373   1HD   ARG  47           HD2      ARG  47   3.985  -3.032   7.398
  374   2HD   ARG  47           HD3      ARG  47   5.254  -3.470   8.516
  375    HE   ARG  47           HE       ARG  47   4.417  -4.849   6.090
  376   1HH1  ARG  47          HH11      ARG  47   5.922  -7.911   6.640
  377   2HH1  ARG  47          HH12      ARG  47   5.032  -6.840   5.555
  378   1HH2  ARG  47          HH21      ARG  47   6.137  -7.132   8.937
  379   2HH2  ARG  47          HH22      ARG  47   5.865  -5.445   9.238
  380    H    ALA  48           H        ALA  48   0.234  -1.084   9.733
  381    HA   ALA  48           HA       ALA  48  -2.059  -2.581  10.391
  382   1HB   ALA  48           HB1      ALA  48  -1.205  -0.594  11.588
  383   2HB   ALA  48           HB2      ALA  48  -1.665   0.436  10.226
  384   3HB   ALA  48           HB3      ALA  48  -2.926  -0.405  11.161
  385    H    GLN  49           H        GLN  49  -1.516  -0.198   7.758
  386    HA   GLN  49           HA       GLN  49  -4.185  -0.545   6.632
  387   1HB   GLN  49           HB2      GLN  49  -1.633   0.943   6.033
  388   2HB   GLN  49           HB3      GLN  49  -2.823   0.760   4.750
  389   1HG   GLN  49           HG2      GLN  49  -3.250   2.833   5.884
  390   2HG   GLN  49           HG3      GLN  49  -4.597   1.724   6.121
  391   1HE2  GLN  49          HE21      GLN  49  -4.865   0.713   8.291
  392   2HE2  GLN  49          HE22      GLN  49  -4.213   1.578   9.670
  393    H    ALA  50           H        ALA  50  -1.374  -2.474   6.465
  394    HA   ALA  50           HA       ALA  50  -1.442  -3.284   3.778
  395   1HB   ALA  50           HB1      ALA  50  -0.806  -5.131   6.093
  396   2HB   ALA  50           HB2      ALA  50  -0.156  -5.160   4.436
  397   3HB   ALA  50           HB3      ALA  50   0.265  -3.826   5.541
  398    H    GLY  51           H        GLY  51  -2.463  -4.976   2.684
  399   1HA   GLY  51           HA1      GLY  51  -3.630  -7.061   2.742
  400   2HA   GLY  51           HA2      GLY  51  -4.678  -6.479   4.045
  401    H    GLY  52           H        GLY  52  -5.058  -3.752   2.765
  402   1HA   GLY  52           HA1      GLY  52  -6.141  -3.766   0.251
  403   2HA   GLY  52           HA2      GLY  52  -7.391  -4.555   1.249
  404    H    ASP  53           H        ASP  53  -8.710  -2.695   0.830
  405    HA   ASP  53           HA       ASP  53  -8.838  -0.290   0.673
  406   1HB   ASP  53           HB2      ASP  53 -10.793  -1.475   1.539
  407   2HB   ASP  53           HB3      ASP  53 -10.143  -1.362   3.186
  408    H    ALA  54           H        ALA  54  -6.731   0.594   0.923
  409    HA   ALA  54           HA       ALA  54  -6.498   2.067   3.529
  410   1HB   ALA  54           HB1      ALA  54  -4.258   1.151   1.697
  411   2HB   ALA  54           HB2      ALA  54  -4.095   2.194   3.134
  412   3HB   ALA  54           HB3      ALA  54  -4.637   0.502   3.305
  413    H    THR  55           H        THR  55  -7.945   2.471   0.803
  414    HA   THR  55           HA       THR  55  -6.469   4.566  -0.527
  415    HB   THR  55           HB       THR  55  -9.446   3.881  -0.593
  416    HG1  THR  55           HG1      THR  55  -7.689   2.290  -1.299
  417   1HG2  THR  55          HG21      THR  55  -7.645   5.484  -2.461
  418   2HG2  THR  55          HG22      THR  55  -9.327   5.025  -2.818
  419   3HG2  THR  55          HG23      THR  55  -8.976   6.148  -1.490
  420    H    ALA  56           H        ALA  56  -9.261   4.560   1.748
  421    HA   ALA  56           HA       ALA  56  -9.435   7.349   2.119
  422   1HB   ALA  56           HB1      ALA  56 -10.031   5.101   4.097
  423   2HB   ALA  56           HB2      ALA  56 -10.588   6.784   4.229
  424   3HB   ALA  56           HB3      ALA  56 -11.149   5.767   2.887
  425    H    ASN  57           H        ASN  57  -7.600   4.937   4.025
  426    HA   ASN  57           HA       ASN  57  -6.435   6.695   5.889
  427   1HB   ASN  57           HB2      ASN  57  -5.441   4.037   4.768
  428   2HB   ASN  57           HB3      ASN  57  -4.676   4.906   6.101
  429   1HD2  ASN  57          HD21      ASN  57  -7.319   2.716   5.318
  430   2HD2  ASN  57          HD22      ASN  57  -7.989   2.742   6.926
  431    H    PHE  58           H        PHE  58  -5.081   5.549   2.753
  432    HA   PHE  58           HA       PHE  58  -2.681   7.024   2.799
  433   1HB   PHE  58           HB2      PHE  58  -3.154   5.290   1.170
  434   2HB   PHE  58           HB3      PHE  58  -4.484   6.218   0.490
  435    HD1  PHE  58           HD1      PHE  58  -4.107   7.975  -1.151
  436    HD2  PHE  58           HD2      PHE  58  -0.782   6.195   0.940
  437    HE1  PHE  58           HE1      PHE  58  -2.559   9.045  -2.713
  438    HE2  PHE  58           HE2      PHE  58   0.786   7.239  -0.679
  439    HZ   PHE  58           HZ       PHE  58  -0.097   8.646  -2.528
  440    H    GLU  59           H        GLU  59  -5.840   7.959   1.305
  441    HA   GLU  59           HA       GLU  59  -5.045  10.547   0.507
  442   1HB   GLU  59           HB2      GLU  59  -7.762   9.406   1.218
  443   2HB   GLU  59           HB3      GLU  59  -7.527  10.986   0.452
  444   1HG   GLU  59           HG2      GLU  59  -6.504   8.397  -0.806
  445   2HG   GLU  59           HG3      GLU  59  -8.090   9.097  -1.126
  446    H    ALA  60           H        ALA  60  -6.425   9.414   3.592
  447    HA   ALA  60           HA       ALA  60  -6.963  11.880   4.792
  448   1HB   ALA  60           HB1      ALA  60  -7.616   9.672   5.713
  449   2HB   ALA  60           HB2      ALA  60  -5.929   9.349   6.141
  450   3HB   ALA  60           HB3      ALA  60  -6.796  10.684   6.919
  451    H    VAL  61           H        VAL  61  -3.831  10.260   4.358
  452    HA   VAL  61           HA       VAL  61  -2.371  12.154   6.060
  453    HB   VAL  61           HB       VAL  61  -1.570   9.936   4.163
  454   1HG1  VAL  61          HG11      VAL  61   0.320  11.466   4.143
  455   2HG1  VAL  61          HG12      VAL  61   0.233  11.650   5.915
  456   3HG1  VAL  61          HG13      VAL  61   0.693  10.107   5.173
  457   1HG2  VAL  61          HG21      VAL  61  -0.982   8.739   6.206
  458   2HG2  VAL  61          HG22      VAL  61  -1.466  10.132   7.195
  459   3HG2  VAL  61          HG23      VAL  61  -2.677   9.222   6.269
  460    H    GLY  62           H        GLY  62  -3.692  12.337   2.883
  461   1HA   GLY  62           HA1      GLY  62  -3.572  14.142   1.465
  462   2HA   GLY  62           HA2      GLY  62  -2.150  14.781   2.299
  463    H    HIS  63           HN       HIS  63  -0.199  13.209   2.167
  464    HA   HIS  63           HA       HIS  63   1.479  12.361   0.937
  465   1HB   HIS  63           HB2      HIS  63  -0.801  10.901  -0.417
  466   2HB   HIS  63           HB3      HIS  63   0.867  10.719  -0.933
  467    HD1  HIS  63           HND      HIS  63  -1.428   9.572   1.851
  468    HD2  HIS  63           HD       HIS  63   2.649   9.676   0.802
  469    HE1  HIS  63           HE       HIS  63  -0.251   7.904   3.352
  470    H    SER  64           H        SER  64   2.705  13.745  -0.073
  471    HA   SER  64           HA       SER  64   1.822  15.740  -1.829
  472   1HB   SER  64           HB2      SER  64   4.639  14.607  -1.493
  473   2HB   SER  64           HB3      SER  64   4.221  16.213  -2.122
  474    HG   SER  64           HG       SER  64   3.890  15.165   0.486
  475    H    THR  65           H        THR  65   2.797  16.170  -4.058
  476    HA   THR  65           HA       THR  65   1.925  14.453  -6.068
  477    HB   THR  65           HB       THR  65   3.925  15.853  -7.264
  478    HG1  THR  65           HG1      THR  65   5.036  16.659  -5.477
  479   1HG2  THR  65          HG21      THR  65   1.516  16.359  -7.524
  480   2HG2  THR  65          HG22      THR  65   1.516  17.199  -5.956
  481   3HG2  THR  65          HG23      THR  65   2.464  17.844  -7.311
  482    H    ASP  66           H        ASP  66   5.268  14.962  -4.967
  483    HA   ASP  66           HA       ASP  66   6.608  13.041  -6.277
  484   1HB   ASP  66           HB2      ASP  66   6.831  14.025  -3.362
  485   2HB   ASP  66           HB3      ASP  66   8.120  13.294  -4.297
  486    H    ALA  67           H        ALA  67   4.887  12.622  -3.184
  487    HA   ALA  67           HA       ALA  67   5.444   9.847  -2.868
  488   1HB   ALA  67           HB1      ALA  67   3.000  11.324  -1.843
  489   2HB   ALA  67           HB2      ALA  67   3.648   9.780  -1.280
  490   3HB   ALA  67           HB3      ALA  67   4.581  11.274  -1.043
  491    H    ARG  68           H        ARG  68   2.625  11.476  -4.471
  492    HA   ARG  68           HA       ARG  68   1.388   8.900  -5.074
  493   1HB   ARG  68           HB2      ARG  68  -0.345  10.165  -6.126
  494   2HB   ARG  68           HB3      ARG  68   0.072  10.782  -4.507
  495   1HG   ARG  68           HG2      ARG  68  -0.360  12.708  -5.632
  496   2HG   ARG  68           HG3      ARG  68   1.361  12.535  -5.603
  497   1HD   ARG  68           HD2      ARG  68   1.106  13.143  -7.804
  498   2HD   ARG  68           HD3      ARG  68   0.869  11.415  -8.050
  499    HE   ARG  68           HE       ARG  68  -1.644  12.427  -7.410
  500   1HH1  ARG  68          HH11      ARG  68  -2.618  13.985 -10.417
  501   2HH1  ARG  68          HH12      ARG  68  -3.116  13.517  -8.823
  502   1HH2  ARG  68          HH21      ARG  68  -0.352  13.655 -11.087
  503   2HH2  ARG  68          HH22      ARG  68   0.693  12.732 -10.053
  504    H    GLU  69           H        GLU  69   3.779  10.789  -6.584
  505    HA   GLU  69           HA       GLU  69   3.664   9.270  -9.097
  506   1HB   GLU  69           HB2      GLU  69   5.586  11.219  -7.888
  507   2HB   GLU  69           HB3      GLU  69   5.808  10.500  -9.475
  508   1HG   GLU  69           HG2      GLU  69   3.602  12.411  -8.578
  509   2HG   GLU  69           HG3      GLU  69   4.814  12.663  -9.811
  510    H    LEU  70           H        LEU  70   5.790   9.385  -6.278
  511    HA   LEU  70           HA       LEU  70   7.489   7.335  -6.794
  512   1HB   LEU  70           HB2      LEU  70   7.676   8.878  -4.954
  513   2HB   LEU  70           HB3      LEU  70   6.267   8.165  -4.174
  514    HG   LEU  70           HG       LEU  70   7.321   6.372  -3.333
  515   1HD1  LEU  70          HD11      LEU  70   8.179   5.466  -5.228
  516   2HD1  LEU  70          HD12      LEU  70   9.314   6.809  -5.528
  517   3HD1  LEU  70          HD13      LEU  70   9.603   5.661  -4.181
  518   1HD2  LEU  70          HD21      LEU  70   9.517   8.487  -3.465
  519   2HD2  LEU  70          HD22      LEU  70   8.158   8.498  -2.320
  520   3HD2  LEU  70          HD23      LEU  70   9.364   7.197  -2.256
  521    H    SER  71           H        SER  71   4.514   7.012  -5.013
  522    HA   SER  71           HA       SER  71   3.963   4.373  -4.670
  523   1HB   SER  71           HB2      SER  71   1.609   4.875  -5.146
  524   2HB   SER  71           HB3      SER  71   2.394   6.191  -4.246
  525    HG   SER  71           HG       SER  71   1.659   6.134  -6.966
  526    H    LYS  72           H        LYS  72   3.878   5.900  -7.948
  527    HA   LYS  72           HA       LYS  72   2.733   3.635  -9.235
  528   1HB   LYS  72           HB2      LYS  72   4.492   5.767 -10.473
  529   2HB   LYS  72           HB3      LYS  72   3.445   4.615 -11.315
  530   1HG   LYS  72           HG2      LYS  72   1.479   5.551  -9.990
  531   2HG   LYS  72           HG3      LYS  72   2.575   6.816  -9.402
  532   1HD   LYS  72           HD2      LYS  72   3.058   7.395 -11.839
  533   2HD   LYS  72           HD3      LYS  72   1.820   6.224 -12.305
  534   1HE   LYS  72           HE2      LYS  72   0.842   8.433 -12.333
  535   2HE   LYS  72           HE3      LYS  72   0.115   7.552 -10.975
  536   1HZ   LYS  72           HZ1      LYS  72   1.537   8.801  -9.474
  537   2HZ   LYS  72           HZ2      LYS  72   2.429   9.352 -10.754
  538   3HZ   LYS  72           HZ3      LYS  72   0.982   9.941 -10.525
  539    H    THR  73           H        THR  73   6.082   4.409  -8.354
  540    HA   THR  73           HA       THR  73   7.387   2.415  -9.930
  541    HB   THR  73           HB       THR  73   8.283   3.654  -7.291
  542    HG1  THR  73           HG1      THR  73   8.300   4.694  -9.930
  543   1HG2  THR  73          HG21      THR  73  10.532   3.545  -8.323
  544   2HG2  THR  73          HG22      THR  73   9.829   1.940  -8.089
  545   3HG2  THR  73          HG23      THR  73   9.853   2.670  -9.713
  546    H    PHE  74           H        PHE  74   5.324   2.159  -7.201
  547    HA   PHE  74           HA       PHE  74   6.400  -0.514  -6.405
  548   1HB   PHE  74           HB2      PHE  74   4.745   1.541  -4.878
  549   2HB   PHE  74           HB3      PHE  74   5.093  -0.081  -4.318
  550    HD1  PHE  74           HD1      PHE  74   6.270   3.300  -4.289
  551    HD2  PHE  74           HD2      PHE  74   7.582  -0.812  -4.186
  552    HE1  PHE  74           HE1      PHE  74   8.319   3.966  -3.045
  553    HE2  PHE  74           HE2      PHE  74   9.703  -0.104  -3.112
  554    HZ   PHE  74           HZ       PHE  74  10.052   2.280  -2.534
  555    H    ILE  75           H        ILE  75   4.199   0.907  -8.446
  556    HA   ILE  75           HA       ILE  75   1.839  -0.519  -7.624
  557    HB   ILE  75           HB       ILE  75   2.244   1.558  -9.230
  558   1HG1  ILE  75          HG12      ILE  75   0.124   0.822  -8.251
  559   2HG1  ILE  75          HG13      ILE  75  -0.006   1.512  -9.867
  560   1HG2  ILE  75          HG21      ILE  75   1.794   1.038 -11.582
  561   2HG2  ILE  75          HG22      ILE  75   3.333   0.326 -11.070
  562   3HG2  ILE  75          HG23      ILE  75   1.906  -0.702 -11.240
  563   1HD1  ILE  75          HD11      ILE  75  -0.272  -0.706 -10.842
  564   2HD1  ILE  75          HD12      ILE  75   0.073  -1.415  -9.243
  565   3HD1  ILE  75          HD13      ILE  75  -1.415  -0.491  -9.503
  566    H    ILE  76           H        ILE  76   1.405  -2.607  -7.912
  567    HA   ILE  76           HA       ILE  76   3.314  -4.282  -9.550
  568    HB   ILE  76           HB       ILE  76   2.471  -6.136  -8.091
  569   1HG1  ILE  76          HG12      ILE  76   1.544  -3.934  -6.184
  570   2HG1  ILE  76          HG13      ILE  76   0.428  -4.728  -7.291
  571   1HG2  ILE  76          HG21      ILE  76   3.944  -3.888  -6.653
  572   2HG2  ILE  76          HG22      ILE  76   4.051  -5.628  -6.315
  573   3HG2  ILE  76          HG23      ILE  76   4.677  -4.991  -7.832
  574   1HD1  ILE  76          HD11      ILE  76   0.953  -6.907  -6.346
  575   2HD1  ILE  76          HD12      ILE  76   2.137  -6.158  -5.253
  576   3HD1  ILE  76          HD13      ILE  76   0.422  -5.770  -5.091
  577    H    GLY  77           H        GLY  77  -0.029  -3.309  -9.180
  578   1HA   GLY  77           HA1      GLY  77  -0.968  -3.963 -11.663
  579   2HA   GLY  77           HA2      GLY  77  -1.175  -5.436 -10.685
  580    H    GLU  78           H        GLU  78  -3.453  -4.934 -11.026
  581    HA   GLU  78           HA       GLU  78  -4.522  -2.655  -9.434
  582   1HB   GLU  78           HB2      GLU  78  -5.200  -3.641 -12.226
  583   2HB   GLU  78           HB3      GLU  78  -6.271  -2.610 -11.272
  584   1HG   GLU  78           HG2      GLU  78  -4.506  -0.908 -11.100
  585   2HG   GLU  78           HG3      GLU  78  -3.420  -1.910 -12.084
  586    H    LEU  79           H        LEU  79  -6.747  -2.898  -8.840
  587    HA   LEU  79           HA       LEU  79  -7.192  -5.374  -7.495
  588   1HB   LEU  79           HB2      LEU  79  -7.995  -3.205  -6.678
  589   2HB   LEU  79           HB3      LEU  79  -8.980  -3.011  -8.140
  590    HG   LEU  79           HG       LEU  79 -10.343  -4.996  -7.492
  591   1HD1  LEU  79          HD11      LEU  79 -10.136  -5.766  -5.085
  592   2HD1  LEU  79          HD12      LEU  79  -8.796  -6.293  -6.110
  593   3HD1  LEU  79          HD13      LEU  79  -8.576  -4.918  -5.011
  594   1HD2  LEU  79          HD21      LEU  79 -10.896  -2.666  -6.928
  595   2HD2  LEU  79          HD22      LEU  79 -11.547  -3.860  -5.808
  596   3HD2  LEU  79          HD23      LEU  79 -10.131  -2.893  -5.330
  597    H    HIS  80           H        HIS  80  -8.313  -7.146  -8.152
  598    HA   HIS  80           HA       HIS  80  -8.932  -7.666 -10.823
  599   1HB   HIS  80           HB2      HIS  80  -8.664  -9.258  -8.824
  600   2HB   HIS  80           HB3      HIS  80 -10.383  -9.022  -8.527
  601    HD1  HIS  80           HD1      HIS  80 -11.956 -10.418 -10.215
  602    HD2  HIS  80           HD2      HIS  80  -7.838 -10.523 -11.039
  603    HE1  HIS  80           HE1      HIS  80 -11.646 -12.126 -12.046
  604    HA   PRO  81           HA       PRO  81 -12.661  -5.337 -11.367
  605   1HB   PRO  81           HB2      PRO  81 -13.681  -6.491 -13.640
  606   2HB   PRO  81           HB3      PRO  81 -12.273  -5.389 -13.609
  607   1HG   PRO  81           HG2      PRO  81 -12.234  -8.425 -13.589
  608   2HG   PRO  81           HG3      PRO  81 -11.309  -7.332 -14.665
  609   1HD   PRO  81           HD2      PRO  81 -10.205  -8.399 -12.480
  610   2HD   PRO  81           HD3      PRO  81  -9.870  -6.688 -12.882
  611    H    ASP  82           H        ASP  82 -12.586  -8.623 -10.429
  612    HA   ASP  82           HA       ASP  82 -15.453  -9.150 -10.448
  613   1HB   ASP  82           HB2      ASP  82 -13.796 -10.976 -10.427
  614   2HB   ASP  82           HB3      ASP  82 -13.226 -10.428  -8.807
  615    H    ASP  83           H        ASP  83 -13.099  -7.674  -8.237
  616    HA   ASP  83           HA       ASP  83 -14.790  -7.635  -5.894
  617   1HB   ASP  83           HB2      ASP  83 -12.361  -7.566  -5.774
  618   2HB   ASP  83           HB3      ASP  83 -12.333  -6.045  -6.678
  619    H    ARG  84           H        ARG  84 -14.104  -5.462  -8.528
  620    HA   ARG  84           HA       ARG  84 -14.822  -3.033  -7.548
  621   1HB   ARG  84           HB2      ARG  84 -14.012  -4.060 -10.033
  622   2HB   ARG  84           HB3      ARG  84 -15.595  -3.396 -10.394
  623   1HG   ARG  84           HG2      ARG  84 -14.121  -1.621 -10.804
  624   2HG   ARG  84           HG3      ARG  84 -14.812  -1.255  -9.220
  625   1HD   ARG  84           HD2      ARG  84 -12.429  -0.870  -9.040
  626   2HD   ARG  84           HD3      ARG  84 -12.799  -2.326  -8.142
  627    HE   ARG  84           HE       ARG  84 -11.528  -3.594  -9.583
  628   1HH1  ARG  84          HH11      ARG  84  -9.575  -2.533 -12.342
  629   2HH1  ARG  84          HH12      ARG  84  -9.735  -3.723 -11.093
  630   1HH2  ARG  84          HH21      ARG  84 -11.006  -0.635 -12.341
  631   2HH2  ARG  84          HH22      ARG  84 -12.251  -0.534 -11.128
  632    HHA  HEM 201           HGM      HEM 201   4.866  10.965   5.069
  633    HHB  HEM 201           HDM      HEM 201   5.718   7.926  -0.548
  634    HHC  HEM 201           HAM      HEM 201   0.917   3.886   0.897
  635    HHD  HEM 201           HBM      HEM 201   0.429   6.600   6.762
  636   1HMA  HEM 201          HM81      HEM 201   7.485  11.150   0.437
  637   2HMA  HEM 201          HM82      HEM 201   7.942   9.440   0.392
  638   3HMA  HEM 201          HM83      HEM 201   6.647  10.066  -0.653
  639   1HAA  HEM 201          HAA1      HEM 201   6.760  11.780   4.013
  640   2HAA  HEM 201          HAA2      HEM 201   7.335  12.047   2.383
  641   1HBA  HEM 201          HBA1      HEM 201   5.947  13.910   3.165
  642   2HBA  HEM 201          HBA2      HEM 201   4.582  12.819   3.430
  643   1HMB  HEM 201          HM11      HEM 201   5.895   5.726  -1.753
  644   2HMB  HEM 201          HM12      HEM 201   4.636   4.884  -2.640
  645   3HMB  HEM 201          HM13      HEM 201   4.733   6.655  -2.725
  646    HAB  HEM 201          HT2A      HEM 201   2.370   3.004  -1.244
  647   1HBB  HEM 201          HV2C      HEM 201   1.048   5.409  -2.510
  648   2HBB  HEM 201          HV2T      HEM 201   0.901   3.601  -2.975
  649   1HMC  HEM 201          HM31      HEM 201  -1.081   2.456   3.757
  650   2HMC  HEM 201          HM32      HEM 201  -1.933   3.608   2.714
  651   3HMC  HEM 201          HM33      HEM 201  -0.546   2.690   2.089
  652    HAC  HEM 201          HT4A      HEM 201  -1.009   3.678   6.348
  653   1HBC  HEM 201          HV4C      HEM 201  -2.199   6.387   5.543
  654   2HBC  HEM 201          HV4T      HEM 201  -2.489   5.430   7.121
  655   1HMD  HEM 201          HM51      HEM 201   1.788   7.634   8.853
  656   2HMD  HEM 201          HM52      HEM 201   1.758   9.389   9.061
  657   3HMD  HEM 201          HM53      HEM 201   0.391   8.581   8.288
  658   1HAD  HEM 201          HAD1      HEM 201   3.860  10.225   8.571
  659   2HAD  HEM 201          HAD2      HEM 201   4.573  11.111   7.253
  660   1HBD  HEM 201          HBD1      HEM 201   2.791  12.576   7.092
  661   2HBD  HEM 201          HBD2      HEM 201   1.697  11.498   7.964
  Start of MODEL   10
    1   1H    ALA   3           H1       ALA   3   2.011  -3.945 -19.597
    2   2H    ALA   3           H2       ALA   3   3.515  -4.458 -19.244
    3   3H    ALA   3           H3       ALA   3   2.890  -4.736 -20.762
    4    HA   ALA   3           HA       ALA   3   1.323  -6.269 -19.907
    5   1HB   ALA   3           HB1      ALA   3   4.003  -6.757 -18.512
    6   2HB   ALA   3           HB2      ALA   3   2.781  -7.980 -18.911
    7   3HB   ALA   3           HB3      ALA   3   3.664  -7.154 -20.210
    8    H    VAL   4           H        VAL   4  -0.082  -6.823 -18.108
    9    HA   VAL   4           HA       VAL   4   0.544  -5.749 -15.488
   10    HB   VAL   4           HB       VAL   4  -0.333  -3.802 -16.828
   11   1HG1  VAL   4          HG11      VAL   4  -2.689  -3.646 -17.396
   12   2HG1  VAL   4          HG12      VAL   4  -1.986  -5.032 -18.248
   13   3HG1  VAL   4          HG13      VAL   4  -2.999  -5.287 -16.811
   14   1HG2  VAL   4          HG21      VAL   4  -0.583  -4.098 -14.295
   15   2HG2  VAL   4          HG22      VAL   4  -1.610  -2.904 -15.102
   16   3HG2  VAL   4          HG23      VAL   4  -2.292  -4.469 -14.622
   17    H    LYS   5           H        LYS   5  -1.066  -6.483 -13.919
   18    HA   LYS   5           HA       LYS   5  -2.968  -8.511 -14.767
   19   1HB   LYS   5           HB2      LYS   5  -2.183 -10.144 -13.133
   20   2HB   LYS   5           HB3      LYS   5  -0.967  -9.897 -14.381
   21   1HG   LYS   5           HG2      LYS   5  -0.656  -8.152 -11.966
   22   2HG   LYS   5           HG3      LYS   5  -0.536  -9.866 -11.634
   23   1HD   LYS   5           HD2      LYS   5   1.078  -8.559 -13.863
   24   2HD   LYS   5           HD3      LYS   5   1.588  -8.520 -12.164
   25   1HE   LYS   5           HE2      LYS   5   1.401 -11.050 -12.099
   26   2HE   LYS   5           HE3      LYS   5   1.130 -11.034 -13.847
   27   1HZ   LYS   5           HZ1      LYS   5   3.314 -10.961 -14.079
   28   2HZ   LYS   5           HZ2      LYS   5   3.419  -9.539 -13.256
   29   3HZ   LYS   5           HZ3      LYS   5   3.524 -10.965 -12.450
   30    H    TYR   6           H        TYR   6  -4.399  -8.990 -12.779
   31    HA   TYR   6           HA       TYR   6  -4.455  -6.651 -10.988
   32   1HB   TYR   6           HB2      TYR   6  -6.833  -8.190 -12.093
   33   2HB   TYR   6           HB3      TYR   6  -6.788  -6.728 -11.104
   34    HD1  TYR   6           HD1      TYR   6  -6.019  -8.084 -14.504
   35    HD2  TYR   6           HD2      TYR   6  -6.873  -4.603 -12.135
   36    HE1  TYR   6           HE1      TYR   6  -5.911  -6.672 -16.541
   37    HE2  TYR   6           HE2      TYR   6  -6.740  -3.177 -14.163
   38    HH   TYR   6           HH       TYR   6  -6.216  -3.113 -16.405
   39    H    TYR   7           H        TYR   7  -5.448  -7.164  -8.866
   40    HA   TYR   7           HA       TYR   7  -5.237 -10.066  -8.135
   41   1HB   TYR   7           HB2      TYR   7  -4.261  -7.732  -6.466
   42   2HB   TYR   7           HB3      TYR   7  -4.087  -9.450  -6.127
   43    HD1  TYR   7           HD1      TYR   7  -2.861  -6.605  -8.141
   44    HD2  TYR   7           HD2      TYR   7  -2.320 -10.765  -7.179
   45    HE1  TYR   7           HE1      TYR   7  -0.708  -6.611  -9.370
   46    HE2  TYR   7           HE2      TYR   7  -0.129 -10.751  -8.347
   47    HH   TYR   7           HH       TYR   7   1.426  -7.821  -9.357
   48    H    THR   8           H        THR   8  -6.776 -10.807  -6.733
   49    HA   THR   8           HA       THR   8  -9.150  -9.169  -6.285
   50    HB   THR   8           HB       THR   8  -9.884 -11.346  -5.178
   51    HG1  THR   8           HG1      THR   8  -7.551 -11.885  -4.806
   52   1HG2  THR   8          HG21      THR   8  -9.843 -10.771  -7.833
   53   2HG2  THR   8          HG22      THR   8  -8.821 -12.218  -7.839
   54   3HG2  THR   8          HG23      THR   8 -10.474 -12.284  -7.183
   55    H    LEU   9           H        LEU   9 -10.003  -8.660  -4.216
   56    HA   LEU   9           HA       LEU   9  -8.301  -7.549  -2.401
   57   1HB   LEU   9           HB2      LEU   9 -11.046  -7.815  -2.709
   58   2HB   LEU   9           HB3      LEU   9 -10.808  -8.610  -1.191
   59    HG   LEU   9           HG       LEU   9  -9.924  -5.797  -1.947
   60   1HD1  LEU   9          HD11      LEU   9 -11.912  -6.395   0.244
   61   2HD1  LEU   9          HD12      LEU   9 -11.659  -4.911  -0.699
   62   3HD1  LEU   9          HD13      LEU   9 -12.439  -6.316  -1.439
   63   1HD2  LEU   9          HD21      LEU   9  -9.340  -5.451   0.440
   64   2HD2  LEU   9          HD22      LEU   9  -9.710  -7.152   0.783
   65   3HD2  LEU   9          HD23      LEU   9  -8.330  -6.725  -0.251
   66    H    GLU  10           H        GLU  10  -9.660 -10.829  -2.332
   67    HA   GLU  10           HA       GLU  10  -8.714 -11.700   0.134
   68   1HB   GLU  10           HB2      GLU  10 -10.258 -12.885  -1.506
   69   2HB   GLU  10           HB3      GLU  10  -8.817 -13.442  -2.352
   70   1HG   GLU  10           HG2      GLU  10  -9.472 -15.180  -0.824
   71   2HG   GLU  10           HG3      GLU  10  -7.999 -14.462  -0.176
   72    H    GLU  11           H        GLU  11  -7.076 -12.392  -2.998
   73    HA   GLU  11           HA       GLU  11  -4.700 -13.359  -1.939
   74   1HB   GLU  11           HB2      GLU  11  -5.554 -12.403  -4.572
   75   2HB   GLU  11           HB3      GLU  11  -3.936 -11.808  -4.222
   76   1HG   GLU  11           HG2      GLU  11  -3.747 -13.933  -5.329
   77   2HG   GLU  11           HG3      GLU  11  -3.214 -14.133  -3.655
   78    H    ILE  12           H        ILE  12  -5.523  -9.941  -2.684
   79    HA   ILE  12           HA       ILE  12  -3.014  -8.908  -1.835
   80    HB   ILE  12           HB       ILE  12  -5.760  -7.575  -1.737
   81   1HG1  ILE  12          HG12      ILE  12  -3.765  -7.139  -3.969
   82   2HG1  ILE  12          HG13      ILE  12  -4.823  -8.535  -4.071
   83   1HG2  ILE  12          HG21      ILE  12  -4.449  -5.452  -2.000
   84   2HG2  ILE  12          HG22      ILE  12  -4.028  -6.281  -0.498
   85   3HG2  ILE  12          HG23      ILE  12  -2.959  -6.387  -1.916
   86   1HD1  ILE  12          HD11      ILE  12  -6.737  -7.282  -4.348
   87   2HD1  ILE  12          HD12      ILE  12  -6.122  -5.917  -3.424
   88   3HD1  ILE  12          HD13      ILE  12  -5.578  -6.189  -5.082
   89    H    GLN  13           H        GLN  13  -6.005  -9.528   0.041
   90    HA   GLN  13           HA       GLN  13  -5.184  -8.582   2.572
   91   1HB   GLN  13           HB2      GLN  13  -7.210 -10.540   1.539
   92   2HB   GLN  13           HB3      GLN  13  -6.790 -10.623   3.214
   93   1HG   GLN  13           HG2      GLN  13  -7.318  -7.842   2.277
   94   2HG   GLN  13           HG3      GLN  13  -8.651  -8.945   1.966
   95   1HE2  GLN  13          HE21      GLN  13  -9.703  -7.312   3.506
   96   2HE2  GLN  13          HE22      GLN  13  -9.633  -7.756   5.205
   97    H    LYS  14           H        LYS  14  -4.625 -11.757   0.947
   98    HA   LYS  14           HA       LYS  14  -3.302 -12.907   3.192
   99   1HB   LYS  14           HB2      LYS  14  -2.874 -13.507   0.233
  100   2HB   LYS  14           HB3      LYS  14  -2.295 -14.450   1.598
  101   1HG   LYS  14           HG2      LYS  14  -4.986 -14.170   2.225
  102   2HG   LYS  14           HG3      LYS  14  -5.063 -14.206   0.471
  103   1HD   LYS  14           HD2      LYS  14  -3.494 -16.283   2.046
  104   2HD   LYS  14           HD3      LYS  14  -5.243 -16.420   1.830
  105   1HE   LYS  14           HE2      LYS  14  -5.108 -16.577  -0.546
  106   2HE   LYS  14           HE3      LYS  14  -3.430 -16.031  -0.588
  107   1HZ   LYS  14           HZ1      LYS  14  -2.801 -18.077   0.496
  108   2HZ   LYS  14           HZ2      LYS  14  -4.366 -18.595   0.519
  109   3HZ   LYS  14           HZ3      LYS  14  -3.596 -18.364  -0.918
  110    H    HIS  15           H        HIS  15  -2.191 -10.415   0.994
  111    HA   HIS  15           HA       HIS  15   0.643 -10.779   1.823
  112   1HB   HIS  15           HB2      HIS  15  -0.563  -8.987  -0.305
  113   2HB   HIS  15           HB3      HIS  15   1.119  -9.045   0.166
  114    HD1  HIS  15           HD1      HIS  15   2.090  -9.946  -2.072
  115    HD2  HIS  15           HD2      HIS  15  -1.074 -12.226  -0.527
  116    HE1  HIS  15           HE1      HIS  15   1.930 -12.051  -3.499
  117    H    ASN  16           H        ASN  16   0.011 -10.298   4.027
  118    HA   ASN  16           HA       ASN  16   0.435  -7.424   4.561
  119   1HB   ASN  16           HB2      ASN  16  -1.479  -7.063   5.884
  120   2HB   ASN  16           HB3      ASN  16  -2.069  -7.843   4.413
  121   1HD2  ASN  16          HD21      ASN  16  -2.040 -10.421   4.699
  122   2HD2  ASN  16          HD22      ASN  16  -2.666 -11.015   6.196
  123    H    ASN  17           H        ASN  17   1.693 -10.289   5.134
  124    HA   ASN  17           HA       ASN  17   2.642  -9.595   7.749
  125   1HB   ASN  17           HB2      ASN  17   0.151 -10.849   7.831
  126   2HB   ASN  17           HB3      ASN  17   1.220 -12.234   7.942
  127   1HD2  ASN  17          HD21      ASN  17  -0.226 -12.104  10.035
  128   2HD2  ASN  17          HD22      ASN  17   0.549 -11.320  11.397
  129    H    SER  18           H        SER  18   4.676  -9.923   7.074
  130    HA   SER  18           HA       SER  18   6.603 -11.014   6.659
  131   1HB   SER  18           HB2      SER  18   5.488 -12.935   8.010
  132   2HB   SER  18           HB3      SER  18   5.245 -13.718   6.436
  133    HG   SER  18           HG       SER  18   7.253 -14.254   7.451
  134    H    LYS  19           H        LYS  19   3.982 -12.543   4.767
  135    HA   LYS  19           HA       LYS  19   5.257 -13.276   2.505
  136   1HB   LYS  19           HB2      LYS  19   2.755 -13.443   3.224
  137   2HB   LYS  19           HB3      LYS  19   2.527 -11.922   2.396
  138   1HG   LYS  19           HG2      LYS  19   2.243 -13.092   0.487
  139   2HG   LYS  19           HG3      LYS  19   3.968 -13.488   0.525
  140   1HD   LYS  19           HD2      LYS  19   3.258 -15.418   2.170
  141   2HD   LYS  19           HD3      LYS  19   1.611 -15.013   1.696
  142   1HE   LYS  19           HE2      LYS  19   1.962 -16.674   0.195
  143   2HE   LYS  19           HE3      LYS  19   2.572 -15.345  -0.795
  144   1HZ   LYS  19           HZ1      LYS  19   4.371 -16.880   0.957
  145   2HZ   LYS  19           HZ2      LYS  19   3.933 -17.478  -0.504
  146   3HZ   LYS  19           HZ3      LYS  19   4.742 -16.050  -0.415
  147    H    SER  20           H        SER  20   3.539 -10.123   2.715
  148    HA   SER  20           HA       SER  20   5.606  -8.510   1.763
  149   1HB   SER  20           HB2      SER  20   5.084  -9.754  -0.414
  150   2HB   SER  20           HB3      SER  20   3.452  -9.081  -0.333
  151    HG   SER  20           HG       SER  20   4.575  -6.970  -0.475
  152    H    THR  21           H        THR  21   4.842  -6.397   2.392
  153    HA   THR  21           HA       THR  21   2.124  -6.030   3.399
  154    HB   THR  21           HB       THR  21   4.346  -4.013   2.939
  155    HG1  THR  21           HG1      THR  21   5.132  -5.625   4.194
  156   1HG2  THR  21          HG21      THR  21   1.924  -3.236   3.477
  157   2HG2  THR  21          HG22      THR  21   2.288  -3.898   5.099
  158   3HG2  THR  21          HG23      THR  21   3.247  -2.577   4.409
  159    H    TRP  22           H        TRP  22   0.662  -6.286   1.612
  160    HA   TRP  22           HA       TRP  22   0.868  -4.224  -0.548
  161   1HB   TRP  22           HB2      TRP  22  -0.698  -6.812  -0.338
  162   2HB   TRP  22           HB3      TRP  22  -0.851  -5.644  -1.636
  163    HD1  TRP  22           HD1      TRP  22   2.719  -6.007  -0.862
  164    HE1  TRP  22           HE1      TRP  22   3.902  -7.371  -2.610
  165    HE3  TRP  22           HE3      TRP  22  -1.397  -7.929  -3.175
  166    HZ2  TRP  22           HZ2      TRP  22   3.141  -9.035  -4.894
  167    HZ3  TRP  22           HZ3      TRP  22  -1.150  -9.456  -5.091
  168    HH2  TRP  22           HH2      TRP  22   1.114  -9.963  -6.015
  169    H    LEU  23           H        LEU  23  -1.538  -3.616  -1.254
  170    HA   LEU  23           HA       LEU  23  -3.653  -3.543   0.587
  171   1HB   LEU  23           HB2      LEU  23  -3.467  -1.025   1.124
  172   2HB   LEU  23           HB3      LEU  23  -2.554  -2.159   2.062
  173    HG   LEU  23           HG       LEU  23  -0.524  -1.658   0.523
  174   1HD1  LEU  23          HD11      LEU  23  -1.415  -0.518  -1.359
  175   2HD1  LEU  23          HD12      LEU  23  -2.462   0.475  -0.334
  176   3HD1  LEU  23          HD13      LEU  23  -0.729   0.783  -0.362
  177   1HD2  LEU  23          HD21      LEU  23  -0.792  -0.873   2.838
  178   2HD2  LEU  23          HD22      LEU  23   0.060   0.250   1.756
  179   3HD2  LEU  23          HD23      LEU  23  -1.629   0.577   2.219
  180    H    ILE  24           H        ILE  24  -5.240  -1.738  -0.134
  181    HA   ILE  24           HA       ILE  24  -4.964  -1.287  -3.081
  182    HB   ILE  24           HB       ILE  24  -7.404  -1.819  -1.383
  183   1HG1  ILE  24          HG12      ILE  24  -6.592  -3.260  -3.926
  184   2HG1  ILE  24          HG13      ILE  24  -5.794  -3.692  -2.419
  185   1HG2  ILE  24          HG21      ILE  24  -8.549  -1.679  -3.734
  186   2HG2  ILE  24          HG22      ILE  24  -8.168  -0.161  -2.915
  187   3HG2  ILE  24          HG23      ILE  24  -7.119  -0.758  -4.222
  188   1HD1  ILE  24          HD11      ILE  24  -7.646  -4.563  -1.418
  189   2HD1  ILE  24          HD12      ILE  24  -8.786  -3.506  -2.269
  190   3HD1  ILE  24          HD13      ILE  24  -8.079  -4.896  -3.106
  191    H    LEU  25           H        LEU  25  -4.735   0.712  -3.622
  192    HA   LEU  25           HA       LEU  25  -5.811   2.996  -2.016
  193   1HB   LEU  25           HB2      LEU  25  -3.116   2.278  -2.966
  194   2HB   LEU  25           HB3      LEU  25  -3.597   3.921  -3.374
  195    HG   LEU  25           HG       LEU  25  -3.686   4.668  -1.268
  196   1HD1  LEU  25          HD11      LEU  25  -3.928   1.854  -0.566
  197   2HD1  LEU  25          HD12      LEU  25  -3.185   2.918   0.660
  198   3HD1  LEU  25          HD13      LEU  25  -4.797   3.258   0.016
  199   1HD2  LEU  25          HD21      LEU  25  -1.311   3.224  -0.517
  200   2HD2  LEU  25          HD22      LEU  25  -1.343   3.336  -2.272
  201   3HD2  LEU  25          HD23      LEU  25  -1.447   4.804  -1.305
  202    H    HIS  26           H        HIS  26  -7.640   3.133  -3.292
  203    HA   HIS  26           HA       HIS  26  -8.886   3.905  -5.026
  204   1HB   HIS  26           HB2      HIS  26  -6.385   4.961  -6.367
  205   2HB   HIS  26           HB3      HIS  26  -8.052   5.485  -6.583
  206    HD1  HIS  26           HD1      HIS  26  -9.025   7.122  -4.610
  207    HD2  HIS  26           HD2      HIS  26  -5.052   5.806  -4.245
  208    HE1  HIS  26           HE1      HIS  26  -7.940   8.577  -2.815
  209    H    TYR  27           H        TYR  27  -8.715   1.404  -5.144
  210    HA   TYR  27           HA       TYR  27  -8.827  -0.500  -6.345
  211   1HB   TYR  27           HB2      TYR  27  -9.120   1.364  -8.733
  212   2HB   TYR  27           HB3      TYR  27  -9.669  -0.301  -8.638
  213    HD1  TYR  27           HD1      TYR  27 -11.078   2.673  -8.974
  214    HD2  TYR  27           HD2      TYR  27 -10.999  -0.429  -5.976
  215    HE1  TYR  27           HE1      TYR  27 -13.366   3.293  -8.239
  216    HE2  TYR  27           HE2      TYR  27 -13.317   0.070  -5.379
  217    HH   TYR  27           HH       TYR  27 -15.116   1.461  -5.720
  218    H    LYS  28           H        LYS  28  -6.132   0.648  -5.938
  219    HA   LYS  28           HA       LYS  28  -4.772  -0.775  -8.114
  220   1HB   LYS  28           HB2      LYS  28  -5.092   1.885  -8.124
  221   2HB   LYS  28           HB3      LYS  28  -3.650   1.831  -7.139
  222   1HG   LYS  28           HG2      LYS  28  -2.372   1.430  -8.922
  223   2HG   LYS  28           HG3      LYS  28  -3.336   0.084  -9.464
  224   1HD   LYS  28           HD2      LYS  28  -3.397   1.658 -11.218
  225   2HD   LYS  28           HD3      LYS  28  -5.005   1.648 -10.520
  226   1HE   LYS  28           HE2      LYS  28  -3.076   3.671  -9.416
  227   2HE   LYS  28           HE3      LYS  28  -3.626   3.913 -11.080
  228   1HZ   LYS  28           HZ1      LYS  28  -5.833   4.034 -10.391
  229   2HZ   LYS  28           HZ2      LYS  28  -5.546   3.533  -8.860
  230   3HZ   LYS  28           HZ3      LYS  28  -4.997   4.996  -9.352
  231    H    VAL  29           H        VAL  29  -3.111  -2.024  -7.487
  232    HA   VAL  29           HA       VAL  29  -2.708  -2.205  -4.589
  233    HB   VAL  29           HB       VAL  29  -1.775  -4.206  -6.645
  234   1HG1  VAL  29          HG11      VAL  29  -1.927  -5.755  -4.774
  235   2HG1  VAL  29          HG12      VAL  29  -1.029  -4.344  -4.188
  236   3HG1  VAL  29          HG13      VAL  29  -2.731  -4.544  -3.762
  237   1HG2  VAL  29          HG21      VAL  29  -4.136  -3.915  -7.119
  238   2HG2  VAL  29          HG22      VAL  29  -3.859  -5.428  -6.268
  239   3HG2  VAL  29          HG23      VAL  29  -4.531  -4.029  -5.388
  240    H    TYR  30           H        TYR  30  -0.788  -1.915  -3.603
  241    HA   TYR  30           HA       TYR  30   1.618  -1.176  -5.224
  242   1HB   TYR  30           HB2      TYR  30   0.524   0.107  -2.687
  243   2HB   TYR  30           HB3      TYR  30   2.060   0.498  -3.446
  244    HD1  TYR  30           HD1      TYR  30   2.107   1.562  -5.670
  245    HD2  TYR  30           HD2      TYR  30  -1.611   0.785  -3.713
  246    HE1  TYR  30           HE1      TYR  30   0.976   3.155  -7.219
  247    HE2  TYR  30           HE2      TYR  30  -2.747   2.403  -5.214
  248    HH   TYR  30           HH       TYR  30  -0.990   4.090  -7.829
  249    H    ASP  31           H        ASP  31   3.341  -2.438  -4.682
  250    HA   ASP  31           HA       ASP  31   3.283  -3.918  -2.080
  251   1HB   ASP  31           HB2      ASP  31   3.877  -5.331  -3.971
  252   2HB   ASP  31           HB3      ASP  31   5.139  -4.185  -4.467
  253    H    LEU  32           H        LEU  32   4.121  -2.725  -0.467
  254    HA   LEU  32           HA       LEU  32   6.484  -0.998  -1.039
  255   1HB   LEU  32           HB2      LEU  32   4.509  -0.510   1.145
  256   2HB   LEU  32           HB3      LEU  32   5.711   0.592   0.570
  257    HG   LEU  32           HG       LEU  32   3.845  -0.108  -1.630
  258   1HD1  LEU  32          HD11      LEU  32   2.693   1.489   0.643
  259   2HD1  LEU  32          HD12      LEU  32   1.891   0.921  -0.842
  260   3HD1  LEU  32          HD13      LEU  32   2.338  -0.242   0.400
  261   1HD2  LEU  32          HD21      LEU  32   5.645   1.642  -1.529
  262   2HD2  LEU  32          HD22      LEU  32   4.072   2.151  -2.145
  263   3HD2  LEU  32          HD23      LEU  32   4.573   2.583  -0.482
  264    H    THR  33           H        THR  33   6.095  -3.931  -0.237
  265    HA   THR  33           HA       THR  33   6.509  -4.100   2.556
  266    HB   THR  33           HB       THR  33   5.807  -5.849   0.790
  267    HG1  THR  33           HG1      THR  33   7.549  -6.575   2.911
  268   1HG2  THR  33          HG21      THR  33   7.429  -7.469   0.102
  269   2HG2  THR  33          HG22      THR  33   7.874  -5.889  -0.543
  270   3HG2  THR  33          HG23      THR  33   8.748  -6.571   0.857
  271    H    LYS  34           H        LYS  34   8.752  -3.672  -0.075
  272    HA   LYS  34           HA       LYS  34  11.109  -3.694   1.764
  273   1HB   LYS  34           HB2      LYS  34  10.719  -3.787  -1.241
  274   2HB   LYS  34           HB3      LYS  34  12.287  -3.352  -0.534
  275   1HG   LYS  34           HG2      LYS  34  12.538  -5.384   0.595
  276   2HG   LYS  34           HG3      LYS  34  10.843  -5.851   0.397
  277   1HD   LYS  34           HD2      LYS  34  11.108  -6.142  -1.999
  278   2HD   LYS  34           HD3      LYS  34  12.769  -5.504  -1.925
  279   1HE   LYS  34           HE2      LYS  34  13.359  -7.410  -0.354
  280   2HE   LYS  34           HE3      LYS  34  11.741  -8.084  -0.617
  281   1HZ   LYS  34           HZ1      LYS  34  13.712  -7.592  -2.753
  282   2HZ   LYS  34           HZ2      LYS  34  13.488  -9.044  -2.015
  283   3HZ   LYS  34           HZ3      LYS  34  12.273  -8.381  -2.907
  284    H    PHE  35           H        PHE  35   8.827  -1.739   1.852
  285    HA   PHE  35           HA       PHE  35  10.596   0.594   1.852
  286   1HB   PHE  35           HB2      PHE  35   8.767   0.311  -0.142
  287   2HB   PHE  35           HB3      PHE  35   7.741   0.918   1.092
  288    HD1  PHE  35           HD1      PHE  35   7.301   3.231   0.908
  289    HD2  PHE  35           HD2      PHE  35  11.271   1.768   0.017
  290    HE1  PHE  35           HE1      PHE  35   8.070   5.546   0.456
  291    HE2  PHE  35           HE2      PHE  35  12.025   4.066  -0.412
  292    HZ   PHE  35           HZ       PHE  35  10.444   5.972  -0.163
  293    H    LEU  36           H        LEU  36   9.095  -1.455   3.810
  294    HA   LEU  36           HA       LEU  36   7.210   0.097   5.239
  295   1HB   LEU  36           HB2      LEU  36   9.052  -2.161   6.106
  296   2HB   LEU  36           HB3      LEU  36   7.787  -1.501   7.138
  297    HG   LEU  36           HG       LEU  36   7.232  -2.665   4.366
  298   1HD1  LEU  36          HD11      LEU  36   8.162  -4.399   5.760
  299   2HD1  LEU  36          HD12      LEU  36   7.186  -3.893   7.159
  300   3HD1  LEU  36          HD13      LEU  36   6.418  -4.627   5.742
  301   1HD2  LEU  36          HD21      LEU  36   5.374  -1.432   4.748
  302   2HD2  LEU  36          HD22      LEU  36   4.932  -2.840   5.745
  303   3HD2  LEU  36          HD23      LEU  36   5.575  -1.388   6.511
  304    H    GLU  37           H        GLU  37  10.534  -0.640   6.414
  305    HA   GLU  37           HA       GLU  37  10.582   1.437   8.347
  306   1HB   GLU  37           HB2      GLU  37  12.626  -0.360   7.046
  307   2HB   GLU  37           HB3      GLU  37  13.206   1.107   7.835
  308   1HG   GLU  37           HG2      GLU  37  12.017   0.479   9.919
  309   2HG   GLU  37           HG3      GLU  37  11.523  -1.047   9.178
  310    H    GLU  38           H        GLU  38  11.426   1.410   4.900
  311    HA   GLU  38           HA       GLU  38  12.800   3.914   4.833
  312   1HB   GLU  38           HB2      GLU  38  11.248   2.394   2.740
  313   2HB   GLU  38           HB3      GLU  38  12.220   3.801   2.388
  314   1HG   GLU  38           HG2      GLU  38  13.806   1.845   3.907
  315   2HG   GLU  38           HG3      GLU  38  13.135   1.132   2.430
  316    H    HIS  39           HN       HIS  39   9.382   2.993   4.368
  317    HA   HIS  39           HA       HIS  39   8.299   5.272   3.284
  318   1HB   HIS  39           HB2      HIS  39   6.960   3.355   3.463
  319   2HB   HIS  39           HB3      HIS  39   7.123   3.285   5.224
  320    HD1  HIS  39           HND      HIS  39   4.909   3.974   6.314
  321    HD2  HIS  39           HD       HIS  39   5.757   5.910   2.679
  322    HE1  HIS  39           HE       HIS  39   2.958   5.522   5.859
  323    HA   PRO  40           HA       PRO  40   9.349   7.817   6.892
  324   1HB   PRO  40           HB2      PRO  40   9.423  10.280   5.704
  325   2HB   PRO  40           HB3      PRO  40  10.694   9.044   5.520
  326   1HG   PRO  40           HG2      PRO  40   8.547   9.793   3.563
  327   2HG   PRO  40           HG3      PRO  40  10.238   9.306   3.255
  328   1HD   PRO  40           HD2      PRO  40   7.964   7.640   3.097
  329   2HD   PRO  40           HD3      PRO  40   9.656   7.095   3.189
  330    H    GLY  41           H        GLY  41   7.195   6.931   7.473
  331   1HA   GLY  41           HA1      GLY  41   5.274   9.072   8.008
  332   2HA   GLY  41           HA2      GLY  41   4.728   7.804   6.868
  333    H    GLY  42           H        GLY  42   5.753   5.522   7.906
  334   1HA   GLY  42           HA1      GLY  42   5.738   4.867  10.519
  335   2HA   GLY  42           HA2      GLY  42   4.013   5.159  10.260
  336    H    GLU  43           H        GLU  43   6.637   2.945   9.753
  337    HA   GLU  43           HA       GLU  43   5.561   1.155   7.863
  338   1HB   GLU  43           HB2      GLU  43   6.957  -0.492   9.015
  339   2HB   GLU  43           HB3      GLU  43   7.797   1.046   8.788
  340   1HG   GLU  43           HG2      GLU  43   6.778   1.428  11.329
  341   2HG   GLU  43           HG3      GLU  43   7.000  -0.329  11.302
  342    H    ALA  44           H        ALA  44   4.846   1.629  11.332
  343    HA   ALA  44           HA       ALA  44   3.346  -0.691  11.767
  344   1HB   ALA  44           HB1      ALA  44   2.582   0.312  13.769
  345   2HB   ALA  44           HB2      ALA  44   4.193   1.003  13.497
  346   3HB   ALA  44           HB3      ALA  44   2.742   1.961  13.134
  347    H    VAL  45           H        VAL  45   2.101   2.624  10.957
  348    HA   VAL  45           HA       VAL  45  -0.547   1.649  10.529
  349    HB   VAL  45           HB       VAL  45  -0.222   3.956  11.024
  350   1HG1  VAL  45          HG11      VAL  45   0.580   5.568   9.352
  351   2HG1  VAL  45          HG12      VAL  45   1.863   4.455   9.837
  352   3HG1  VAL  45          HG13      VAL  45   1.054   4.252   8.263
  353   1HG2  VAL  45          HG21      VAL  45  -1.392   3.724   8.232
  354   2HG2  VAL  45          HG22      VAL  45  -2.211   3.113   9.678
  355   3HG2  VAL  45          HG23      VAL  45  -1.862   4.843   9.522
  356    H    LEU  46           H        LEU  46   2.299   2.093   8.164
  357    HA   LEU  46           HA       LEU  46   0.715   1.343   5.979
  358   1HB   LEU  46           HB2      LEU  46   3.433   1.826   6.450
  359   2HB   LEU  46           HB3      LEU  46   3.419   0.151   5.898
  360    HG   LEU  46           HG       LEU  46   2.124   2.547   4.517
  361   1HD1  LEU  46          HD11      LEU  46   4.222   1.214   2.981
  362   2HD1  LEU  46          HD12      LEU  46   4.028   2.912   3.410
  363   3HD1  LEU  46          HD13      LEU  46   4.855   1.798   4.526
  364   1HD2  LEU  46          HD21      LEU  46   1.835   1.072   2.613
  365   2HD2  LEU  46          HD22      LEU  46   2.447  -0.324   3.528
  366   3HD2  LEU  46          HD23      LEU  46   0.915   0.452   3.982
  367    H    ARG  47           H        ARG  47   2.137  -0.729   8.490
  368    HA   ARG  47           HA       ARG  47   1.628  -3.233   7.157
  369   1HB   ARG  47           HB2      ARG  47   3.439  -2.735   8.875
  370   2HB   ARG  47           HB3      ARG  47   2.169  -2.666  10.096
  371   1HG   ARG  47           HG2      ARG  47   3.151  -4.794  10.234
  372   2HG   ARG  47           HG3      ARG  47   1.568  -5.071   9.495
  373   1HD   ARG  47           HD2      ARG  47   2.558  -5.391   7.308
  374   2HD   ARG  47           HD3      ARG  47   4.102  -4.689   7.858
  375    HE   ARG  47           HE       ARG  47   3.290  -7.055   9.347
  376   1HH1  ARG  47          HH11      ARG  47   6.222  -8.688   8.270
  377   2HH1  ARG  47          HH12      ARG  47   4.974  -8.618   9.472
  378   1HH2  ARG  47          HH21      ARG  47   6.081  -7.217   6.375
  379   2HH2  ARG  47          HH22      ARG  47   4.750  -6.101   6.265
  380    H    ALA  48           H        ALA  48  -0.004  -1.292   9.648
  381    HA   ALA  48           HA       ALA  48  -1.972  -3.243  10.368
  382   1HB   ALA  48           HB1      ALA  48  -1.988  -0.206  10.568
  383   2HB   ALA  48           HB2      ALA  48  -3.072  -1.313  11.449
  384   3HB   ALA  48           HB3      ALA  48  -1.319  -1.325  11.772
  385    H    GLN  49           H        GLN  49  -1.950  -0.511   8.024
  386    HA   GLN  49           HA       GLN  49  -4.648  -1.144   7.110
  387   1HB   GLN  49           HB2      GLN  49  -2.501   0.873   6.487
  388   2HB   GLN  49           HB3      GLN  49  -3.597   0.486   5.189
  389   1HG   GLN  49           HG2      GLN  49  -4.478   1.368   7.967
  390   2HG   GLN  49           HG3      GLN  49  -4.343   2.397   6.531
  391   1HE2  GLN  49          HE21      GLN  49  -6.844   2.357   7.738
  392   2HE2  GLN  49          HE22      GLN  49  -7.925   1.402   6.729
  393    H    ALA  50           H        ALA  50  -1.475  -2.374   6.386
  394    HA   ALA  50           HA       ALA  50  -1.810  -3.078   3.765
  395   1HB   ALA  50           HB1      ALA  50   0.226  -3.378   4.977
  396   2HB   ALA  50           HB2      ALA  50  -0.435  -4.765   5.875
  397   3HB   ALA  50           HB3      ALA  50  -0.195  -4.876   4.125
  398    H    GLY  51           H        GLY  51  -2.556  -4.904   2.658
  399   1HA   GLY  51           HA1      GLY  51  -4.115  -6.469   2.083
  400   2HA   GLY  51           HA2      GLY  51  -3.929  -7.139   3.716
  401    H    GLY  52           H        GLY  52  -5.200  -3.938   2.613
  402   1HA   GLY  52           HA1      GLY  52  -7.943  -4.711   3.072
  403   2HA   GLY  52           HA2      GLY  52  -7.282  -3.667   4.356
  404    H    ASP  53           H        ASP  53  -9.326  -2.675   2.894
  405    HA   ASP  53           HA       ASP  53  -8.414  -0.981   0.731
  406   1HB   ASP  53           HB2      ASP  53 -10.962  -1.502   2.066
  407   2HB   ASP  53           HB3      ASP  53 -10.653   0.230   2.059
  408    H    ALA  54           H        ALA  54  -6.717   0.273   1.193
  409    HA   ALA  54           HA       ALA  54  -6.707   1.790   3.784
  410   1HB   ALA  54           HB1      ALA  54  -4.395   1.277   1.892
  411   2HB   ALA  54           HB2      ALA  54  -4.353   2.030   3.504
  412   3HB   ALA  54           HB3      ALA  54  -4.751   0.294   3.321
  413    H    THR  55           H        THR  55  -7.557   2.082   0.540
  414    HA   THR  55           HA       THR  55  -6.605   4.380  -0.397
  415    HB   THR  55           HB       THR  55  -9.580   3.704  -0.394
  416    HG1  THR  55           HG1      THR  55  -8.863   1.885  -1.218
  417   1HG2  THR  55          HG21      THR  55  -8.972   5.883  -1.441
  418   2HG2  THR  55          HG22      THR  55  -7.651   5.081  -2.313
  419   3HG2  THR  55          HG23      THR  55  -9.347   4.706  -2.718
  420    H    ALA  56           H        ALA  56  -9.310   4.305   1.933
  421    HA   ALA  56           HA       ALA  56  -9.595   7.099   2.263
  422   1HB   ALA  56           HB1      ALA  56 -10.208   4.843   4.212
  423   2HB   ALA  56           HB2      ALA  56 -10.840   6.503   4.287
  424   3HB   ALA  56           HB3      ALA  56 -11.283   5.450   2.931
  425    H    ASN  57           H        ASN  57  -7.352   4.809   3.777
  426    HA   ASN  57           HA       ASN  57  -6.660   6.580   5.999
  427   1HB   ASN  57           HB2      ASN  57  -6.386   3.816   5.439
  428   2HB   ASN  57           HB3      ASN  57  -4.742   4.433   5.399
  429   1HD2  ASN  57          HD21      ASN  57  -7.770   4.753   7.387
  430   2HD2  ASN  57          HD22      ASN  57  -6.925   4.688   8.927
  431    H    PHE  58           H        PHE  58  -5.173   5.445   2.966
  432    HA   PHE  58           HA       PHE  58  -2.824   7.012   2.973
  433   1HB   PHE  58           HB2      PHE  58  -3.162   5.230   1.398
  434   2HB   PHE  58           HB3      PHE  58  -4.600   5.988   0.734
  435    HD1  PHE  58           HD1      PHE  58  -0.938   6.639   1.231
  436    HD2  PHE  58           HD2      PHE  58  -4.398   7.269  -1.245
  437    HE1  PHE  58           HE1      PHE  58   0.512   7.621  -0.529
  438    HE2  PHE  58           HE2      PHE  58  -2.955   8.161  -3.041
  439    HZ   PHE  58           HZ       PHE  58  -0.486   8.348  -2.689
  440    H    GLU  59           H        GLU  59  -6.010   7.776   1.374
  441    HA   GLU  59           HA       GLU  59  -5.165  10.348   0.578
  442   1HB   GLU  59           HB2      GLU  59  -7.451  10.773  -0.038
  443   2HB   GLU  59           HB3      GLU  59  -6.932   9.145  -0.491
  444   1HG   GLU  59           HG2      GLU  59  -8.978   8.604   0.343
  445   2HG   GLU  59           HG3      GLU  59  -8.010   8.492   1.813
  446    H    ALA  60           H        ALA  60  -6.864   9.283   3.535
  447    HA   ALA  60           HA       ALA  60  -7.373  11.700   4.738
  448   1HB   ALA  60           HB1      ALA  60  -7.004  10.534   6.923
  449   2HB   ALA  60           HB2      ALA  60  -8.029   9.637   5.792
  450   3HB   ALA  60           HB3      ALA  60  -6.352   9.142   6.042
  451    H    VAL  61           H        VAL  61  -4.151  10.245   4.294
  452    HA   VAL  61           HA       VAL  61  -2.949  12.761   5.418
  453    HB   VAL  61           HB       VAL  61  -0.875  11.467   5.695
  454   1HG1  VAL  61          HG11      VAL  61  -2.703   9.939   7.463
  455   2HG1  VAL  61          HG12      VAL  61  -1.406  11.079   7.856
  456   3HG1  VAL  61          HG13      VAL  61  -3.021  11.679   7.447
  457   1HG2  VAL  61          HG21      VAL  61  -1.433   9.531   4.191
  458   2HG2  VAL  61          HG22      VAL  61  -0.939   9.035   5.815
  459   3HG2  VAL  61          HG23      VAL  61  -2.649   9.026   5.353
  460    H    GLY  62           H        GLY  62  -3.989  13.256   3.170
  461   1HA   GLY  62           HA1      GLY  62  -3.116  12.836   0.729
  462   2HA   GLY  62           HA2      GLY  62  -3.255  14.488   1.340
  463    H    HIS  63           HN       HIS  63  -1.181  12.236  -0.031
  464    HA   HIS  63           HA       HIS  63   1.351  13.193   1.092
  465   1HB   HIS  63           HB2      HIS  63   0.592  11.122  -1.022
  466   2HB   HIS  63           HB3      HIS  63   2.218  11.499  -0.475
  467    HD1  HIS  63           HND      HIS  63  -0.930  10.305   1.583
  468    HD2  HIS  63           HD       HIS  63   3.186   9.903   1.035
  469    HE1  HIS  63           HE       HIS  63  -0.245   8.253   2.916
  470    H    SER  64           H        SER  64   3.175  13.730  -0.413
  471    HA   SER  64           HA       SER  64   2.313  15.778  -2.350
  472   1HB   SER  64           HB2      SER  64   5.038  14.933  -1.289
  473   2HB   SER  64           HB3      SER  64   4.805  16.230  -2.469
  474    HG   SER  64           HG       SER  64   3.196  17.047  -0.839
  475    H    THR  65           H        THR  65   3.605  16.044  -4.447
  476    HA   THR  65           HA       THR  65   2.888  14.233  -6.316
  477    HB   THR  65           HB       THR  65   5.413  15.883  -6.557
  478    HG1  THR  65           HG1      THR  65   4.026  17.667  -6.822
  479   1HG2  THR  65          HG21      THR  65   4.735  14.624  -8.549
  480   2HG2  THR  65          HG22      THR  65   3.097  15.302  -8.459
  481   3HG2  THR  65          HG23      THR  65   4.481  16.356  -8.813
  482    H    ASP  66           H        ASP  66   6.101  14.523  -4.765
  483    HA   ASP  66           HA       ASP  66   7.477  12.536  -6.126
  484   1HB   ASP  66           HB2      ASP  66   8.050  14.262  -4.047
  485   2HB   ASP  66           HB3      ASP  66   7.947  12.748  -3.148
  486    H    ALA  67           H        ALA  67   5.383  12.277  -3.267
  487    HA   ALA  67           HA       ALA  67   5.656   9.432  -2.893
  488   1HB   ALA  67           HB1      ALA  67   4.651  10.079  -0.997
  489   2HB   ALA  67           HB2      ALA  67   4.123  11.611  -1.694
  490   3HB   ALA  67           HB3      ALA  67   3.146  10.137  -1.916
  491    H    ARG  68           H        ARG  68   3.277  11.470  -4.621
  492    HA   ARG  68           HA       ARG  68   1.501   9.407  -5.419
  493   1HB   ARG  68           HB2      ARG  68   2.036  12.216  -6.279
  494   2HB   ARG  68           HB3      ARG  68   1.372  11.176  -7.523
  495   1HG   ARG  68           HG2      ARG  68  -0.504  12.100  -6.603
  496   2HG   ARG  68           HG3      ARG  68  -0.442  10.500  -5.864
  497   1HD   ARG  68           HD2      ARG  68   0.755  11.642  -3.874
  498   2HD   ARG  68           HD3      ARG  68   0.308  13.186  -4.575
  499    HE   ARG  68           HE       ARG  68  -1.327  11.352  -3.082
  500   1HH1  ARG  68          HH11      ARG  68  -4.438  12.819  -3.827
  501   2HH1  ARG  68          HH12      ARG  68  -3.604  11.665  -2.842
  502   1HH2  ARG  68          HH21      ARG  68  -3.244  14.029  -5.489
  503   2HH2  ARG  68          HH22      ARG  68  -1.535  13.750  -5.646
  504    H    GLU  69           H        GLU  69   4.578  10.515  -6.782
  505    HA   GLU  69           HA       GLU  69   4.403   8.874  -9.219
  506   1HB   GLU  69           HB2      GLU  69   6.231  10.867  -8.000
  507   2HB   GLU  69           HB3      GLU  69   6.976   9.723  -9.110
  508   1HG   GLU  69           HG2      GLU  69   4.421  11.096  -9.983
  509   2HG   GLU  69           HG3      GLU  69   5.929  12.017  -9.975
  510    H    LEU  70           H        LEU  70   6.149   8.828  -6.114
  511    HA   LEU  70           HA       LEU  70   7.698   6.584  -6.574
  512   1HB   LEU  70           HB2      LEU  70   7.986   8.190  -4.746
  513   2HB   LEU  70           HB3      LEU  70   6.496   7.599  -4.009
  514    HG   LEU  70           HG       LEU  70   7.488   5.898  -2.960
  515   1HD1  LEU  70          HD11      LEU  70   9.422   4.597  -3.960
  516   2HD1  LEU  70          HD12      LEU  70   7.833   4.565  -4.737
  517   3HD1  LEU  70          HD13      LEU  70   9.156   5.539  -5.437
  518   1HD2  LEU  70          HD21      LEU  70   9.892   6.275  -2.441
  519   2HD2  LEU  70          HD22      LEU  70   9.951   7.531  -3.684
  520   3HD2  LEU  70          HD23      LEU  70   8.903   7.737  -2.256
  521    H    SER  71           H        SER  71   4.551   6.771  -4.955
  522    HA   SER  71           HA       SER  71   3.896   4.090  -4.667
  523   1HB   SER  71           HB2      SER  71   1.568   4.704  -4.839
  524   2HB   SER  71           HB3      SER  71   2.482   5.941  -3.941
  525    HG   SER  71           HG       SER  71   1.250   6.124  -6.428
  526    H    LYS  72           H        LYS  72   3.533   5.967  -7.744
  527    HA   LYS  72           HA       LYS  72   2.643   3.711  -9.235
  528   1HB   LYS  72           HB2      LYS  72   4.094   6.218 -10.146
  529   2HB   LYS  72           HB3      LYS  72   3.449   5.006 -11.239
  530   1HG   LYS  72           HG2      LYS  72   1.781   6.504  -9.161
  531   2HG   LYS  72           HG3      LYS  72   1.985   6.984 -10.842
  532   1HD   LYS  72           HD2      LYS  72   1.137   4.575 -11.445
  533   2HD   LYS  72           HD3      LYS  72   0.683   4.440  -9.745
  534   1HE   LYS  72           HE2      LYS  72  -1.287   5.107 -10.839
  535   2HE   LYS  72           HE3      LYS  72  -0.693   6.553 -10.003
  536   1HZ   LYS  72           HZ1      LYS  72   0.261   7.247 -12.139
  537   2HZ   LYS  72           HZ2      LYS  72  -0.370   5.919 -12.873
  538   3HZ   LYS  72           HZ3      LYS  72  -1.369   7.062 -12.240
  539    H    THR  73           H        THR  73   5.952   4.815  -8.522
  540    HA   THR  73           HA       THR  73   7.270   2.789 -10.069
  541    HB   THR  73           HB       THR  73   8.121   4.564  -7.773
  542    HG1  THR  73           HG1      THR  73   9.038   5.636  -9.386
  543   1HG2  THR  73          HG21      THR  73  10.453   3.837  -8.186
  544   2HG2  THR  73          HG22      THR  73   9.465   2.611  -7.383
  545   3HG2  THR  73          HG23      THR  73   9.834   2.455  -9.118
  546    H    PHE  74           H        PHE  74   5.674   2.657  -6.991
  547    HA   PHE  74           HA       PHE  74   6.570  -0.178  -6.580
  548   1HB   PHE  74           HB2      PHE  74   5.077   1.783  -4.810
  549   2HB   PHE  74           HB3      PHE  74   5.253   0.085  -4.414
  550    HD1  PHE  74           HD1      PHE  74   7.832  -0.822  -4.786
  551    HD2  PHE  74           HD2      PHE  74   6.507   3.044  -3.413
  552    HE1  PHE  74           HE1      PHE  74   9.999  -0.488  -3.634
  553    HE2  PHE  74           HE2      PHE  74   8.616   3.298  -2.138
  554    HZ   PHE  74           HZ       PHE  74  10.379   1.557  -2.288
  555    H    ILE  75           H        ILE  75   4.273   1.207  -8.464
  556    HA   ILE  75           HA       ILE  75   1.915  -0.198  -7.668
  557    HB   ILE  75           HB       ILE  75   2.363   1.644  -9.453
  558   1HG1  ILE  75          HG12      ILE  75   0.128  -0.366  -9.541
  559   2HG1  ILE  75          HG13      ILE  75   0.285   1.097  -8.550
  560   1HG2  ILE  75          HG21      ILE  75   2.310   0.922 -11.760
  561   2HG2  ILE  75          HG22      ILE  75   3.653   0.101 -10.990
  562   3HG2  ILE  75          HG23      ILE  75   2.126  -0.774 -11.276
  563   1HD1  ILE  75          HD11      ILE  75  -0.477   0.866 -11.381
  564   2HD1  ILE  75          HD12      ILE  75  -0.847   2.139 -10.189
  565   3HD1  ILE  75          HD13      ILE  75   0.687   2.170 -11.021
  566    H    ILE  76           H        ILE  76   1.345  -2.371  -7.863
  567    HA   ILE  76           HA       ILE  76   3.199  -4.133  -9.469
  568    HB   ILE  76           HB       ILE  76   2.221  -5.944  -8.021
  569   1HG1  ILE  76          HG12      ILE  76   1.527  -3.648  -6.138
  570   2HG1  ILE  76          HG13      ILE  76   0.327  -4.397  -7.195
  571   1HG2  ILE  76          HG21      ILE  76   3.880  -5.522  -6.266
  572   2HG2  ILE  76          HG22      ILE  76   4.519  -4.961  -7.804
  573   3HG2  ILE  76          HG23      ILE  76   3.884  -3.786  -6.638
  574   1HD1  ILE  76          HD11      ILE  76   0.963  -5.228  -4.655
  575   2HD1  ILE  76          HD12      ILE  76   0.174  -6.241  -5.896
  576   3HD1  ILE  76          HD13      ILE  76   1.923  -6.336  -5.640
  577    H    GLY  77           H        GLY  77   0.059  -2.761  -9.455
  578   1HA   GLY  77           HA1      GLY  77  -0.787  -3.439 -11.905
  579   2HA   GLY  77           HA2      GLY  77  -1.218  -4.895 -10.975
  580    H    GLU  78           H        GLU  78  -3.405  -4.572 -11.005
  581    HA   GLU  78           HA       GLU  78  -4.418  -2.255  -9.494
  582   1HB   GLU  78           HB2      GLU  78  -4.941  -2.915 -12.350
  583   2HB   GLU  78           HB3      GLU  78  -6.368  -2.585 -11.367
  584   1HG   GLU  78           HG2      GLU  78  -5.328  -0.503 -10.565
  585   2HG   GLU  78           HG3      GLU  78  -4.018  -0.731 -11.757
  586    H    LEU  79           H        LEU  79  -6.765  -2.480  -9.025
  587    HA   LEU  79           HA       LEU  79  -7.170  -4.922  -7.506
  588   1HB   LEU  79           HB2      LEU  79  -8.034  -2.746  -6.749
  589   2HB   LEU  79           HB3      LEU  79  -8.915  -2.574  -8.278
  590    HG   LEU  79           HG       LEU  79 -10.073  -4.843  -7.520
  591   1HD1  LEU  79          HD11      LEU  79  -9.559  -3.780  -4.759
  592   2HD1  LEU  79          HD12      LEU  79 -10.065  -5.396  -5.282
  593   3HD1  LEU  79          HD13      LEU  79  -8.393  -4.891  -5.504
  594   1HD2  LEU  79          HD21      LEU  79 -11.884  -3.670  -7.132
  595   2HD2  LEU  79          HD22      LEU  79 -11.149  -2.644  -5.891
  596   3HD2  LEU  79          HD23      LEU  79 -10.929  -2.282  -7.618
  597    H    HIS  80           H        HIS  80  -8.219  -6.759  -8.200
  598    HA   HIS  80           HA       HIS  80  -8.807  -7.327 -10.873
  599   1HB   HIS  80           HB2      HIS  80  -8.621  -8.798  -8.715
  600   2HB   HIS  80           HB3      HIS  80 -10.373  -8.620  -8.653
  601    HD1  HIS  80           HD1      HIS  80 -11.609 -10.309 -10.304
  602    HD2  HIS  80           HD2      HIS  80  -7.460  -9.999 -10.855
  603    HE1  HIS  80           HE1      HIS  80 -10.999 -12.051 -12.017
  604    HA   PRO  81           HA       PRO  81 -12.681  -5.264 -11.585
  605   1HB   PRO  81           HB2      PRO  81 -13.549  -6.592 -13.826
  606   2HB   PRO  81           HB3      PRO  81 -12.253  -5.364 -13.813
  607   1HG   PRO  81           HG2      PRO  81 -11.963  -8.372 -13.831
  608   2HG   PRO  81           HG3      PRO  81 -11.022  -7.162 -14.754
  609   1HD   PRO  81           HD2      PRO  81 -10.160  -8.350 -12.464
  610   2HD   PRO  81           HD3      PRO  81  -9.661  -6.703 -12.933
  611    H    ASP  82           H        ASP  82 -12.372  -8.553 -10.631
  612    HA   ASP  82           HA       ASP  82 -15.206  -9.178 -10.501
  613   1HB   ASP  82           HB2      ASP  82 -13.401 -10.896 -10.639
  614   2HB   ASP  82           HB3      ASP  82 -12.908 -10.442  -8.963
  615    H    ASP  83           H        ASP  83 -12.847  -7.559  -8.446
  616    HA   ASP  83           HA       ASP  83 -14.332  -7.702  -5.961
  617   1HB   ASP  83           HB2      ASP  83 -11.964  -7.423  -5.857
  618   2HB   ASP  83           HB3      ASP  83 -12.020  -6.016  -6.937
  619    H    ARG  84           H        ARG  84 -13.853  -5.219  -8.428
  620    HA   ARG  84           HA       ARG  84 -15.365  -3.119  -7.280
  621   1HB   ARG  84           HB2      ARG  84 -14.264  -3.813  -9.967
  622   2HB   ARG  84           HB3      ARG  84 -15.606  -2.675  -9.987
  623   1HG   ARG  84           HG2      ARG  84 -14.510  -1.091  -8.637
  624   2HG   ARG  84           HG3      ARG  84 -13.238  -2.209  -8.153
  625   1HD   ARG  84           HD2      ARG  84 -13.752  -1.250 -10.988
  626   2HD   ARG  84           HD3      ARG  84 -12.522  -0.548  -9.908
  627    HE   ARG  84           HE       ARG  84 -11.877  -3.222  -9.908
  628   1HH1  ARG  84          HH11      ARG  84 -10.072  -3.540 -12.921
  629   2HH1  ARG  84          HH12      ARG  84 -10.085  -3.977 -11.251
  630   1HH2  ARG  84          HH21      ARG  84 -11.273  -1.637 -13.612
  631   2HH2  ARG  84          HH22      ARG  84 -12.418  -0.919 -12.521
  632    HHA  HEM 201           HGM      HEM 201   4.757  10.970   5.156
  633    HHB  HEM 201           HDM      HEM 201   5.844   7.698  -0.312
  634    HHC  HEM 201           HAM      HEM 201   0.672   4.068   0.908
  635    HHD  HEM 201           HBM      HEM 201   0.090   6.798   6.721
  636   1HMA  HEM 201          HM81      HEM 201   7.348  11.081   0.529
  637   2HMA  HEM 201          HM82      HEM 201   8.150   9.514   0.776
  638   3HMA  HEM 201          HM83      HEM 201   6.861   9.700  -0.428
  639   1HAA  HEM 201          HAA1      HEM 201   6.707  11.741   4.141
  640   2HAA  HEM 201          HAA2      HEM 201   7.247  12.027   2.500
  641   1HBA  HEM 201          HBA1      HEM 201   5.656  13.741   3.435
  642   2HBA  HEM 201          HBA2      HEM 201   4.371  12.542   3.401
  643   1HMB  HEM 201          HM11      HEM 201   5.833   5.406  -1.572
  644   2HMB  HEM 201          HM12      HEM 201   4.479   4.844  -2.551
  645   3HMB  HEM 201          HM13      HEM 201   4.847   6.578  -2.487
  646    HAB  HEM 201          HT2A      HEM 201   2.274   3.039  -1.185
  647   1HBB  HEM 201          HV2C      HEM 201   0.837   5.482  -2.272
  648   2HBB  HEM 201          HV2T      HEM 201   0.738   3.708  -2.864
  649   1HMC  HEM 201          HM31      HEM 201  -0.931   2.520   3.251
  650   2HMC  HEM 201          HM32      HEM 201  -2.310   3.638   3.232
  651   3HMC  HEM 201          HM33      HEM 201  -1.302   3.464   1.790
  652    HAC  HEM 201          HT4A      HEM 201  -1.788   3.905   5.978
  653   1HBC  HEM 201          HV4C      HEM 201  -2.225   6.890   5.477
  654   2HBC  HEM 201          HV4T      HEM 201  -3.096   5.854   6.745
  655   1HMD  HEM 201          HM51      HEM 201   0.365   9.519   8.420
  656   2HMD  HEM 201          HM52      HEM 201   0.754   7.795   8.580
  657   3HMD  HEM 201          HM53      HEM 201   1.866   8.996   9.208
  658   1HAD  HEM 201          HAD1      HEM 201   3.459  10.484   8.649
  659   2HAD  HEM 201          HAD2      HEM 201   4.450  11.042   7.329
  660   1HBD  HEM 201          HBD1      HEM 201   2.067  12.215   6.705
  661   2HBD  HEM 201          HBD2      HEM 201   1.997  12.178   8.476
  Start of MODEL   11
    1   1H    ALA   3           H1       ALA   3   1.750 -11.168 -15.925
    2   2H    ALA   3           H2       ALA   3   1.849 -12.236 -17.211
    3   3H    ALA   3           H3       ALA   3   2.911 -10.964 -17.054
    4    HA   ALA   3           HA       ALA   3   0.073 -10.896 -17.715
    5   1HB   ALA   3           HB1      ALA   3   2.467  -9.394 -18.877
    6   2HB   ALA   3           HB2      ALA   3   1.692 -10.831 -19.586
    7   3HB   ALA   3           HB3      ALA   3   0.789  -9.314 -19.464
    8    H    VAL   4           H        VAL   4  -0.251  -8.089 -17.995
    9    HA   VAL   4           HA       VAL   4  -0.164  -7.169 -15.195
   10    HB   VAL   4           HB       VAL   4  -2.054  -6.539 -17.488
   11   1HG1  VAL   4          HG11      VAL   4  -1.981  -5.276 -14.718
   12   2HG1  VAL   4          HG12      VAL   4  -2.969  -4.744 -16.094
   13   3HG1  VAL   4          HG13      VAL   4  -3.276  -6.316 -15.358
   14   1HG2  VAL   4          HG21      VAL   4   0.132  -4.909 -16.138
   15   2HG2  VAL   4          HG22      VAL   4   0.205  -5.590 -17.779
   16   3HG2  VAL   4          HG23      VAL   4  -0.955  -4.302 -17.410
   17    H    LYS   5           H        LYS   5  -1.439  -8.080 -13.697
   18    HA   LYS   5           HA       LYS   5  -3.833  -9.523 -14.460
   19   1HB   LYS   5           HB2      LYS   5  -2.212 -11.344 -14.576
   20   2HB   LYS   5           HB3      LYS   5  -1.681 -11.041 -12.907
   21   1HG   LYS   5           HG2      LYS   5  -3.803 -11.680 -12.002
   22   2HG   LYS   5           HG3      LYS   5  -4.615 -11.436 -13.545
   23   1HD   LYS   5           HD2      LYS   5  -3.101 -13.437 -14.386
   24   2HD   LYS   5           HD3      LYS   5  -2.928 -13.766 -12.652
   25   1HE   LYS   5           HE2      LYS   5  -5.671 -13.390 -12.840
   26   2HE   LYS   5           HE3      LYS   5  -5.329 -13.938 -14.485
   27   1HZ   LYS   5           HZ1      LYS   5  -4.764 -15.365 -11.972
   28   2HZ   LYS   5           HZ2      LYS   5  -5.886 -15.758 -13.102
   29   3HZ   LYS   5           HZ3      LYS   5  -4.286 -15.909 -13.456
   30    H    TYR   6           H        TYR   6  -5.203  -8.432 -13.315
   31    HA   TYR   6           HA       TYR   6  -4.565  -6.885 -11.048
   32   1HB   TYR   6           HB2      TYR   6  -7.250  -8.013 -11.879
   33   2HB   TYR   6           HB3      TYR   6  -6.959  -6.530 -10.953
   34    HD1  TYR   6           HD1      TYR   6  -5.140  -4.941 -12.384
   35    HD2  TYR   6           HD2      TYR   6  -8.078  -7.618 -14.021
   36    HE1  TYR   6           HE1      TYR   6  -5.396  -3.450 -14.374
   37    HE2  TYR   6           HE2      TYR   6  -8.320  -6.159 -15.996
   38    HH   TYR   6           HH       TYR   6  -7.664  -4.201 -17.026
   39    H    TYR   7           H        TYR   7  -5.537  -7.184  -8.836
   40    HA   TYR   7           HA       TYR   7  -5.309 -10.052  -7.963
   41   1HB   TYR   7           HB2      TYR   7  -4.549  -7.518  -6.551
   42   2HB   TYR   7           HB3      TYR   7  -4.282  -9.160  -5.948
   43    HD1  TYR   7           HD1      TYR   7  -2.657 -10.680  -7.207
   44    HD2  TYR   7           HD2      TYR   7  -2.865  -6.436  -7.825
   45    HE1  TYR   7           HE1      TYR   7  -0.593 -10.787  -8.584
   46    HE2  TYR   7           HE2      TYR   7  -0.791  -6.533  -9.207
   47    HH   TYR   7           HH       TYR   7   1.049  -9.557  -9.645
   48    H    THR   8           H        THR   8  -6.856 -10.797  -6.587
   49    HA   THR   8           HA       THR   8  -9.296  -9.246  -6.216
   50    HB   THR   8           HB       THR   8 -10.193 -11.221  -5.249
   51    HG1  THR   8           HG1      THR   8  -7.996 -12.840  -5.172
   52   1HG2  THR   8          HG21      THR   8  -9.881 -12.880  -6.934
   53   2HG2  THR   8          HG22      THR   8  -9.651 -11.316  -7.737
   54   3HG2  THR   8          HG23      THR   8  -8.244 -12.321  -7.321
   55    H    LEU   9           H        LEU   9 -10.231  -8.742  -4.040
   56    HA   LEU   9           HA       LEU   9  -8.474  -7.589  -2.237
   57   1HB   LEU   9           HB2      LEU   9 -11.268  -7.996  -2.458
   58   2HB   LEU   9           HB3      LEU   9 -10.879  -8.714  -0.965
   59    HG   LEU   9           HG       LEU   9 -10.069  -5.875  -1.747
   60   1HD1  LEU   9          HD11      LEU   9 -11.794  -5.113  -0.189
   61   2HD1  LEU   9          HD12      LEU   9 -12.519  -6.116  -1.453
   62   3HD1  LEU   9          HD13      LEU   9 -12.255  -6.793   0.168
   63   1HD2  LEU   9          HD21      LEU   9  -9.908  -7.253   0.973
   64   2HD2  LEU   9          HD22      LEU   9  -8.516  -6.834  -0.049
   65   3HD2  LEU   9          HD23      LEU   9  -9.523  -5.554   0.632
   66    H    GLU  10           H        GLU  10  -9.684 -10.928  -2.398
   67    HA   GLU  10           HA       GLU  10  -8.651 -11.899   0.053
   68   1HB   GLU  10           HB2      GLU  10 -10.229 -13.079  -1.511
   69   2HB   GLU  10           HB3      GLU  10  -8.865 -13.447  -2.546
   70   1HG   GLU  10           HG2      GLU  10  -9.284 -15.365  -1.146
   71   2HG   GLU  10           HG3      GLU  10  -7.735 -14.665  -0.693
   72    H    GLU  11           H        GLU  11  -7.228 -12.157  -3.253
   73    HA   GLU  11           HA       GLU  11  -4.739 -13.178  -2.481
   74   1HB   GLU  11           HB2      GLU  11  -5.796 -11.693  -4.852
   75   2HB   GLU  11           HB3      GLU  11  -4.069 -11.547  -4.585
   76   1HG   GLU  11           HG2      GLU  11  -4.443 -13.436  -6.043
   77   2HG   GLU  11           HG3      GLU  11  -3.848 -14.029  -4.488
   78    H    ILE  12           H        ILE  12  -5.690  -9.712  -2.779
   79    HA   ILE  12           HA       ILE  12  -3.178  -8.758  -1.866
   80    HB   ILE  12           HB       ILE  12  -5.913  -7.412  -1.647
   81   1HG1  ILE  12          HG12      ILE  12  -5.408  -7.944  -4.019
   82   2HG1  ILE  12          HG13      ILE  12  -5.267  -6.228  -3.725
   83   1HG2  ILE  12          HG21      ILE  12  -4.601  -5.988  -0.375
   84   2HG2  ILE  12          HG22      ILE  12  -3.092  -6.466  -1.194
   85   3HG2  ILE  12          HG23      ILE  12  -4.207  -5.363  -1.992
   86   1HD1  ILE  12          HD11      ILE  12  -3.114  -8.299  -4.124
   87   2HD1  ILE  12          HD12      ILE  12  -3.369  -6.802  -5.003
   88   3HD1  ILE  12          HD13      ILE  12  -2.720  -6.716  -3.386
   89    H    GLN  13           H        GLN  13  -6.097  -9.635   0.075
   90    HA   GLN  13           HA       GLN  13  -5.062  -8.990   2.627
   91   1HB   GLN  13           HB2      GLN  13  -7.140 -10.945   1.601
   92   2HB   GLN  13           HB3      GLN  13  -6.659 -10.901   3.272
   93   1HG   GLN  13           HG2      GLN  13  -7.267  -8.193   2.358
   94   2HG   GLN  13           HG3      GLN  13  -8.581  -9.286   1.958
   95   1HE2  GLN  13          HE21      GLN  13  -7.502  -7.296   4.434
   96   2HE2  GLN  13          HE22      GLN  13  -8.425  -8.039   5.734
   97    H    LYS  14           H        LYS  14  -4.442 -11.837   0.506
   98    HA   LYS  14           HA       LYS  14  -3.167 -13.337   2.591
   99   1HB   LYS  14           HB2      LYS  14  -2.787 -13.448  -0.432
  100   2HB   LYS  14           HB3      LYS  14  -2.086 -14.595   0.692
  101   1HG   LYS  14           HG2      LYS  14  -5.062 -14.082   0.447
  102   2HG   LYS  14           HG3      LYS  14  -4.230 -15.309  -0.481
  103   1HD   LYS  14           HD2      LYS  14  -4.009 -16.743   1.283
  104   2HD   LYS  14           HD3      LYS  14  -3.652 -15.453   2.436
  105   1HE   LYS  14           HE2      LYS  14  -6.151 -14.772   2.202
  106   2HE   LYS  14           HE3      LYS  14  -6.392 -16.355   1.440
  107   1HZ   LYS  14           HZ1      LYS  14  -5.414 -15.760   4.152
  108   2HZ   LYS  14           HZ2      LYS  14  -6.876 -16.380   3.728
  109   3HZ   LYS  14           HZ3      LYS  14  -5.510 -17.291   3.532
  110    H    HIS  15           H        HIS  15  -2.144 -10.412   1.101
  111    HA   HIS  15           HA       HIS  15   0.714 -10.897   1.857
  112   1HB   HIS  15           HB2      HIS  15  -0.506  -9.048  -0.230
  113   2HB   HIS  15           HB3      HIS  15   1.158  -9.040   0.273
  114    HD1  HIS  15           HD1      HIS  15   2.430  -9.916  -1.782
  115    HD2  HIS  15           HD2      HIS  15  -1.071 -12.054  -0.896
  116    HE1  HIS  15           HE1      HIS  15   2.324 -11.854  -3.418
  117    H    ASN  16           H        ASN  16  -0.013 -10.474   4.113
  118    HA   ASN  16           HA       ASN  16   0.546  -7.683   4.749
  119   1HB   ASN  16           HB2      ASN  16  -1.500  -7.280   6.061
  120   2HB   ASN  16           HB3      ASN  16  -1.821  -7.514   4.346
  121   1HD2  ASN  16          HD21      ASN  16  -4.059  -7.778   5.406
  122   2HD2  ASN  16          HD22      ASN  16  -4.490  -9.469   5.663
  123    H    ASN  17           H        ASN  17   1.956 -10.117   5.346
  124    HA   ASN  17           HA       ASN  17   2.042  -9.941   8.274
  125   1HB   ASN  17           HB2      ASN  17   0.110 -11.411   8.050
  126   2HB   ASN  17           HB3      ASN  17   1.035 -12.481   6.983
  127   1HD2  ASN  17          HD21      ASN  17   1.050 -14.325   8.355
  128   2HD2  ASN  17          HD22      ASN  17   1.871 -14.329   9.903
  129    H    SER  18           H        SER  18   4.222  -9.287   7.641
  130    HA   SER  18           HA       SER  18   6.439  -9.656   7.212
  131   1HB   SER  18           HB2      SER  18   7.327 -11.780   8.400
  132   2HB   SER  18           HB3      SER  18   6.533 -10.540   9.370
  133    HG   SER  18           HG       SER  18   5.040 -12.690   8.324
  134    H    LYS  19           H        LYS  19   5.035 -10.048   5.019
  135    HA   LYS  19           HA       LYS  19   6.482 -12.167   3.539
  136   1HB   LYS  19           HB2      LYS  19   3.565 -12.160   4.159
  137   2HB   LYS  19           HB3      LYS  19   3.898 -12.146   2.423
  138   1HG   LYS  19           HG2      LYS  19   5.420 -14.066   2.702
  139   2HG   LYS  19           HG3      LYS  19   4.917 -14.213   4.394
  140   1HD   LYS  19           HD2      LYS  19   2.762 -14.938   3.837
  141   2HD   LYS  19           HD3      LYS  19   2.708 -13.982   2.361
  142   1HE   LYS  19           HE2      LYS  19   4.574 -15.728   1.524
  143   2HE   LYS  19           HE3      LYS  19   3.843 -16.747   2.770
  144   1HZ   LYS  19           HZ1      LYS  19   1.713 -16.370   1.630
  145   2HZ   LYS  19           HZ2      LYS  19   2.469 -15.452   0.494
  146   3HZ   LYS  19           HZ3      LYS  19   2.826 -17.047   0.624
  147    H    SER  20           H        SER  20   3.744 -10.023   2.768
  148    HA   SER  20           HA       SER  20   5.485  -8.165   1.295
  149   1HB   SER  20           HB2      SER  20   3.866 -10.183   0.036
  150   2HB   SER  20           HB3      SER  20   3.269  -8.567  -0.342
  151    HG   SER  20           HG       SER  20   5.229  -8.029  -1.243
  152    H    THR  21           H        THR  21   4.883  -6.279   2.510
  153    HA   THR  21           HA       THR  21   2.146  -5.831   3.360
  154    HB   THR  21           HB       THR  21   4.356  -3.818   2.857
  155    HG1  THR  21           HG1      THR  21   3.726  -5.407   5.131
  156   1HG2  THR  21          HG21      THR  21   3.257  -2.384   4.311
  157   2HG2  THR  21          HG22      THR  21   1.899  -3.068   3.409
  158   3HG2  THR  21          HG23      THR  21   2.322  -3.697   5.025
  159    H    TRP  22           H        TRP  22   0.854  -6.306   1.524
  160    HA   TRP  22           HA       TRP  22   0.948  -4.322  -0.715
  161   1HB   TRP  22           HB2      TRP  22  -0.603  -6.895  -0.281
  162   2HB   TRP  22           HB3      TRP  22  -0.853  -5.800  -1.631
  163    HD1  TRP  22           HD1      TRP  22   2.759  -6.073  -0.981
  164    HE1  TRP  22           HE1      TRP  22   3.896  -7.311  -2.805
  165    HE3  TRP  22           HE3      TRP  22  -1.316  -8.332  -2.912
  166    HZ2  TRP  22           HZ2      TRP  22   3.074  -9.002  -5.106
  167    HZ3  TRP  22           HZ3      TRP  22  -1.229  -9.508  -5.077
  168    HH2  TRP  22           HH2      TRP  22   1.007  -9.918  -6.172
  169    H    LEU  23           H        LEU  23  -1.454  -3.654  -1.311
  170    HA   LEU  23           HA       LEU  23  -3.516  -3.600   0.547
  171   1HB   LEU  23           HB2      LEU  23  -3.358  -1.058   1.085
  172   2HB   LEU  23           HB3      LEU  23  -2.530  -2.226   2.078
  173    HG   LEU  23           HG       LEU  23  -0.381  -1.736   0.805
  174   1HD1  LEU  23          HD11      LEU  23  -1.999   0.587  -0.259
  175   2HD1  LEU  23          HD12      LEU  23  -0.255   0.382  -0.413
  176   3HD1  LEU  23          HD13      LEU  23  -1.335  -0.733  -1.249
  177   1HD2  LEU  23          HD21      LEU  23  -0.110   0.507   1.875
  178   2HD2  LEU  23          HD22      LEU  23  -1.817   0.418   2.363
  179   3HD2  LEU  23          HD23      LEU  23  -0.660  -0.798   2.957
  180    H    ILE  24           H        ILE  24  -5.188  -1.871  -0.189
  181    HA   ILE  24           HA       ILE  24  -4.829  -1.295  -3.109
  182    HB   ILE  24           HB       ILE  24  -7.308  -1.964  -1.521
  183   1HG1  ILE  24          HG12      ILE  24  -6.546  -3.329  -4.090
  184   2HG1  ILE  24          HG13      ILE  24  -5.498  -3.667  -2.735
  185   1HG2  ILE  24          HG21      ILE  24  -7.040  -0.988  -4.399
  186   2HG2  ILE  24          HG22      ILE  24  -8.509  -1.712  -3.710
  187   3HG2  ILE  24          HG23      ILE  24  -7.911  -0.175  -3.080
  188   1HD1  ILE  24          HD11      ILE  24  -7.352  -4.367  -1.311
  189   2HD1  ILE  24          HD12      ILE  24  -8.523  -3.974  -2.586
  190   3HD1  ILE  24          HD13      ILE  24  -7.364  -5.301  -2.819
  191    H    LEU  25           H        LEU  25  -4.662   0.735  -3.584
  192    HA   LEU  25           HA       LEU  25  -5.890   2.897  -1.913
  193   1HB   LEU  25           HB2      LEU  25  -3.202   2.623  -3.244
  194   2HB   LEU  25           HB3      LEU  25  -3.955   4.200  -3.120
  195    HG   LEU  25           HG       LEU  25  -3.506   4.555  -1.061
  196   1HD1  LEU  25          HD11      LEU  25  -3.754   1.655  -0.489
  197   2HD1  LEU  25          HD12      LEU  25  -3.189   2.852   0.715
  198   3HD1  LEU  25          HD13      LEU  25  -4.789   3.009  -0.041
  199   1HD2  LEU  25          HD21      LEU  25  -1.382   3.976  -2.346
  200   2HD2  LEU  25          HD22      LEU  25  -1.256   4.113  -0.592
  201   3HD2  LEU  25          HD23      LEU  25  -1.286   2.514  -1.352
  202    H    HIS  26           H        HIS  26  -7.683   3.294  -3.121
  203    HA   HIS  26           HA       HIS  26  -8.961   4.022  -4.838
  204   1HB   HIS  26           HB2      HIS  26  -6.431   4.972  -6.200
  205   2HB   HIS  26           HB3      HIS  26  -8.078   5.556  -6.442
  206    HD1  HIS  26           HD1      HIS  26  -9.015   7.254  -4.489
  207    HD2  HIS  26           HD2      HIS  26  -5.071   5.861  -4.157
  208    HE1  HIS  26           HE1      HIS  26  -7.865   8.742  -2.761
  209    H    TYR  27           H        TYR  27  -8.624   1.382  -4.955
  210    HA   TYR  27           HA       TYR  27  -8.872  -0.427  -6.254
  211   1HB   TYR  27           HB2      TYR  27  -9.169   1.439  -8.635
  212   2HB   TYR  27           HB3      TYR  27  -9.743  -0.205  -8.473
  213    HD1  TYR  27           HD1      TYR  27 -11.867  -0.707  -7.441
  214    HD2  TYR  27           HD2      TYR  27 -10.362   3.325  -7.476
  215    HE1  TYR  27           HE1      TYR  27 -13.993   0.079  -6.498
  216    HE2  TYR  27           HE2      TYR  27 -12.503   4.118  -6.519
  217    HH   TYR  27           HH       TYR  27 -15.178   1.892  -5.716
  218    H    LYS  28           H        LYS  28  -6.060   1.093  -6.138
  219    HA   LYS  28           HA       LYS  28  -4.735  -0.523  -8.269
  220   1HB   LYS  28           HB2      LYS  28  -4.031   2.205  -7.158
  221   2HB   LYS  28           HB3      LYS  28  -3.029   1.278  -8.283
  222   1HG   LYS  28           HG2      LYS  28  -4.685   1.437 -10.008
  223   2HG   LYS  28           HG3      LYS  28  -5.910   2.063  -8.895
  224   1HD   LYS  28           HD2      LYS  28  -4.489   4.075  -8.501
  225   2HD   LYS  28           HD3      LYS  28  -3.381   3.517  -9.763
  226   1HE   LYS  28           HE2      LYS  28  -6.389   4.058 -10.101
  227   2HE   LYS  28           HE3      LYS  28  -5.127   5.215 -10.536
  228   1HZ   LYS  28           HZ1      LYS  28  -5.955   3.911 -12.433
  229   2HZ   LYS  28           HZ2      LYS  28  -4.352   3.639 -12.210
  230   3HZ   LYS  28           HZ3      LYS  28  -5.417   2.523 -11.774
  231    H    VAL  29           H        VAL  29  -2.981  -1.798  -7.602
  232    HA   VAL  29           HA       VAL  29  -2.673  -2.063  -4.686
  233    HB   VAL  29           HB       VAL  29  -1.826  -3.919  -6.920
  234   1HG1  VAL  29          HG11      VAL  29  -0.776  -4.125  -4.553
  235   2HG1  VAL  29          HG12      VAL  29  -2.394  -4.492  -3.975
  236   3HG1  VAL  29          HG13      VAL  29  -1.596  -5.548  -5.172
  237   1HG2  VAL  29          HG21      VAL  29  -3.851  -5.209  -6.354
  238   2HG2  VAL  29          HG22      VAL  29  -4.369  -3.934  -5.242
  239   3HG2  VAL  29          HG23      VAL  29  -4.281  -3.628  -6.993
  240    H    TYR  30           H        TYR  30  -0.760  -1.860  -3.675
  241    HA   TYR  30           HA       TYR  30   1.712  -1.106  -5.180
  242   1HB   TYR  30           HB2      TYR  30   0.461   0.139  -2.698
  243   2HB   TYR  30           HB3      TYR  30   2.036   0.565  -3.317
  244    HD1  TYR  30           HD1      TYR  30   2.194   1.692  -5.580
  245    HD2  TYR  30           HD2      TYR  30  -1.610   0.870  -3.761
  246    HE1  TYR  30           HE1      TYR  30   1.082   3.246  -7.183
  247    HE2  TYR  30           HE2      TYR  30  -2.707   2.409  -5.373
  248    HH   TYR  30           HH       TYR  30  -0.836   4.432  -7.608
  249    H    ASP  31           H        ASP  31   3.305  -2.608  -4.634
  250    HA   ASP  31           HA       ASP  31   3.217  -3.937  -1.963
  251   1HB   ASP  31           HB2      ASP  31   3.981  -5.342  -3.889
  252   2HB   ASP  31           HB3      ASP  31   5.312  -4.207  -4.148
  253    H    LEU  32           H        LEU  32   4.257  -2.951  -0.299
  254    HA   LEU  32           HA       LEU  32   6.520  -1.124  -0.919
  255   1HB   LEU  32           HB2      LEU  32   4.511  -0.639   1.228
  256   2HB   LEU  32           HB3      LEU  32   5.723   0.493   0.725
  257    HG   LEU  32           HG       LEU  32   3.765  -0.235  -1.452
  258   1HD1  LEU  32          HD11      LEU  32   2.886   1.644   0.705
  259   2HD1  LEU  32          HD12      LEU  32   2.006   1.071  -0.736
  260   3HD1  LEU  32          HD13      LEU  32   2.360  -0.062   0.546
  261   1HD2  LEU  32          HD21      LEU  32   5.757   1.286  -1.652
  262   2HD2  LEU  32          HD22      LEU  32   4.211   1.949  -2.188
  263   3HD2  LEU  32          HD23      LEU  32   4.893   2.438  -0.612
  264    H    THR  33           H        THR  33   6.330  -3.953  -0.196
  265    HA   THR  33           HA       THR  33   6.554  -4.297   2.641
  266    HB   THR  33           HB       THR  33   5.922  -5.976   0.772
  267    HG1  THR  33           HG1      THR  33   7.111  -7.599   2.317
  268   1HG2  THR  33          HG21      THR  33   8.862  -6.706   0.891
  269   2HG2  THR  33          HG22      THR  33   7.555  -7.519   0.010
  270   3HG2  THR  33          HG23      THR  33   8.075  -5.913  -0.496
  271    H    LYS  34           H        LYS  34   8.868  -3.832   0.061
  272    HA   LYS  34           HA       LYS  34  11.170  -3.803   1.981
  273   1HB   LYS  34           HB2      LYS  34  10.955  -3.991  -1.043
  274   2HB   LYS  34           HB3      LYS  34  12.476  -3.611  -0.220
  275   1HG   LYS  34           HG2      LYS  34  12.821  -5.706   0.479
  276   2HG   LYS  34           HG3      LYS  34  11.162  -5.912   1.042
  277   1HD   LYS  34           HD2      LYS  34  10.390  -6.403  -1.233
  278   2HD   LYS  34           HD3      LYS  34  12.035  -6.168  -1.864
  279   1HE   LYS  34           HE2      LYS  34  12.879  -8.039  -0.515
  280   2HE   LYS  34           HE3      LYS  34  11.317  -8.220   0.300
  281   1HZ   LYS  34           HZ1      LYS  34  10.345  -8.891  -1.759
  282   2HZ   LYS  34           HZ2      LYS  34  11.760  -8.666  -2.575
  283   3HZ   LYS  34           HZ3      LYS  34  11.645  -9.840  -1.430
  284    H    PHE  35           H        PHE  35   8.913  -1.903   1.995
  285    HA   PHE  35           HA       PHE  35  10.653   0.445   1.935
  286   1HB   PHE  35           HB2      PHE  35   8.789   0.086  -0.044
  287   2HB   PHE  35           HB3      PHE  35   7.811   0.790   1.174
  288    HD1  PHE  35           HD1      PHE  35   7.465   3.121   0.792
  289    HD2  PHE  35           HD2      PHE  35  11.377   1.433   0.042
  290    HE1  PHE  35           HE1      PHE  35   8.350   5.371   0.226
  291    HE2  PHE  35           HE2      PHE  35  12.251   3.665  -0.449
  292    HZ   PHE  35           HZ       PHE  35  10.746   5.650  -0.392
  293    H    LEU  36           H        LEU  36   9.077  -1.580   3.942
  294    HA   LEU  36           HA       LEU  36   7.252   0.031   5.326
  295   1HB   LEU  36           HB2      LEU  36   9.067  -2.220   6.239
  296   2HB   LEU  36           HB3      LEU  36   7.836  -1.537   7.277
  297    HG   LEU  36           HG       LEU  36   7.182  -2.734   4.544
  298   1HD1  LEU  36          HD11      LEU  36   6.449  -4.706   5.838
  299   2HD1  LEU  36          HD12      LEU  36   8.165  -4.406   6.110
  300   3HD1  LEU  36          HD13      LEU  36   6.975  -3.936   7.348
  301   1HD2  LEU  36          HD21      LEU  36   4.896  -2.827   5.767
  302   2HD2  LEU  36          HD22      LEU  36   5.565  -1.615   6.857
  303   3HD2  LEU  36          HD23      LEU  36   5.450  -1.278   5.110
  304    H    GLU  37           H        GLU  37  10.586  -0.624   6.571
  305    HA   GLU  37           HA       GLU  37  10.518   1.578   8.387
  306   1HB   GLU  37           HB2      GLU  37  12.662  -0.248   7.308
  307   2HB   GLU  37           HB3      GLU  37  13.155   1.263   8.075
  308   1HG   GLU  37           HG2      GLU  37  11.896   0.718  10.105
  309   2HG   GLU  37           HG3      GLU  37  11.366  -0.819   9.395
  310    H    GLU  38           H        GLU  38  11.497   1.346   4.986
  311    HA   GLU  38           HA       GLU  38  12.906   3.808   4.807
  312   1HB   GLU  38           HB2      GLU  38  11.309   2.318   2.722
  313   2HB   GLU  38           HB3      GLU  38  12.477   3.565   2.385
  314   1HG   GLU  38           HG2      GLU  38  13.800   1.585   4.039
  315   2HG   GLU  38           HG3      GLU  38  12.961   0.741   2.727
  316    H    HIS  39           HN       HIS  39   9.483   2.940   4.390
  317    HA   HIS  39           HA       HIS  39   8.479   5.185   3.142
  318   1HB   HIS  39           HB2      HIS  39   7.097   3.299   3.390
  319   2HB   HIS  39           HB3      HIS  39   7.255   3.302   5.152
  320    HD1  HIS  39           HND      HIS  39   5.197   4.198   6.314
  321    HD2  HIS  39           HD       HIS  39   5.840   5.765   2.462
  322    HE1  HIS  39           HE       HIS  39   3.242   5.741   5.829
  323    HA   PRO  40           HA       PRO  40   9.455   7.946   6.598
  324   1HB   PRO  40           HB2      PRO  40   9.328  10.354   5.332
  325   2HB   PRO  40           HB3      PRO  40  10.632   9.168   5.053
  326   1HG   PRO  40           HG2      PRO  40   8.201   9.667   3.372
  327   2HG   PRO  40           HG3      PRO  40   9.882   9.444   2.819
  328   1HD   PRO  40           HD2      PRO  40   7.965   7.440   2.843
  329   2HD   PRO  40           HD3      PRO  40   9.718   7.130   2.994
  330    H    GLY  41           H        GLY  41   7.347   6.899   7.268
  331   1HA   GLY  41           HA1      GLY  41   5.442   8.971   8.073
  332   2HA   GLY  41           HA2      GLY  41   4.782   7.690   7.029
  333    H    GLY  42           H        GLY  42   4.289   5.730   7.974
  334   1HA   GLY  42           HA1      GLY  42   5.608   4.958  10.520
  335   2HA   GLY  42           HA2      GLY  42   3.845   4.995  10.448
  336    H    GLU  43           H        GLU  43   6.468   2.992  10.126
  337    HA   GLU  43           HA       GLU  43   5.685   1.275   7.945
  338   1HB   GLU  43           HB2      GLU  43   7.258  -0.259   8.906
  339   2HB   GLU  43           HB3      GLU  43   7.929   1.370   8.921
  340   1HG   GLU  43           HG2      GLU  43   8.621   0.458  10.931
  341   2HG   GLU  43           HG3      GLU  43   7.268   1.477  11.415
  342    H    ALA  44           H        ALA  44   5.155   1.155  11.501
  343    HA   ALA  44           HA       ALA  44   3.525  -0.982  11.726
  344   1HB   ALA  44           HB1      ALA  44   2.481   0.138  13.683
  345   2HB   ALA  44           HB2      ALA  44   4.239   0.356  13.659
  346   3HB   ALA  44           HB3      ALA  44   3.174   1.691  13.168
  347    H    VAL  45           H        VAL  45   2.288   2.373  11.039
  348    HA   VAL  45           HA       VAL  45  -0.335   1.371  10.541
  349    HB   VAL  45           HB       VAL  45   0.048   3.714  11.114
  350   1HG1  VAL  45          HG11      VAL  45   0.608   5.345   9.397
  351   2HG1  VAL  45          HG12      VAL  45   1.941   4.205   9.612
  352   3HG1  VAL  45          HG13      VAL  45   0.874   4.066   8.195
  353   1HG2  VAL  45          HG21      VAL  45  -1.534   3.156   8.564
  354   2HG2  VAL  45          HG22      VAL  45  -2.102   2.978  10.237
  355   3HG2  VAL  45          HG23      VAL  45  -1.722   4.584   9.595
  356    H    LEU  46           H        LEU  46   2.544   1.903   8.116
  357    HA   LEU  46           HA       LEU  46   0.821   1.122   6.029
  358   1HB   LEU  46           HB2      LEU  46   3.524   1.736   6.330
  359   2HB   LEU  46           HB3      LEU  46   3.584   0.045   5.837
  360    HG   LEU  46           HG       LEU  46   1.860   2.115   4.430
  361   1HD1  LEU  46          HD11      LEU  46   4.805   1.894   4.294
  362   2HD1  LEU  46          HD12      LEU  46   3.965   1.966   2.733
  363   3HD1  LEU  46          HD13      LEU  46   3.679   3.227   3.917
  364   1HD2  LEU  46          HD21      LEU  46   3.214  -0.356   3.284
  365   2HD2  LEU  46          HD22      LEU  46   1.555  -0.382   3.932
  366   3HD2  LEU  46          HD23      LEU  46   1.947   0.658   2.569
  367    H    ARG  47           H        ARG  47   2.301  -0.938   8.509
  368    HA   ARG  47           HA       ARG  47   1.731  -3.404   7.090
  369   1HB   ARG  47           HB2      ARG  47   3.565  -2.797   8.854
  370   2HB   ARG  47           HB3      ARG  47   2.342  -3.242  10.039
  371   1HG   ARG  47           HG2      ARG  47   3.402  -4.991   7.749
  372   2HG   ARG  47           HG3      ARG  47   3.962  -5.026   9.411
  373   1HD   ARG  47           HD2      ARG  47   1.371  -5.531   9.959
  374   2HD   ARG  47           HD3      ARG  47   1.308  -5.951   8.254
  375    HE   ARG  47           HE       ARG  47   2.183  -7.946   8.748
  376   1HH1  ARG  47          HH11      ARG  47   4.028  -9.120  11.554
  377   2HH1  ARG  47          HH12      ARG  47   3.201  -9.629  10.133
  378   1HH2  ARG  47          HH21      ARG  47   3.950  -6.863  12.273
  379   2HH2  ARG  47          HH22      ARG  47   3.177  -5.701  11.241
  380    H    ALA  48           H        ALA  48   0.170  -1.539   9.676
  381    HA   ALA  48           HA       ALA  48  -1.698  -3.523  10.485
  382   1HB   ALA  48           HB1      ALA  48  -1.011  -1.483  11.762
  383   2HB   ALA  48           HB2      ALA  48  -1.949  -0.491  10.629
  384   3HB   ALA  48           HB3      ALA  48  -2.777  -1.688  11.658
  385    H    GLN  49           H        GLN  49  -1.920  -0.848   8.122
  386    HA   GLN  49           HA       GLN  49  -4.649  -1.584   7.335
  387   1HB   GLN  49           HB2      GLN  49  -2.662   0.556   6.786
  388   2HB   GLN  49           HB3      GLN  49  -3.673   0.186   5.419
  389   1HG   GLN  49           HG2      GLN  49  -4.790   0.835   8.179
  390   2HG   GLN  49           HG3      GLN  49  -4.597   1.991   6.849
  391   1HE2  GLN  49          HE21      GLN  49  -7.174   2.069   7.470
  392   2HE2  GLN  49          HE22      GLN  49  -8.095   0.980   6.454
  393    H    ALA  50           H        ALA  50  -1.522  -2.707   6.507
  394    HA   ALA  50           HA       ALA  50  -1.734  -3.202   3.823
  395   1HB   ALA  50           HB1      ALA  50   0.250  -3.641   5.163
  396   2HB   ALA  50           HB2      ALA  50  -0.480  -5.121   5.818
  397   3HB   ALA  50           HB3      ALA  50  -0.107  -4.999   4.088
  398    H    GLY  51           H        GLY  51  -2.351  -4.897   2.510
  399   1HA   GLY  51           HA1      GLY  51  -3.764  -6.466   1.661
  400   2HA   GLY  51           HA2      GLY  51  -3.672  -7.298   3.213
  401    H    GLY  52           H        GLY  52  -5.054  -4.174   2.004
  402   1HA   GLY  52           HA1      GLY  52  -7.773  -4.937   2.406
  403   2HA   GLY  52           HA2      GLY  52  -7.169  -3.999   3.796
  404    H    ASP  53           H        ASP  53  -9.102  -2.747   2.570
  405    HA   ASP  53           HA       ASP  53  -8.126  -0.949   0.488
  406   1HB   ASP  53           HB2      ASP  53 -10.720  -1.614   1.431
  407   2HB   ASP  53           HB3      ASP  53 -10.439   0.034   2.008
  408    H    ALA  54           H        ALA  54  -6.593   0.459   1.014
  409    HA   ALA  54           HA       ALA  54  -6.686   1.791   3.714
  410   1HB   ALA  54           HB1      ALA  54  -4.285   2.207   3.416
  411   2HB   ALA  54           HB2      ALA  54  -4.664   0.462   3.470
  412   3HB   ALA  54           HB3      ALA  54  -4.302   1.231   1.925
  413    H    THR  55           H        THR  55  -7.934   2.213   0.781
  414    HA   THR  55           HA       THR  55  -6.701   4.409  -0.348
  415    HB   THR  55           HB       THR  55  -9.692   3.784  -0.309
  416    HG1  THR  55           HG1      THR  55  -8.908   2.032  -1.176
  417   1HG2  THR  55          HG21      THR  55  -7.819   5.211  -2.240
  418   2HG2  THR  55          HG22      THR  55  -9.522   4.817  -2.606
  419   3HG2  THR  55          HG23      THR  55  -9.136   6.001  -1.336
  420    H    ALA  56           H        ALA  56  -9.455   4.513   1.959
  421    HA   ALA  56           HA       ALA  56  -9.536   7.328   2.243
  422   1HB   ALA  56           HB1      ALA  56 -10.833   6.875   4.275
  423   2HB   ALA  56           HB2      ALA  56 -11.364   5.877   2.908
  424   3HB   ALA  56           HB3      ALA  56 -10.372   5.158   4.198
  425    H    ASN  57           H        ASN  57  -7.803   4.840   4.097
  426    HA   ASN  57           HA       ASN  57  -6.724   6.503   6.130
  427   1HB   ASN  57           HB2      ASN  57  -6.439   3.742   5.220
  428   2HB   ASN  57           HB3      ASN  57  -4.855   4.392   5.597
  429   1HD2  ASN  57          HD21      ASN  57  -4.323   4.822   7.828
  430   2HD2  ASN  57          HD22      ASN  57  -5.434   4.385   9.108
  431    H    PHE  58           H        PHE  58  -5.392   5.529   2.982
  432    HA   PHE  58           HA       PHE  58  -2.935   6.953   3.122
  433   1HB   PHE  58           HB2      PHE  58  -3.330   5.185   1.522
  434   2HB   PHE  58           HB3      PHE  58  -4.664   6.058   0.790
  435    HD1  PHE  58           HD1      PHE  58  -1.014   6.576   1.560
  436    HD2  PHE  58           HD2      PHE  58  -4.237   7.211  -1.223
  437    HE1  PHE  58           HE1      PHE  58   0.618   7.322  -0.163
  438    HE2  PHE  58           HE2      PHE  58  -2.614   7.940  -2.938
  439    HZ   PHE  58           HZ       PHE  58  -0.176   7.994  -2.413
  440    H    GLU  59           H        GLU  59  -6.025   7.867   1.409
  441    HA   GLU  59           HA       GLU  59  -4.957  10.362   0.631
  442   1HB   GLU  59           HB2      GLU  59  -7.118  10.899  -0.216
  443   2HB   GLU  59           HB3      GLU  59  -6.743   9.198  -0.514
  444   1HG   GLU  59           HG2      GLU  59  -8.937   9.011   0.165
  445   2HG   GLU  59           HG3      GLU  59  -8.076   8.777   1.689
  446    H    ALA  60           H        ALA  60  -6.860   9.486   3.495
  447    HA   ALA  60           HA       ALA  60  -7.255  11.899   4.751
  448   1HB   ALA  60           HB1      ALA  60  -6.799  10.607   6.897
  449   2HB   ALA  60           HB2      ALA  60  -7.962   9.857   5.782
  450   3HB   ALA  60           HB3      ALA  60  -6.313   9.234   5.882
  451    H    VAL  61           H        VAL  61  -4.104  10.312   4.238
  452    HA   VAL  61           HA       VAL  61  -2.703  12.617   5.536
  453    HB   VAL  61           HB       VAL  61  -1.744   9.782   4.948
  454   1HG1  VAL  61          HG11      VAL  61  -0.283  12.293   5.866
  455   2HG1  VAL  61          HG12      VAL  61   0.294  10.678   6.286
  456   3HG1  VAL  61          HG13      VAL  61   0.193  11.147   4.595
  457   1HG2  VAL  61          HG21      VAL  61  -3.192  10.029   6.989
  458   2HG2  VAL  61          HG22      VAL  61  -1.525   9.587   7.362
  459   3HG2  VAL  61          HG23      VAL  61  -2.064  11.264   7.591
  460    H    GLY  62           H        GLY  62  -3.619  13.656   3.527
  461   1HA   GLY  62           HA1      GLY  62  -3.086  13.171   0.922
  462   2HA   GLY  62           HA2      GLY  62  -2.974  14.798   1.601
  463    H    HIS  63           HN       HIS  63  -1.234  12.223   0.156
  464    HA   HIS  63           HA       HIS  63   1.450  12.957   1.005
  465   1HB   HIS  63           HB2      HIS  63   0.297  11.041  -1.073
  466   2HB   HIS  63           HB3      HIS  63   2.013  11.294  -0.806
  467    HD1  HIS  63           HND      HIS  63  -0.857  10.283   1.669
  468    HD2  HIS  63           HD       HIS  63   3.128   9.602   0.604
  469    HE1  HIS  63           HE       HIS  63  -0.048   8.426   3.180
  470    H    SER  64           H        SER  64   3.128  13.797  -0.326
  471    HA   SER  64           HA       SER  64   2.377  15.806  -2.225
  472   1HB   SER  64           HB2      SER  64   4.274  16.002  -0.678
  473   2HB   SER  64           HB3      SER  64   5.107  14.668  -1.493
  474    HG   SER  64           HG       SER  64   5.717  16.849  -2.157
  475    H    THR  65           H        THR  65   3.752  16.019  -4.256
  476    HA   THR  65           HA       THR  65   2.832  14.301  -6.297
  477    HB   THR  65           HB       THR  65   5.319  16.033  -6.407
  478    HG1  THR  65           HG1      THR  65   3.871  17.751  -6.785
  479   1HG2  THR  65          HG21      THR  65   3.159  15.394  -8.467
  480   2HG2  THR  65          HG22      THR  65   4.549  16.470  -8.720
  481   3HG2  THR  65          HG23      THR  65   4.810  14.739  -8.451
  482    H    ASP  66           H        ASP  66   5.976  14.529  -4.613
  483    HA   ASP  66           HA       ASP  66   7.451  12.683  -6.119
  484   1HB   ASP  66           HB2      ASP  66   8.104  14.277  -4.118
  485   2HB   ASP  66           HB3      ASP  66   7.701  12.917  -3.078
  486    H    ALA  67           H        ALA  67   5.471  12.178  -3.254
  487    HA   ALA  67           HA       ALA  67   5.665   9.301  -3.111
  488   1HB   ALA  67           HB1      ALA  67   4.795  10.100  -1.159
  489   2HB   ALA  67           HB2      ALA  67   3.880  11.389  -1.948
  490   3HB   ALA  67           HB3      ALA  67   3.279   9.712  -1.980
  491    H    ARG  68           H        ARG  68   3.349  11.509  -4.673
  492    HA   ARG  68           HA       ARG  68   1.553   9.570  -5.626
  493   1HB   ARG  68           HB2      ARG  68   1.866  12.359  -5.752
  494   2HB   ARG  68           HB3      ARG  68   1.842  11.887  -7.440
  495   1HG   ARG  68           HG2      ARG  68  -0.386  11.249  -7.330
  496   2HG   ARG  68           HG3      ARG  68  -0.287  10.712  -5.644
  497   1HD   ARG  68           HD2      ARG  68  -0.156  12.973  -4.808
  498   2HD   ARG  68           HD3      ARG  68  -0.193  13.657  -6.424
  499    HE   ARG  68           HE       ARG  68  -2.379  12.540  -4.811
  500   1HH1  ARG  68          HH11      ARG  68  -4.851  13.284  -7.210
  501   2HH1  ARG  68          HH12      ARG  68  -4.545  12.794  -5.576
  502   1HH2  ARG  68          HH21      ARG  68  -3.014  13.700  -8.673
  503   2HH2  ARG  68          HH22      ARG  68  -1.406  13.432  -8.072
  504    H    GLU  69           H        GLU  69   4.653  10.660  -6.912
  505    HA   GLU  69           HA       GLU  69   4.458   9.130  -9.417
  506   1HB   GLU  69           HB2      GLU  69   6.285  11.056  -8.093
  507   2HB   GLU  69           HB3      GLU  69   7.044   9.968  -9.241
  508   1HG   GLU  69           HG2      GLU  69   4.499  11.492  -9.954
  509   2HG   GLU  69           HG3      GLU  69   6.099  12.221 -10.103
  510    H    LEU  70           H        LEU  70   6.247   8.939  -6.349
  511    HA   LEU  70           HA       LEU  70   7.764   6.690  -6.877
  512   1HB   LEU  70           HB2      LEU  70   8.083   8.280  -5.045
  513   2HB   LEU  70           HB3      LEU  70   6.619   7.662  -4.277
  514    HG   LEU  70           HG       LEU  70   7.652   5.984  -3.256
  515   1HD1  LEU  70          HD11      LEU  70   9.308   5.644  -5.749
  516   2HD1  LEU  70          HD12      LEU  70   9.541   4.675  -4.274
  517   3HD1  LEU  70          HD13      LEU  70   7.969   4.663  -5.090
  518   1HD2  LEU  70          HD21      LEU  70   9.983   6.433  -2.680
  519   2HD2  LEU  70          HD22      LEU  70  10.140   7.541  -4.058
  520   3HD2  LEU  70          HD23      LEU  70   9.057   7.948  -2.706
  521    H    SER  71           H        SER  71   4.698   6.839  -5.153
  522    HA   SER  71           HA       SER  71   3.933   4.202  -4.897
  523   1HB   SER  71           HB2      SER  71   1.599   4.955  -5.189
  524   2HB   SER  71           HB3      SER  71   2.554   6.024  -4.141
  525    HG   SER  71           HG       SER  71   2.742   7.480  -5.764
  526    H    LYS  72           H        LYS  72   3.558   6.074  -8.005
  527    HA   LYS  72           HA       LYS  72   2.553   3.891  -9.510
  528   1HB   LYS  72           HB2      LYS  72   4.298   6.213 -10.436
  529   2HB   LYS  72           HB3      LYS  72   3.533   5.068 -11.502
  530   1HG   LYS  72           HG2      LYS  72   1.982   6.800  -9.510
  531   2HG   LYS  72           HG3      LYS  72   2.342   7.227 -11.186
  532   1HD   LYS  72           HD2      LYS  72   1.310   4.944 -11.835
  533   2HD   LYS  72           HD3      LYS  72   0.649   4.902 -10.185
  534   1HE   LYS  72           HE2      LYS  72  -0.598   6.964 -10.577
  535   2HE   LYS  72           HE3      LYS  72   0.209   7.216 -12.136
  536   1HZ   LYS  72           HZ1      LYS  72  -1.557   4.956 -11.529
  537   2HZ   LYS  72           HZ2      LYS  72  -1.961   6.287 -12.426
  538   3HZ   LYS  72           HZ3      LYS  72  -0.809   5.244 -12.967
  539    H    THR  73           H        THR  73   5.938   4.812  -8.799
  540    HA   THR  73           HA       THR  73   7.143   2.714 -10.363
  541    HB   THR  73           HB       THR  73   8.094   4.620  -8.230
  542    HG1  THR  73           HG1      THR  73   9.408   5.203  -9.944
  543   1HG2  THR  73          HG21      THR  73   9.261   2.609  -7.545
  544   2HG2  THR  73          HG22      THR  73   9.736   2.272  -9.229
  545   3HG2  THR  73          HG23      THR  73  10.368   3.702  -8.381
  546    H    PHE  74           H        PHE  74   5.561   2.713  -7.285
  547    HA   PHE  74           HA       PHE  74   6.461  -0.093  -6.741
  548   1HB   PHE  74           HB2      PHE  74   4.958   1.945  -5.065
  549   2HB   PHE  74           HB3      PHE  74   5.079   0.252  -4.620
  550    HD1  PHE  74           HD1      PHE  74   6.438   3.242  -3.727
  551    HD2  PHE  74           HD2      PHE  74   7.580  -0.766  -4.828
  552    HE1  PHE  74           HE1      PHE  74   8.515   3.446  -2.381
  553    HE2  PHE  74           HE2      PHE  74   9.707  -0.502  -3.591
  554    HZ   PHE  74           HZ       PHE  74  10.170   1.600  -2.363
  555    H    ILE  75           H        ILE  75   4.194   1.264  -8.725
  556    HA   ILE  75           HA       ILE  75   1.868  -0.169  -7.856
  557    HB   ILE  75           HB       ILE  75   2.200   1.777  -9.609
  558   1HG1  ILE  75          HG12      ILE  75  -0.008  -0.260  -9.438
  559   2HG1  ILE  75          HG13      ILE  75   0.232   1.271  -8.553
  560   1HG2  ILE  75          HG21      ILE  75   3.318   0.311 -11.326
  561   2HG2  ILE  75          HG22      ILE  75   1.796  -0.611 -11.443
  562   3HG2  ILE  75          HG23      ILE  75   1.861   1.106 -11.904
  563   1HD1  ILE  75          HD11      ILE  75  -1.415   1.674 -10.201
  564   2HD1  ILE  75          HD12      ILE  75   0.087   2.511 -10.674
  565   3HD1  ILE  75          HD13      ILE  75  -0.399   0.993 -11.488
  566    H    ILE  76           H        ILE  76   1.424  -2.304  -7.994
  567    HA   ILE  76           HA       ILE  76   3.244  -4.051  -9.643
  568    HB   ILE  76           HB       ILE  76   2.333  -5.846  -8.126
  569   1HG1  ILE  76          HG12      ILE  76   1.566  -3.532  -6.293
  570   2HG1  ILE  76          HG13      ILE  76   0.392  -4.394  -7.287
  571   1HG2  ILE  76          HG21      ILE  76   3.846  -4.740  -6.153
  572   2HG2  ILE  76          HG22      ILE  76   4.526  -5.357  -7.666
  573   3HG2  ILE  76          HG23      ILE  76   4.243  -3.622  -7.451
  574   1HD1  ILE  76          HD11      ILE  76   1.104  -5.132  -4.764
  575   2HD1  ILE  76          HD12      ILE  76   0.453  -6.247  -5.996
  576   3HD1  ILE  76          HD13      ILE  76   2.198  -6.150  -5.700
  577    H    GLY  77           H        GLY  77   0.026  -2.785  -9.472
  578   1HA   GLY  77           HA1      GLY  77  -0.843  -3.461 -11.911
  579   2HA   GLY  77           HA2      GLY  77  -1.220  -4.937 -10.990
  580    H    GLU  78           H        GLU  78  -3.447  -4.672 -10.840
  581    HA   GLU  78           HA       GLU  78  -4.431  -2.377  -9.366
  582   1HB   GLU  78           HB2      GLU  78  -4.741  -2.759 -12.226
  583   2HB   GLU  78           HB3      GLU  78  -6.306  -2.558 -11.447
  584   1HG   GLU  78           HG2      GLU  78  -5.745  -0.439 -10.617
  585   2HG   GLU  78           HG3      GLU  78  -3.992  -0.694 -10.809
  586    H    LEU  79           H        LEU  79  -6.829  -2.576  -8.987
  587    HA   LEU  79           HA       LEU  79  -7.223  -5.024  -7.487
  588   1HB   LEU  79           HB2      LEU  79  -8.034  -2.826  -6.719
  589   2HB   LEU  79           HB3      LEU  79  -9.004  -2.680  -8.183
  590    HG   LEU  79           HG       LEU  79 -10.183  -4.902  -7.346
  591   1HD1  LEU  79          HD11      LEU  79  -9.551  -5.712  -5.360
  592   2HD1  LEU  79          HD12      LEU  79  -8.394  -4.398  -5.120
  593   3HD1  LEU  79          HD13      LEU  79 -10.075  -4.198  -4.602
  594   1HD2  LEU  79          HD21      LEU  79 -11.840  -3.541  -6.268
  595   2HD2  LEU  79          HD22      LEU  79 -10.671  -2.218  -6.069
  596   3HD2  LEU  79          HD23      LEU  79 -11.184  -2.755  -7.697
  597    H    HIS  80           H        HIS  80  -8.365  -6.833  -8.087
  598    HA   HIS  80           HA       HIS  80  -8.990  -7.399 -10.738
  599   1HB   HIS  80           HB2      HIS  80  -8.672  -8.934  -8.686
  600   2HB   HIS  80           HB3      HIS  80 -10.410  -8.771  -8.449
  601    HD1  HIS  80           HD1      HIS  80 -11.783 -10.476  -9.969
  602    HD2  HIS  80           HD2      HIS  80  -7.734 -10.064 -10.982
  603    HE1  HIS  80           HE1      HIS  80 -11.310 -12.218 -11.742
  604    HA   PRO  81           HA       PRO  81 -12.909  -5.488 -11.452
  605   1HB   PRO  81           HB2      PRO  81 -13.796  -6.867 -13.645
  606   2HB   PRO  81           HB3      PRO  81 -12.499  -5.638 -13.677
  607   1HG   PRO  81           HG2      PRO  81 -12.175  -8.646 -13.477
  608   2HG   PRO  81           HG3      PRO  81 -11.335  -7.526 -14.597
  609   1HD   PRO  81           HD2      PRO  81 -10.177  -8.368 -12.346
  610   2HD   PRO  81           HD3      PRO  81 -10.000  -6.657 -12.838
  611    H    ASP  82           H        ASP  82 -12.551  -8.685 -10.306
  612    HA   ASP  82           HA       ASP  82 -15.421  -9.282 -10.131
  613   1HB   ASP  82           HB2      ASP  82 -13.610 -11.033 -10.421
  614   2HB   ASP  82           HB3      ASP  82 -13.131 -10.687  -8.718
  615    H    ASP  83           H        ASP  83 -12.962  -7.627  -8.238
  616    HA   ASP  83           HA       ASP  83 -14.285  -7.872  -5.650
  617   1HB   ASP  83           HB2      ASP  83 -11.911  -7.660  -5.708
  618   2HB   ASP  83           HB3      ASP  83 -11.997  -6.222  -6.751
  619    H    ARG  84           H        ARG  84 -13.757  -5.291  -8.012
  620    HA   ARG  84           HA       ARG  84 -15.193  -3.287  -6.657
  621   1HB   ARG  84           HB2      ARG  84 -14.941  -1.978  -8.682
  622   2HB   ARG  84           HB3      ARG  84 -13.459  -2.893  -8.362
  623   1HG   ARG  84           HG2      ARG  84 -14.347  -4.659 -10.007
  624   2HG   ARG  84           HG3      ARG  84 -15.656  -3.552 -10.384
  625   1HD   ARG  84           HD2      ARG  84 -13.973  -3.308 -12.069
  626   2HD   ARG  84           HD3      ARG  84 -14.076  -1.828 -11.084
  627    HE   ARG  84           HE       ARG  84 -12.047  -3.655 -10.088
  628   1HH1  ARG  84          HH11      ARG  84  -9.367  -1.802 -11.503
  629   2HH1  ARG  84          HH12      ARG  84  -9.767  -3.191 -10.554
  630   1HH2  ARG  84          HH21      ARG  84 -11.047  -0.819 -12.854
  631   2HH2  ARG  84          HH22      ARG  84 -12.700  -1.305 -12.622
  632    HHA  HEM 201           HGM      HEM 201   4.849  11.005   4.988
  633    HHB  HEM 201           HDM      HEM 201   5.929   7.813  -0.513
  634    HHC  HEM 201           HAM      HEM 201   0.903   3.989   0.777
  635    HHD  HEM 201           HBM      HEM 201   0.258   6.778   6.581
  636   1HMA  HEM 201          HM81      HEM 201   8.093  10.660   0.845
  637   2HMA  HEM 201          HM82      HEM 201   7.732   9.184  -0.041
  638   3HMA  HEM 201          HM83      HEM 201   6.827  10.679  -0.387
  639   1HAA  HEM 201          HAA1      HEM 201   6.755  11.924   3.826
  640   2HAA  HEM 201          HAA2      HEM 201   7.109  12.202   2.122
  641   1HBA  HEM 201          HBA1      HEM 201   5.578  13.875   3.090
  642   2HBA  HEM 201          HBA2      HEM 201   4.364  12.635   3.373
  643   1HMB  HEM 201          HM11      HEM 201   4.835   6.722  -2.722
  644   2HMB  HEM 201          HM12      HEM 201   5.963   5.647  -1.870
  645   3HMB  HEM 201          HM13      HEM 201   4.623   4.964  -2.788
  646    HAB  HEM 201          HT2A      HEM 201   2.427   3.045  -1.362
  647   1HBB  HEM 201          HV2C      HEM 201   0.968   5.452  -2.436
  648   2HBB  HEM 201          HV2T      HEM 201   0.834   3.647  -2.932
  649   1HMC  HEM 201          HM31      HEM 201  -0.705   2.437   3.164
  650   2HMC  HEM 201          HM32      HEM 201  -2.080   3.556   3.094
  651   3HMC  HEM 201          HM33      HEM 201  -1.055   3.340   1.671
  652    HAC  HEM 201          HT4A      HEM 201  -1.416   3.786   5.932
  653   1HBC  HEM 201          HV4C      HEM 201  -2.126   6.740   5.449
  654   2HBC  HEM 201          HV4T      HEM 201  -2.949   5.560   6.626
  655   1HMD  HEM 201          HM51      HEM 201   1.009   7.689   8.460
  656   2HMD  HEM 201          HM52      HEM 201   2.168   8.849   9.086
  657   3HMD  HEM 201          HM53      HEM 201   0.637   9.425   8.404
  658   1HAD  HEM 201          HAD1      HEM 201   3.514  10.573   8.506
  659   2HAD  HEM 201          HAD2      HEM 201   4.656  10.933   7.235
  660   1HBD  HEM 201          HBD1      HEM 201   2.671  12.298   6.231
  661   2HBD  HEM 201          HBD2      HEM 201   2.071  12.234   7.898
  Start of MODEL   12
    1   1H    ALA   3           H1       ALA   3   3.211  -6.783 -18.538
    2   2H    ALA   3           H2       ALA   3   2.601  -8.246 -18.902
    3   3H    ALA   3           H3       ALA   3   3.146  -7.275 -20.137
    4    HA   ALA   3           HA       ALA   3   0.631  -7.401 -19.641
    5   1HB   ALA   3           HB1      ALA   3   0.336  -5.027 -20.242
    6   2HB   ALA   3           HB2      ALA   3   2.038  -4.697 -19.856
    7   3HB   ALA   3           HB3      ALA   3   1.617  -5.761 -21.219
    8    H    VAL   4           H        VAL   4  -0.893  -5.759 -18.357
    9    HA   VAL   4           HA       VAL   4   0.068  -5.480 -15.545
   10    HB   VAL   4           HB       VAL   4  -2.333  -4.293 -17.009
   11   1HG1  VAL   4          HG11      VAL   4  -1.470  -4.038 -14.095
   12   2HG1  VAL   4          HG12      VAL   4  -2.689  -3.017 -14.883
   13   3HG1  VAL   4          HG13      VAL   4  -2.988  -4.745 -14.696
   14   1HG2  VAL   4          HG21      VAL   4  -0.189  -3.172 -17.557
   15   2HG2  VAL   4          HG22      VAL   4  -1.198  -2.134 -16.544
   16   3HG2  VAL   4          HG23      VAL   4   0.172  -3.005 -15.826
   17    H    LYS   5           H        LYS   5  -1.193  -6.575 -13.930
   18    HA   LYS   5           HA       LYS   5  -3.315  -8.398 -14.823
   19   1HB   LYS   5           HB2      LYS   5  -1.353  -9.777 -15.008
   20   2HB   LYS   5           HB3      LYS   5  -0.758  -9.284 -13.414
   21   1HG   LYS   5           HG2      LYS   5  -2.370 -10.532 -12.265
   22   2HG   LYS   5           HG3      LYS   5  -3.469 -10.626 -13.653
   23   1HD   LYS   5           HD2      LYS   5  -2.142 -12.149 -14.845
   24   2HD   LYS   5           HD3      LYS   5  -0.727 -11.927 -13.815
   25   1HE   LYS   5           HE2      LYS   5  -3.369 -13.111 -12.814
   26   2HE   LYS   5           HE3      LYS   5  -2.068 -14.094 -13.500
   27   1HZ   LYS   5           HZ1      LYS   5  -1.931 -14.018 -11.124
   28   2HZ   LYS   5           HZ2      LYS   5  -0.608 -13.301 -11.782
   29   3HZ   LYS   5           HZ3      LYS   5  -1.802 -12.380 -11.120
   30    H    TYR   6           H        TYR   6  -4.811  -8.715 -13.199
   31    HA   TYR   6           HA       TYR   6  -4.729  -6.662 -11.084
   32   1HB   TYR   6           HB2      TYR   6  -7.016  -8.373 -12.077
   33   2HB   TYR   6           HB3      TYR   6  -7.055  -6.984 -10.980
   34    HD1  TYR   6           HD1      TYR   6  -6.432  -8.012 -14.530
   35    HD2  TYR   6           HD2      TYR   6  -7.190  -4.754 -11.816
   36    HE1  TYR   6           HE1      TYR   6  -6.506  -6.430 -16.438
   37    HE2  TYR   6           HE2      TYR   6  -7.372  -3.203 -13.730
   38    HH   TYR   6           HH       TYR   6  -6.968  -2.916 -15.959
   39    H    TYR   7           H        TYR   7  -5.624  -7.184  -8.945
   40    HA   TYR   7           HA       TYR   7  -5.300 -10.033  -8.122
   41   1HB   TYR   7           HB2      TYR   7  -4.398  -7.661  -6.477
   42   2HB   TYR   7           HB3      TYR   7  -4.137  -9.362  -6.148
   43    HD1  TYR   7           HD1      TYR   7  -3.026  -6.380  -7.944
   44    HD2  TYR   7           HD2      TYR   7  -2.444 -10.634  -7.612
   45    HE1  TYR   7           HE1      TYR   7  -0.995  -6.204  -9.297
   46    HE2  TYR   7           HE2      TYR   7  -0.377 -10.445  -8.991
   47    HH   TYR   7           HH       TYR   7   0.676  -7.327 -10.426
   48    H    THR   8           H        THR   8  -6.821 -10.748  -6.648
   49    HA   THR   8           HA       THR   8  -9.216  -9.151  -6.247
   50    HB   THR   8           HB       THR   8  -9.744 -11.443  -5.048
   51    HG1  THR   8           HG1      THR   8  -8.262 -13.057  -5.545
   52   1HG2  THR   8          HG21      THR   8  -9.091 -11.350  -8.036
   53   2HG2  THR   8          HG22      THR   8 -10.154 -12.532  -7.244
   54   3HG2  THR   8          HG23      THR   8 -10.619 -10.824  -7.290
   55    H    LEU   9           H        LEU   9 -10.019  -8.599  -4.202
   56    HA   LEU   9           HA       LEU   9  -8.283  -7.462  -2.406
   57   1HB   LEU   9           HB2      LEU   9 -10.910  -7.447  -2.743
   58   2HB   LEU   9           HB3      LEU   9 -10.927  -8.521  -1.375
   59    HG   LEU   9           HG       LEU   9  -9.384  -5.879  -1.300
   60   1HD1  LEU   9          HD11      LEU   9 -12.325  -6.274  -0.664
   61   2HD1  LEU   9          HD12      LEU   9 -11.365  -4.829  -0.268
   62   3HD1  LEU   9          HD13      LEU   9 -11.627  -5.278  -1.957
   63   1HD2  LEU   9          HD21      LEU   9 -10.669  -7.563   0.897
   64   2HD2  LEU   9          HD22      LEU   9  -8.927  -7.458   0.558
   65   3HD2  LEU   9          HD23      LEU   9  -9.798  -6.034   1.131
   66    H    GLU  10           H        GLU  10  -9.799 -10.614  -2.166
   67    HA   GLU  10           HA       GLU  10  -8.825 -11.637   0.216
   68   1HB   GLU  10           HB2      GLU  10 -10.369 -12.746  -1.423
   69   2HB   GLU  10           HB3      GLU  10  -8.974 -13.186  -2.396
   70   1HG   GLU  10           HG2      GLU  10  -9.641 -15.071  -1.019
   71   2HG   GLU  10           HG3      GLU  10  -8.054 -14.504  -0.490
   72    H    GLU  11           H        GLU  11  -7.203 -12.088  -2.934
   73    HA   GLU  11           HA       GLU  11  -4.843 -13.249  -1.881
   74   1HB   GLU  11           HB2      GLU  11  -5.790 -12.404  -4.494
   75   2HB   GLU  11           HB3      GLU  11  -4.140 -11.823  -4.277
   76   1HG   GLU  11           HG2      GLU  11  -4.198 -14.074  -5.286
   77   2HG   GLU  11           HG3      GLU  11  -3.375 -14.088  -3.719
   78    H    ILE  12           H        ILE  12  -5.571  -9.833  -2.648
   79    HA   ILE  12           HA       ILE  12  -3.022  -8.823  -1.846
   80    HB   ILE  12           HB       ILE  12  -5.739  -7.474  -1.654
   81   1HG1  ILE  12          HG12      ILE  12  -3.724  -7.210  -3.939
   82   2HG1  ILE  12          HG13      ILE  12  -5.016  -8.385  -4.000
   83   1HG2  ILE  12          HG21      ILE  12  -4.623  -5.384  -1.587
   84   2HG2  ILE  12          HG22      ILE  12  -3.701  -6.360  -0.449
   85   3HG2  ILE  12          HG23      ILE  12  -3.076  -6.089  -2.077
   86   1HD1  ILE  12          HD11      ILE  12  -5.395  -5.393  -3.760
   87   2HD1  ILE  12          HD12      ILE  12  -5.724  -6.398  -5.176
   88   3HD1  ILE  12          HD13      ILE  12  -6.700  -6.606  -3.733
   89    H    GLN  13           H        GLN  13  -5.956  -9.497   0.048
   90    HA   GLN  13           HA       GLN  13  -5.177  -8.568   2.549
   91   1HB   GLN  13           HB2      GLN  13  -7.264 -10.270   1.491
   92   2HB   GLN  13           HB3      GLN  13  -6.636 -11.010   2.953
   93   1HG   GLN  13           HG2      GLN  13  -7.509  -8.093   2.751
   94   2HG   GLN  13           HG3      GLN  13  -8.592  -9.429   3.165
   95   1HE2  GLN  13          HE21      GLN  13  -9.032  -8.506   5.260
   96   2HE2  GLN  13          HE22      GLN  13  -7.827  -8.625   6.531
   97    H    LYS  14           H        LYS  14  -4.540 -11.826   1.151
   98    HA   LYS  14           HA       LYS  14  -3.164 -12.879   3.364
   99   1HB   LYS  14           HB2      LYS  14  -2.403 -13.331   0.449
  100   2HB   LYS  14           HB3      LYS  14  -2.019 -14.339   1.847
  101   1HG   LYS  14           HG2      LYS  14  -4.673 -14.422   2.136
  102   2HG   LYS  14           HG3      LYS  14  -4.649 -13.958   0.425
  103   1HD   LYS  14           HD2      LYS  14  -3.010 -15.874   0.036
  104   2HD   LYS  14           HD3      LYS  14  -3.335 -16.388   1.711
  105   1HE   LYS  14           HE2      LYS  14  -5.790 -16.556   1.118
  106   2HE   LYS  14           HE3      LYS  14  -5.389 -16.095  -0.543
  107   1HZ   LYS  14           HZ1      LYS  14  -4.452 -18.522   0.823
  108   2HZ   LYS  14           HZ2      LYS  14  -5.580 -18.428  -0.377
  109   3HZ   LYS  14           HZ3      LYS  14  -4.020 -18.045  -0.705
  110    H    HIS  15           H        HIS  15  -2.076 -10.465   1.073
  111    HA   HIS  15           HA       HIS  15   0.746 -10.565   2.038
  112   1HB   HIS  15           HB2      HIS  15  -0.609  -9.101  -0.236
  113   2HB   HIS  15           HB3      HIS  15   1.027  -8.740   0.331
  114    HD1  HIS  15           HD1      HIS  15   2.727  -9.841  -1.268
  115    HD2  HIS  15           HD2      HIS  15  -0.833 -12.025  -0.795
  116    HE1  HIS  15           HE1      HIS  15   2.950 -11.905  -2.717
  117    H    ASN  16           H        ASN  16  -0.372 -10.160   4.150
  118    HA   ASN  16           HA       ASN  16  -0.495  -7.217   4.663
  119   1HB   ASN  16           HB2      ASN  16  -1.927  -7.525   6.530
  120   2HB   ASN  16           HB3      ASN  16  -2.701  -8.187   5.096
  121   1HD2  ASN  16          HD21      ASN  16  -2.381 -10.601   4.808
  122   2HD2  ASN  16          HD22      ASN  16  -2.390 -11.643   6.207
  123    H    ASN  17           H        ASN  17   1.868  -8.126   4.406
  124    HA   ASN  17           HA       ASN  17   3.846  -7.667   5.502
  125   1HB   ASN  17           HB2      ASN  17   2.582  -6.830   7.524
  126   2HB   ASN  17           HB3      ASN  17   2.672  -8.475   8.174
  127   1HD2  ASN  17          HD21      ASN  17   4.367  -8.871   9.531
  128   2HD2  ASN  17          HD22      ASN  17   5.884  -7.993   9.462
  129    H    SER  18           H        SER  18   1.931 -10.459   6.680
  130    HA   SER  18           HA       SER  18   3.760 -12.310   7.262
  131   1HB   SER  18           HB2      SER  18   1.303 -12.882   5.566
  132   2HB   SER  18           HB3      SER  18   2.023 -13.894   6.841
  133    HG   SER  18           HG       SER  18   0.191 -12.620   7.568
  134    H    LYS  19           H        LYS  19   3.139 -11.209   3.968
  135    HA   LYS  19           HA       LYS  19   5.366 -12.945   3.040
  136   1HB   LYS  19           HB2      LYS  19   3.170 -13.889   2.297
  137   2HB   LYS  19           HB3      LYS  19   2.864 -12.406   1.377
  138   1HG   LYS  19           HG2      LYS  19   4.903 -12.803   0.037
  139   2HG   LYS  19           HG3      LYS  19   5.318 -14.198   1.056
  140   1HD   LYS  19           HD2      LYS  19   3.224 -15.339   0.374
  141   2HD   LYS  19           HD3      LYS  19   2.807 -13.957  -0.654
  142   1HE   LYS  19           HE2      LYS  19   4.948 -14.331  -1.948
  143   2HE   LYS  19           HE3      LYS  19   5.267 -15.759  -0.948
  144   1HZ   LYS  19           HZ1      LYS  19   4.251 -16.346  -3.024
  145   2HZ   LYS  19           HZ2      LYS  19   3.226 -16.717  -1.793
  146   3HZ   LYS  19           HZ3      LYS  19   2.945 -15.389  -2.726
  147    H    SER  20           H        SER  20   3.254 -10.253   1.893
  148    HA   SER  20           HA       SER  20   5.573  -8.470   2.045
  149   1HB   SER  20           HB2      SER  20   3.491  -8.435  -0.171
  150   2HB   SER  20           HB3      SER  20   4.667  -7.167   0.122
  151    HG   SER  20           HG       SER  20   5.528  -8.236  -1.444
  152    H    THR  21           H        THR  21   4.690  -6.240   2.420
  153    HA   THR  21           HA       THR  21   1.858  -5.995   3.278
  154    HB   THR  21           HB       THR  21   4.255  -4.128   3.196
  155    HG1  THR  21           HG1      THR  21   2.597  -5.181   5.239
  156   1HG2  THR  21          HG21      THR  21   2.647  -2.544   2.680
  157   2HG2  THR  21          HG22      THR  21   1.344  -3.398   3.502
  158   3HG2  THR  21          HG23      THR  21   2.581  -2.543   4.447
  159    H    TRP  22           H        TRP  22   0.577  -6.307   1.486
  160    HA   TRP  22           HA       TRP  22   0.907  -4.429  -0.788
  161   1HB   TRP  22           HB2      TRP  22  -0.844  -6.892  -0.471
  162   2HB   TRP  22           HB3      TRP  22  -0.910  -5.745  -1.799
  163    HD1  TRP  22           HD1      TRP  22   2.624  -6.301  -1.091
  164    HE1  TRP  22           HE1      TRP  22   3.686  -7.759  -2.772
  165    HE3  TRP  22           HE3      TRP  22  -1.628  -8.013  -3.351
  166    HZ2  TRP  22           HZ2      TRP  22   2.817  -9.615  -4.901
  167    HZ3  TRP  22           HZ3      TRP  22  -1.483  -9.632  -5.208
  168    HH2  TRP  22           HH2      TRP  22   0.735 -10.436  -6.007
  169    H    LEU  23           H        LEU  23  -1.276  -3.446  -1.407
  170    HA   LEU  23           HA       LEU  23  -3.464  -3.359   0.329
  171   1HB   LEU  23           HB2      LEU  23  -3.106  -0.940   1.159
  172   2HB   LEU  23           HB3      LEU  23  -2.338  -2.256   2.009
  173    HG   LEU  23           HG       LEU  23  -0.202  -1.756   0.593
  174   1HD1  LEU  23          HD11      LEU  23  -1.682   0.856   0.290
  175   2HD1  LEU  23          HD12      LEU  23  -0.006   0.540  -0.198
  176   3HD1  LEU  23          HD13      LEU  23  -1.333  -0.240  -1.069
  177   1HD2  LEU  23          HD21      LEU  23  -1.270   0.203   2.629
  178   2HD2  LEU  23          HD22      LEU  23  -0.324  -1.268   2.956
  179   3HD2  LEU  23          HD23      LEU  23   0.422   0.075   2.064
  180    H    ILE  24           H        ILE  24  -4.851  -1.340  -0.282
  181    HA   ILE  24           HA       ILE  24  -4.664  -1.015  -3.251
  182    HB   ILE  24           HB       ILE  24  -7.077  -1.436  -1.470
  183   1HG1  ILE  24          HG12      ILE  24  -6.294  -3.097  -3.886
  184   2HG1  ILE  24          HG13      ILE  24  -5.536  -3.417  -2.328
  185   1HG2  ILE  24          HG21      ILE  24  -8.369  -1.376  -3.646
  186   2HG2  ILE  24          HG22      ILE  24  -7.687   0.187  -3.217
  187   3HG2  ILE  24          HG23      ILE  24  -6.896  -0.814  -4.453
  188   1HD1  ILE  24          HD11      ILE  24  -8.558  -3.418  -2.745
  189   2HD1  ILE  24          HD12      ILE  24  -7.521  -4.844  -2.594
  190   3HD1  ILE  24          HD13      ILE  24  -7.705  -3.741  -1.232
  191    H    LEU  25           H        LEU  25  -4.167   1.073  -3.705
  192    HA   LEU  25           HA       LEU  25  -5.527   3.278  -2.193
  193   1HB   LEU  25           HB2      LEU  25  -2.771   3.191  -3.427
  194   2HB   LEU  25           HB3      LEU  25  -3.660   4.640  -3.033
  195    HG   LEU  25           HG       LEU  25  -3.098   4.709  -0.979
  196   1HD1  LEU  25          HD11      LEU  25  -3.051   2.888   0.633
  197   2HD1  LEU  25          HD12      LEU  25  -4.571   3.027  -0.259
  198   3HD1  LEU  25          HD13      LEU  25  -3.414   1.740  -0.680
  199   1HD2  LEU  25          HD21      LEU  25  -0.968   4.279  -2.073
  200   2HD2  LEU  25          HD22      LEU  25  -0.916   3.684  -0.410
  201   3HD2  LEU  25          HD23      LEU  25  -1.090   2.540  -1.745
  202    H    HIS  26           H        HIS  26  -7.231   3.659  -3.466
  203    HA   HIS  26           HA       HIS  26  -8.458   4.361  -5.196
  204   1HB   HIS  26           HB2      HIS  26  -5.943   5.185  -6.624
  205   2HB   HIS  26           HB3      HIS  26  -7.592   5.722  -6.936
  206    HD1  HIS  26           HD1      HIS  26  -8.687   7.318  -4.857
  207    HD2  HIS  26           HD2      HIS  26  -4.591   6.441  -4.881
  208    HE1  HIS  26           HE1      HIS  26  -7.574   9.083  -3.387
  209    H    TYR  27           H        TYR  27  -8.393   1.809  -5.115
  210    HA   TYR  27           HA       TYR  27  -8.631  -0.180  -6.156
  211   1HB   TYR  27           HB2      TYR  27  -8.993   1.489  -8.667
  212   2HB   TYR  27           HB3      TYR  27  -9.528  -0.169  -8.420
  213    HD1  TYR  27           HD1      TYR  27 -11.162   2.243  -9.356
  214    HD2  TYR  27           HD2      TYR  27 -10.749   0.186  -5.583
  215    HE1  TYR  27           HE1      TYR  27 -13.557   2.637  -8.860
  216    HE2  TYR  27           HE2      TYR  27 -13.119   0.587  -5.105
  217    HH   TYR  27           HH       TYR  27 -15.131   1.407  -5.914
  218    H    LYS  28           H        LYS  28  -5.826   1.011  -6.107
  219    HA   LYS  28           HA       LYS  28  -4.671  -0.652  -8.250
  220   1HB   LYS  28           HB2      LYS  28  -4.917   1.831  -8.582
  221   2HB   LYS  28           HB3      LYS  28  -3.668   2.071  -7.352
  222   1HG   LYS  28           HG2      LYS  28  -2.016   1.483  -8.830
  223   2HG   LYS  28           HG3      LYS  28  -2.949   0.095  -9.424
  224   1HD   LYS  28           HD2      LYS  28  -2.640   1.472 -11.252
  225   2HD   LYS  28           HD3      LYS  28  -4.333   1.570 -10.843
  226   1HE   LYS  28           HE2      LYS  28  -2.308   3.690  -9.991
  227   2HE   LYS  28           HE3      LYS  28  -3.190   3.729 -11.528
  228   1HZ   LYS  28           HZ1      LYS  28  -4.465   3.745  -8.876
  229   2HZ   LYS  28           HZ2      LYS  28  -4.340   5.020  -9.911
  230   3HZ   LYS  28           HZ3      LYS  28  -5.251   3.709 -10.313
  231    H    VAL  29           H        VAL  29  -2.986  -2.013  -7.619
  232    HA   VAL  29           HA       VAL  29  -2.633  -2.173  -4.727
  233    HB   VAL  29           HB       VAL  29  -1.851  -4.227  -6.798
  234   1HG1  VAL  29          HG11      VAL  29  -2.044  -5.768  -4.923
  235   2HG1  VAL  29          HG12      VAL  29  -0.990  -4.444  -4.403
  236   3HG1  VAL  29          HG13      VAL  29  -2.673  -4.484  -3.868
  237   1HG2  VAL  29          HG21      VAL  29  -4.031  -5.298  -6.237
  238   2HG2  VAL  29          HG22      VAL  29  -4.530  -3.794  -5.433
  239   3HG2  VAL  29          HG23      VAL  29  -4.194  -3.814  -7.180
  240    H    TYR  30           H        TYR  30  -0.766  -1.968  -3.682
  241    HA   TYR  30           HA       TYR  30   1.741  -1.366  -5.205
  242   1HB   TYR  30           HB2      TYR  30   0.616  -0.214  -2.631
  243   2HB   TYR  30           HB3      TYR  30   2.203   0.162  -3.275
  244    HD1  TYR  30           HD1      TYR  30  -1.443   0.628  -3.697
  245    HD2  TYR  30           HD2      TYR  30   2.401   1.384  -5.441
  246    HE1  TYR  30           HE1      TYR  30  -2.475   2.174  -5.326
  247    HE2  TYR  30           HE2      TYR  30   1.367   3.060  -6.990
  248    HH   TYR  30           HH       TYR  30  -2.104   3.854  -6.783
  249    H    ASP  31           H        ASP  31   3.295  -2.911  -4.857
  250    HA   ASP  31           HA       ASP  31   3.282  -4.533  -2.340
  251   1HB   ASP  31           HB2      ASP  31   3.520  -5.876  -4.365
  252   2HB   ASP  31           HB3      ASP  31   4.810  -4.811  -4.944
  253    H    LEU  32           H        LEU  32   4.190  -3.233  -0.775
  254    HA   LEU  32           HA       LEU  32   6.624  -1.699  -1.520
  255   1HB   LEU  32           HB2      LEU  32   4.864  -1.352   0.914
  256   2HB   LEU  32           HB3      LEU  32   6.263  -0.433   0.461
  257    HG   LEU  32           HG       LEU  32   4.560  -0.422  -1.842
  258   1HD1  LEU  32          HD11      LEU  32   2.490   0.544  -0.951
  259   2HD1  LEU  32          HD12      LEU  32   2.720  -1.095  -0.325
  260   3HD1  LEU  32          HD13      LEU  32   3.063   0.307   0.711
  261   1HD2  LEU  32          HD21      LEU  32   4.974   1.822   0.148
  262   2HD2  LEU  32          HD22      LEU  32   6.208   1.299  -1.022
  263   3HD2  LEU  32          HD23      LEU  32   4.670   1.926  -1.608
  264    H    THR  33           H        THR  33   5.845  -2.888   1.699
  265    HA   THR  33           HA       THR  33   6.793  -4.157   3.147
  266    HB   THR  33           HB       THR  33   6.414  -5.752   0.925
  267    HG1  THR  33           HG1      THR  33   7.072  -6.468   3.586
  268   1HG2  THR  33          HG21      THR  33   8.780  -6.113   0.478
  269   2HG2  THR  33          HG22      THR  33   9.061  -6.575   2.181
  270   3HG2  THR  33          HG23      THR  33   8.024  -7.565   1.139
  271    H    LYS  34           H        LYS  34   9.260  -3.928   0.577
  272    HA   LYS  34           HA       LYS  34  11.521  -3.938   2.387
  273   1HB   LYS  34           HB2      LYS  34  11.642  -4.491  -0.026
  274   2HB   LYS  34           HB3      LYS  34  11.169  -2.832  -0.439
  275   1HG   LYS  34           HG2      LYS  34  13.212  -1.959   0.621
  276   2HG   LYS  34           HG3      LYS  34  13.662  -3.595   1.147
  277   1HD   LYS  34           HD2      LYS  34  13.789  -4.325  -1.223
  278   2HD   LYS  34           HD3      LYS  34  13.282  -2.700  -1.746
  279   1HE   LYS  34           HE2      LYS  34  15.305  -1.726  -0.636
  280   2HE   LYS  34           HE3      LYS  34  15.830  -3.356  -0.178
  281   1HZ   LYS  34           HZ1      LYS  34  16.920  -2.595  -2.159
  282   2HZ   LYS  34           HZ2      LYS  34  15.972  -3.890  -2.522
  283   3HZ   LYS  34           HZ3      LYS  34  15.488  -2.369  -2.933
  284    H    PHE  35           H        PHE  35   9.080  -1.655   1.385
  285    HA   PHE  35           HA       PHE  35  10.737   0.709   1.896
  286   1HB   PHE  35           HB2      PHE  35   8.931   0.303  -0.021
  287   2HB   PHE  35           HB3      PHE  35   7.821   0.666   1.261
  288    HD1  PHE  35           HD1      PHE  35  11.087   2.178   0.095
  289    HD2  PHE  35           HD2      PHE  35   6.954   2.852   1.142
  290    HE1  PHE  35           HE1      PHE  35  11.392   4.595  -0.259
  291    HE2  PHE  35           HE2      PHE  35   7.248   5.269   0.715
  292    HZ   PHE  35           HZ       PHE  35   9.473   6.158   0.036
  293    H    LEU  36           H        LEU  36   9.067  -1.426   3.912
  294    HA   LEU  36           HA       LEU  36   7.373   0.290   5.400
  295   1HB   LEU  36           HB2      LEU  36   8.983  -2.187   6.157
  296   2HB   LEU  36           HB3      LEU  36   7.764  -1.468   7.209
  297    HG   LEU  36           HG       LEU  36   7.154  -2.372   4.368
  298   1HD1  LEU  36          HD11      LEU  36   6.209  -4.436   5.461
  299   2HD1  LEU  36          HD12      LEU  36   7.944  -4.296   5.810
  300   3HD1  LEU  36          HD13      LEU  36   6.755  -3.844   7.041
  301   1HD2  LEU  36          HD21      LEU  36   5.399  -1.686   6.769
  302   2HD2  LEU  36          HD22      LEU  36   5.511  -0.822   5.218
  303   3HD2  LEU  36          HD23      LEU  36   4.815  -2.443   5.274
  304    H    GLU  37           H        GLU  37  10.736  -0.694   6.075
  305    HA   GLU  37           HA       GLU  37  11.074   1.087   8.280
  306   1HB   GLU  37           HB2      GLU  37  12.412  -1.045   7.506
  307   2HB   GLU  37           HB3      GLU  37  13.373   0.114   6.577
  308   1HG   GLU  37           HG2      GLU  37  13.832   1.351   8.711
  309   2HG   GLU  37           HG3      GLU  37  12.870   0.147   9.590
  310    H    GLU  38           H        GLU  38  11.588   1.404   4.790
  311    HA   GLU  38           HA       GLU  38  13.112   3.806   4.785
  312   1HB   GLU  38           HB2      GLU  38  11.245   2.689   2.683
  313   2HB   GLU  38           HB3      GLU  38  12.504   3.869   2.403
  314   1HG   GLU  38           HG2      GLU  38  14.194   2.171   3.218
  315   2HG   GLU  38           HG3      GLU  38  12.917   0.949   3.186
  316    H    HIS  39           HN       HIS  39   9.648   3.158   4.501
  317    HA   HIS  39           HA       HIS  39   8.741   5.653   3.684
  318   1HB   HIS  39           HB2      HIS  39   7.363   3.727   3.495
  319   2HB   HIS  39           HB3      HIS  39   7.380   3.459   5.236
  320    HD1  HIS  39           HND      HIS  39   5.335   4.315   6.478
  321    HD2  HIS  39           HD       HIS  39   5.904   6.066   2.695
  322    HE1  HIS  39           HE       HIS  39   3.249   5.641   5.989
  323    HA   PRO  40           HA       PRO  40   9.841   7.628   7.633
  324   1HB   PRO  40           HB2      PRO  40   9.364  10.249   6.991
  325   2HB   PRO  40           HB3      PRO  40  10.778   9.334   6.387
  326   1HG   PRO  40           HG2      PRO  40   8.130   9.750   4.984
  327   2HG   PRO  40           HG3      PRO  40   9.766  10.074   4.324
  328   1HD   PRO  40           HD2      PRO  40   8.425   7.802   3.799
  329   2HD   PRO  40           HD3      PRO  40  10.185   7.738   4.114
  330    H    GLY  41           H        GLY  41   6.744   7.797   5.973
  331   1HA   GLY  41           HA1      GLY  41   5.161   8.949   8.041
  332   2HA   GLY  41           HA2      GLY  41   4.632   7.843   6.761
  333    H    GLY  42           H        GLY  42   6.884   5.932   8.033
  334   1HA   GLY  42           HA1      GLY  42   7.063   4.832  10.118
  335   2HA   GLY  42           HA2      GLY  42   5.338   5.039  10.439
  336    H    GLU  43           H        GLU  43   6.790   2.586  10.513
  337    HA   GLU  43           HA       GLU  43   6.100   1.020   8.129
  338   1HB   GLU  43           HB2      GLU  43   7.195  -0.771   9.229
  339   2HB   GLU  43           HB3      GLU  43   8.242   0.647   9.312
  340   1HG   GLU  43           HG2      GLU  43   6.636  -0.597  11.599
  341   2HG   GLU  43           HG3      GLU  43   8.364  -0.703  11.319
  342    H    ALA  44           H        ALA  44   5.294   1.338  11.575
  343    HA   ALA  44           HA       ALA  44   3.515  -0.734  11.868
  344   1HB   ALA  44           HB1      ALA  44   4.360   0.635  13.716
  345   2HB   ALA  44           HB2      ALA  44   3.352   2.003  13.201
  346   3HB   ALA  44           HB3      ALA  44   2.590   0.508  13.791
  347    H    VAL  45           H        VAL  45   2.570   2.623  10.970
  348    HA   VAL  45           HA       VAL  45  -0.188   2.055  10.721
  349    HB   VAL  45           HB       VAL  45   0.790   4.300  10.955
  350   1HG1  VAL  45          HG11      VAL  45   1.655   5.550   9.086
  351   2HG1  VAL  45          HG12      VAL  45   2.656   4.110   9.294
  352   3HG1  VAL  45          HG13      VAL  45   1.456   4.186   7.981
  353   1HG2  VAL  45          HG21      VAL  45  -1.535   4.027  10.266
  354   2HG2  VAL  45          HG22      VAL  45  -0.817   5.449   9.487
  355   3HG2  VAL  45          HG23      VAL  45  -1.050   3.952   8.565
  356    H    LEU  46           H        LEU  46   2.429   1.931   8.284
  357    HA   LEU  46           HA       LEU  46   0.803   1.213   6.067
  358   1HB   LEU  46           HB2      LEU  46   3.693   1.231   6.753
  359   2HB   LEU  46           HB3      LEU  46   3.263  -0.113   5.706
  360    HG   LEU  46           HG       LEU  46   2.639   2.798   5.083
  361   1HD1  LEU  46          HD11      LEU  46   4.487   2.663   3.497
  362   2HD1  LEU  46          HD12      LEU  46   5.103   2.207   5.100
  363   3HD1  LEU  46          HD13      LEU  46   4.767   0.958   3.889
  364   1HD2  LEU  46          HD21      LEU  46   1.090   1.251   3.937
  365   2HD2  LEU  46          HD22      LEU  46   2.270   1.860   2.771
  366   3HD2  LEU  46          HD23      LEU  46   2.447   0.224   3.437
  367    H    ARG  47           H        ARG  47   2.393  -0.706   8.594
  368    HA   ARG  47           HA       ARG  47   1.914  -3.267   7.433
  369   1HB   ARG  47           HB2      ARG  47   3.635  -2.545   9.135
  370   2HB   ARG  47           HB3      ARG  47   2.393  -2.608  10.382
  371   1HG   ARG  47           HG2      ARG  47   3.057  -4.987   8.595
  372   2HG   ARG  47           HG3      ARG  47   4.072  -4.555   9.956
  373   1HD   ARG  47           HD2      ARG  47   2.737  -6.218  10.822
  374   2HD   ARG  47           HD3      ARG  47   2.060  -4.712  11.482
  375    HE   ARG  47           HE       ARG  47   0.620  -5.270   9.128
  376   1HH1  ARG  47          HH11      ARG  47  -1.892  -7.321  10.380
  377   2HH1  ARG  47          HH12      ARG  47  -1.383  -6.268   9.097
  378   1HH2  ARG  47          HH21      ARG  47  -0.487  -7.497  12.333
  379   2HH2  ARG  47          HH22      ARG  47   1.058  -6.702  12.306
  380    H    ALA  48           H        ALA  48   0.198  -1.239   9.782
  381    HA   ALA  48           HA       ALA  48  -1.881  -3.067  10.491
  382   1HB   ALA  48           HB1      ALA  48  -1.268  -1.086  11.802
  383   2HB   ALA  48           HB2      ALA  48  -1.748  -0.022  10.472
  384   3HB   ALA  48           HB3      ALA  48  -2.980  -0.994  11.318
  385    H    GLN  49           H        GLN  49  -1.704  -0.404   8.047
  386    HA   GLN  49           HA       GLN  49  -4.322  -0.942   6.965
  387   1HB   GLN  49           HB2      GLN  49  -1.884   0.691   6.141
  388   2HB   GLN  49           HB3      GLN  49  -3.360   0.649   5.187
  389   1HG   GLN  49           HG2      GLN  49  -3.238   1.536   8.105
  390   2HG   GLN  49           HG3      GLN  49  -3.283   2.600   6.698
  391   1HE2  GLN  49          HE21      GLN  49  -5.267   0.880   8.933
  392   2HE2  GLN  49          HE22      GLN  49  -6.774   1.148   8.072
  393    H    ALA  50           H        ALA  50  -1.180  -2.361   6.405
  394    HA   ALA  50           HA       ALA  50  -1.348  -3.275   3.849
  395   1HB   ALA  50           HB1      ALA  50   0.480  -3.742   5.579
  396   2HB   ALA  50           HB2      ALA  50  -0.522  -5.093   6.147
  397   3HB   ALA  50           HB3      ALA  50   0.079  -5.077   4.481
  398    H    GLY  51           H        GLY  51  -2.487  -4.787   2.711
  399   1HA   GLY  51           HA1      GLY  51  -3.553  -7.009   2.804
  400   2HA   GLY  51           HA2      GLY  51  -4.618  -6.404   4.086
  401    H    GLY  52           H        GLY  52  -4.933  -3.667   2.854
  402   1HA   GLY  52           HA1      GLY  52  -5.889  -3.467   0.334
  403   2HA   GLY  52           HA2      GLY  52  -7.143  -4.465   1.107
  404    H    ASP  53           H        ASP  53  -8.404  -2.531   0.523
  405    HA   ASP  53           HA       ASP  53  -9.100  -0.344   0.777
  406   1HB   ASP  53           HB2      ASP  53 -10.689  -1.993   1.709
  407   2HB   ASP  53           HB3      ASP  53  -9.958  -1.777   3.311
  408    H    ALA  54           H        ALA  54  -6.846   0.569   1.025
  409    HA   ALA  54           HA       ALA  54  -6.720   2.067   3.631
  410   1HB   ALA  54           HB1      ALA  54  -4.406   1.204   1.858
  411   2HB   ALA  54           HB2      ALA  54  -4.313   2.210   3.327
  412   3HB   ALA  54           HB3      ALA  54  -4.833   0.502   3.434
  413    H    THR  55           H        THR  55  -7.874   2.431   0.666
  414    HA   THR  55           HA       THR  55  -6.391   4.605  -0.441
  415    HB   THR  55           HB       THR  55  -9.356   3.920  -0.719
  416    HG1  THR  55           HG1      THR  55  -7.479   2.377  -1.361
  417   1HG2  THR  55          HG21      THR  55  -8.857   6.202  -1.526
  418   2HG2  THR  55          HG22      THR  55  -7.448   5.592  -2.420
  419   3HG2  THR  55          HG23      THR  55  -9.097   5.115  -2.903
  420    H    ALA  56           H        ALA  56  -9.318   4.539   1.648
  421    HA   ALA  56           HA       ALA  56  -9.543   7.333   1.975
  422   1HB   ALA  56           HB1      ALA  56 -11.335   5.746   2.556
  423   2HB   ALA  56           HB2      ALA  56 -10.347   5.083   3.878
  424   3HB   ALA  56           HB3      ALA  56 -10.920   6.763   3.950
  425    H    ASN  57           H        ASN  57  -7.742   4.929   4.006
  426    HA   ASN  57           HA       ASN  57  -7.009   6.906   5.914
  427   1HB   ASN  57           HB2      ASN  57  -6.933   4.338   6.119
  428   2HB   ASN  57           HB3      ASN  57  -5.329   4.449   5.377
  429   1HD2  ASN  57          HD21      ASN  57  -4.841   7.200   6.823
  430   2HD2  ASN  57          HD22      ASN  57  -4.587   6.696   8.484
  431    H    PHE  58           H        PHE  58  -5.283   5.602   3.050
  432    HA   PHE  58           HA       PHE  58  -2.918   7.119   3.185
  433   1HB   PHE  58           HB2      PHE  58  -3.250   5.282   1.649
  434   2HB   PHE  58           HB3      PHE  58  -4.557   6.122   0.834
  435    HD1  PHE  58           HD1      PHE  58  -0.886   6.040   1.325
  436    HD2  PHE  58           HD2      PHE  58  -4.153   7.828  -0.839
  437    HE1  PHE  58           HE1      PHE  58   0.691   6.786  -0.446
  438    HE2  PHE  58           HE2      PHE  58  -2.577   8.604  -2.570
  439    HZ   PHE  58           HZ       PHE  58  -0.153   8.028  -2.417
  440    H    GLU  59           H        GLU  59  -6.032   8.002   1.497
  441    HA   GLU  59           HA       GLU  59  -4.925  10.518   0.681
  442   1HB   GLU  59           HB2      GLU  59  -7.018  10.988  -0.309
  443   2HB   GLU  59           HB3      GLU  59  -6.503   9.331  -0.645
  444   1HG   GLU  59           HG2      GLU  59  -8.585   8.716  -0.111
  445   2HG   GLU  59           HG3      GLU  59  -8.108   8.984   1.566
  446    H    ALA  60           H        ALA  60  -6.991   9.521   3.371
  447    HA   ALA  60           HA       ALA  60  -7.559  11.984   4.538
  448   1HB   ALA  60           HB1      ALA  60  -7.561  10.782   6.714
  449   2HB   ALA  60           HB2      ALA  60  -8.428   9.898   5.448
  450   3HB   ALA  60           HB3      ALA  60  -6.799   9.384   5.936
  451    H    VAL  61           H        VAL  61  -4.489  10.108   4.791
  452    HA   VAL  61           HA       VAL  61  -3.136  12.043   6.440
  453    HB   VAL  61           HB       VAL  61  -2.130   9.934   4.499
  454   1HG1  VAL  61          HG11      VAL  61  -0.527  11.812   6.267
  455   2HG1  VAL  61          HG12      VAL  61   0.113  10.328   5.528
  456   3HG1  VAL  61          HG13      VAL  61  -0.409  11.658   4.503
  457   1HG2  VAL  61          HG21      VAL  61  -1.995  10.140   7.536
  458   2HG2  VAL  61          HG22      VAL  61  -3.205   9.191   6.655
  459   3HG2  VAL  61          HG23      VAL  61  -1.493   8.764   6.529
  460    H    GLY  62           H        GLY  62  -3.386  11.684   2.882
  461   1HA   GLY  62           HA1      GLY  62  -3.605  13.501   1.406
  462   2HA   GLY  62           HA2      GLY  62  -2.942  14.609   2.605
  463    H    HIS  63           HN       HIS  63  -1.973  11.717   0.742
  464    HA   HIS  63           HA       HIS  63   0.839  12.318   0.798
  465   1HB   HIS  63           HB2      HIS  63  -0.921  10.325  -0.644
  466   2HB   HIS  63           HB3      HIS  63   0.807  10.425  -0.957
  467    HD1  HIS  63           HND      HIS  63  -1.539   9.564   2.040
  468    HD2  HIS  63           HD       HIS  63   2.444   9.300   0.687
  469    HE1  HIS  63           HE       HIS  63  -0.304   8.072   3.676
  470    H    SER  64           H        SER  64   1.858  13.836  -0.365
  471    HA   SER  64           HA       SER  64   0.837  15.330  -2.434
  472   1HB   SER  64           HB2      SER  64   3.788  14.826  -1.884
  473   2HB   SER  64           HB3      SER  64   3.022  16.335  -2.426
  474    HG   SER  64           HG       SER  64   3.450  16.340  -0.158
  475    H    THR  65           H        THR  65   2.363  15.732  -4.500
  476    HA   THR  65           HA       THR  65   1.823  13.815  -6.486
  477    HB   THR  65           HB       THR  65   3.714  15.257  -7.620
  478    HG1  THR  65           HG1      THR  65   4.197  17.121  -6.411
  479   1HG2  THR  65          HG21      THR  65   2.206  17.200  -7.852
  480   2HG2  THR  65          HG22      THR  65   1.307  15.679  -7.985
  481   3HG2  THR  65          HG23      THR  65   1.229  16.628  -6.483
  482    H    ASP  66           H        ASP  66   4.937  14.696  -5.010
  483    HA   ASP  66           HA       ASP  66   6.643  12.802  -6.045
  484   1HB   ASP  66           HB2      ASP  66   7.189  14.560  -4.297
  485   2HB   ASP  66           HB3      ASP  66   6.442  13.573  -3.060
  486    H    ALA  67           H        ALA  67   4.704  12.347  -3.150
  487    HA   ALA  67           HA       ALA  67   5.280   9.573  -2.767
  488   1HB   ALA  67           HB1      ALA  67   4.251  10.895  -0.987
  489   2HB   ALA  67           HB2      ALA  67   2.778  11.099  -1.951
  490   3HB   ALA  67           HB3      ALA  67   3.249   9.482  -1.392
  491    H    ARG  68           H        ARG  68   2.616  11.160  -4.506
  492    HA   ARG  68           HA       ARG  68   1.112   8.923  -5.277
  493   1HB   ARG  68           HB2      ARG  68   0.985  11.707  -5.706
  494   2HB   ARG  68           HB3      ARG  68   1.248  11.068  -7.315
  495   1HG   ARG  68           HG2      ARG  68  -1.047  11.076  -7.177
  496   2HG   ARG  68           HG3      ARG  68  -0.700   9.408  -6.704
  497   1HD   ARG  68           HD2      ARG  68  -0.727  10.198  -4.274
  498   2HD   ARG  68           HD3      ARG  68  -1.258  11.776  -4.809
  499    HE   ARG  68           HE       ARG  68  -2.819   9.345  -4.529
  500   1HH1  ARG  68          HH11      ARG  68  -5.785  10.762  -5.748
  501   2HH1  ARG  68          HH12      ARG  68  -5.109   9.488  -4.777
  502   1HH2  ARG  68          HH21      ARG  68  -4.368  12.416  -6.705
  503   2HH2  ARG  68          HH22      ARG  68  -2.658  12.303  -6.414
  504    H    GLU  69           H        GLU  69   4.067  10.348  -6.596
  505    HA   GLU  69           HA       GLU  69   4.076   8.746  -9.032
  506   1HB   GLU  69           HB2      GLU  69   5.736  10.896  -7.784
  507   2HB   GLU  69           HB3      GLU  69   6.378  10.030  -9.168
  508   1HG   GLU  69           HG2      GLU  69   3.707  11.523  -9.062
  509   2HG   GLU  69           HG3      GLU  69   5.187  12.099  -9.830
  510    H    LEU  70           H        LEU  70   6.075   9.004  -6.110
  511    HA   LEU  70           HA       LEU  70   7.864   6.995  -6.486
  512   1HB   LEU  70           HB2      LEU  70   7.756   8.648  -4.640
  513   2HB   LEU  70           HB3      LEU  70   6.428   7.729  -3.939
  514    HG   LEU  70           HG       LEU  70   7.766   6.473  -2.781
  515   1HD1  LEU  70          HD11      LEU  70   9.660   5.160  -3.667
  516   2HD1  LEU  70          HD12      LEU  70   8.066   4.906  -4.393
  517   3HD1  LEU  70          HD13      LEU  70   9.314   5.845  -5.271
  518   1HD2  LEU  70          HD21      LEU  70   8.966   8.569  -2.529
  519   2HD2  LEU  70          HD22      LEU  70  10.045   7.171  -2.382
  520   3HD2  LEU  70          HD23      LEU  70  10.039   8.131  -3.882
  521    H    SER  71           H        SER  71   4.666   6.725  -4.971
  522    HA   SER  71           HA       SER  71   4.348   4.023  -4.535
  523   1HB   SER  71           HB2      SER  71   1.964   4.396  -4.855
  524   2HB   SER  71           HB3      SER  71   2.772   5.657  -3.911
  525    HG   SER  71           HG       SER  71   2.254   6.061  -6.651
  526    H    LYS  72           H        LYS  72   4.285   5.596  -7.799
  527    HA   LYS  72           HA       LYS  72   3.146   3.488  -9.300
  528   1HB   LYS  72           HB2      LYS  72   5.324   5.372 -10.178
  529   2HB   LYS  72           HB3      LYS  72   4.333   4.371 -11.210
  530   1HG   LYS  72           HG2      LYS  72   2.776   6.170  -9.379
  531   2HG   LYS  72           HG3      LYS  72   3.805   6.957 -10.573
  532   1HD   LYS  72           HD2      LYS  72   2.741   5.650 -12.401
  533   2HD   LYS  72           HD3      LYS  72   1.742   4.808 -11.210
  534   1HE   LYS  72           HE2      LYS  72   0.415   6.546 -12.249
  535   2HE   LYS  72           HE3      LYS  72   0.691   6.982 -10.555
  536   1HZ   LYS  72           HZ1      LYS  72   2.361   8.581 -11.287
  537   2HZ   LYS  72           HZ2      LYS  72   2.240   8.088 -12.832
  538   3HZ   LYS  72           HZ3      LYS  72   0.999   8.849 -12.081
  539    H    THR  73           H        THR  73   6.470   4.042  -8.088
  540    HA   THR  73           HA       THR  73   7.743   1.993  -9.606
  541    HB   THR  73           HB       THR  73   8.628   3.316  -7.007
  542    HG1  THR  73           HG1      THR  73   9.425   4.926  -8.361
  543   1HG2  THR  73          HG21      THR  73  10.200   2.112  -9.326
  544   2HG2  THR  73          HG22      THR  73  10.908   3.071  -8.008
  545   3HG2  THR  73          HG23      THR  73  10.146   1.516  -7.650
  546    H    PHE  74           H        PHE  74   5.648   1.822  -6.898
  547    HA   PHE  74           HA       PHE  74   6.636  -0.898  -6.124
  548   1HB   PHE  74           HB2      PHE  74   4.989   1.169  -4.595
  549   2HB   PHE  74           HB3      PHE  74   5.255  -0.495  -4.085
  550    HD1  PHE  74           HD1      PHE  74   7.772  -1.304  -4.002
  551    HD2  PHE  74           HD2      PHE  74   6.495   2.811  -3.731
  552    HE1  PHE  74           HE1      PHE  74   9.902  -0.712  -2.887
  553    HE2  PHE  74           HE2      PHE  74   8.564   3.352  -2.463
  554    HZ   PHE  74           HZ       PHE  74  10.312   1.621  -2.152
  555    H    ILE  75           H        ILE  75   4.571   0.549  -8.259
  556    HA   ILE  75           HA       ILE  75   2.144  -0.771  -7.452
  557    HB   ILE  75           HB       ILE  75   2.652   1.398  -8.889
  558   1HG1  ILE  75          HG12      ILE  75   0.534   0.638  -7.872
  559   2HG1  ILE  75          HG13      ILE  75   0.392   1.616  -9.336
  560   1HG2  ILE  75          HG21      ILE  75   2.099   1.142 -11.251
  561   2HG2  ILE  75          HG22      ILE  75   3.554   0.198 -10.891
  562   3HG2  ILE  75          HG23      ILE  75   2.006  -0.622 -11.087
  563   1HD1  ILE  75          HD11      ILE  75  -0.452  -0.168 -10.558
  564   2HD1  ILE  75          HD12      ILE  75   0.453  -1.356  -9.603
  565   3HD1  ILE  75          HD13      ILE  75  -0.971  -0.609  -8.900
  566    H    ILE  76           H        ILE  76   1.434  -2.765  -7.929
  567    HA   ILE  76           HA       ILE  76   3.093  -4.471  -9.778
  568    HB   ILE  76           HB       ILE  76   2.071  -6.354  -8.440
  569   1HG1  ILE  76          HG12      ILE  76   1.528  -4.218  -6.326
  570   2HG1  ILE  76          HG13      ILE  76   0.267  -4.782  -7.423
  571   1HG2  ILE  76          HG21      ILE  76   3.912  -4.389  -7.017
  572   2HG2  ILE  76          HG22      ILE  76   3.802  -6.139  -6.705
  573   3HG2  ILE  76          HG23      ILE  76   4.407  -5.560  -8.250
  574   1HD1  ILE  76          HD11      ILE  76   0.478  -5.912  -5.141
  575   2HD1  ILE  76          HD12      ILE  76   0.275  -6.945  -6.570
  576   3HD1  ILE  76          HD13      ILE  76   1.872  -6.761  -5.815
  577    H    GLY  77           H        GLY  77  -0.125  -3.174  -9.269
  578   1HA   GLY  77           HA1      GLY  77  -1.086  -3.339 -11.751
  579   2HA   GLY  77           HA2      GLY  77  -1.410  -4.980 -11.164
  580    H    GLU  78           H        GLU  78  -3.644  -4.538 -11.175
  581    HA   GLU  78           HA       GLU  78  -4.603  -2.360  -9.406
  582   1HB   GLU  78           HB2      GLU  78  -5.288  -3.095 -12.238
  583   2HB   GLU  78           HB3      GLU  78  -6.545  -2.429 -11.193
  584   1HG   GLU  78           HG2      GLU  78  -5.096  -0.517 -10.653
  585   2HG   GLU  78           HG3      GLU  78  -3.878  -1.113 -11.807
  586    H    LEU  79           H        LEU  79  -6.852  -2.466  -8.821
  587    HA   LEU  79           HA       LEU  79  -7.377  -4.889  -7.371
  588   1HB   LEU  79           HB2      LEU  79  -8.126  -2.666  -6.603
  589   2HB   LEU  79           HB3      LEU  79  -9.086  -2.481  -8.084
  590    HG   LEU  79           HG       LEU  79 -10.471  -4.465  -7.403
  591   1HD1  LEU  79          HD11      LEU  79  -8.769  -4.246  -4.887
  592   2HD1  LEU  79          HD12      LEU  79 -10.312  -5.114  -4.949
  593   3HD1  LEU  79          HD13      LEU  79  -8.950  -5.677  -5.922
  594   1HD2  LEU  79          HD21      LEU  79 -10.458  -2.371  -5.246
  595   2HD2  LEU  79          HD22      LEU  79 -10.967  -2.035  -6.919
  596   3HD2  LEU  79          HD23      LEU  79 -11.823  -3.260  -5.981
  597    H    HIS  80           H        HIS  80  -8.509  -6.634  -8.040
  598    HA   HIS  80           HA       HIS  80  -9.115  -7.145 -10.727
  599   1HB   HIS  80           HB2      HIS  80  -8.912  -8.716  -8.692
  600   2HB   HIS  80           HB3      HIS  80 -10.648  -8.500  -8.498
  601    HD1  HIS  80           HD1      HIS  80 -12.077  -9.922 -10.296
  602    HD2  HIS  80           HD2      HIS  80  -7.907 -10.031 -10.763
  603    HE1  HIS  80           HE1      HIS  80 -11.614 -11.687 -12.026
  604    HA   PRO  81           HA       PRO  81 -12.810  -4.802 -11.404
  605   1HB   PRO  81           HB2      PRO  81 -13.870  -6.123 -13.577
  606   2HB   PRO  81           HB3      PRO  81 -12.489  -4.992 -13.649
  607   1HG   PRO  81           HG2      PRO  81 -12.379  -8.016 -13.462
  608   2HG   PRO  81           HG3      PRO  81 -11.489  -6.958 -14.600
  609   1HD   PRO  81           HD2      PRO  81 -10.335  -7.895 -12.385
  610   2HD   PRO  81           HD3      PRO  81 -10.041  -6.199 -12.869
  611    H    ASP  82           H        ASP  82 -12.729  -8.207 -10.613
  612    HA   ASP  82           HA       ASP  82 -15.568  -8.686 -10.415
  613   1HB   ASP  82           HB2      ASP  82 -13.890 -10.506 -10.474
  614   2HB   ASP  82           HB3      ASP  82 -13.286  -9.973  -8.858
  615    H    ASP  83           H        ASP  83 -13.160  -7.156  -8.322
  616    HA   ASP  83           HA       ASP  83 -14.860  -7.165  -5.946
  617   1HB   ASP  83           HB2      ASP  83 -12.356  -7.308  -5.924
  618   2HB   ASP  83           HB3      ASP  83 -12.321  -5.631  -6.510
  619    H    ARG  84           H        ARG  84 -14.689  -5.212  -8.790
  620    HA   ARG  84           HA       ARG  84 -15.132  -2.647  -7.496
  621   1HB   ARG  84           HB2      ARG  84 -14.323  -3.543 -10.109
  622   2HB   ARG  84           HB3      ARG  84 -15.841  -2.677 -10.317
  623   1HG   ARG  84           HG2      ARG  84 -14.183  -1.045 -10.553
  624   2HG   ARG  84           HG3      ARG  84 -14.856  -0.799  -8.940
  625   1HD   ARG  84           HD2      ARG  84 -12.475  -0.677  -8.632
  626   2HD   ARG  84           HD3      ARG  84 -12.974  -2.238  -8.016
  627    HE   ARG  84           HE       ARG  84 -11.690  -3.298  -9.577
  628   1HH1  ARG  84          HH11      ARG  84  -9.695  -1.934 -12.177
  629   2HH1  ARG  84          HH12      ARG  84  -9.877  -3.250 -11.062
  630   1HH2  ARG  84          HH21      ARG  84 -11.106  -0.039 -11.963
  631   2HH2  ARG  84          HH22      ARG  84 -12.341  -0.051 -10.733
  632    HHA  HEM 201           HGM      HEM 201   4.316  11.157   5.190
  633    HHB  HEM 201           HDM      HEM 201   5.734   8.036  -0.280
  634    HHC  HEM 201           HAM      HEM 201   1.106   3.731   1.028
  635    HHD  HEM 201           HBM      HEM 201   0.166   6.479   6.813
  636   1HMA  HEM 201          HM81      HEM 201   7.612   9.528   0.503
  637   2HMA  HEM 201          HM82      HEM 201   6.492  10.669  -0.275
  638   3HMA  HEM 201          HM83      HEM 201   7.524  11.199   1.063
  639   1HAA  HEM 201          HAA1      HEM 201   6.271  12.619   2.273
  640   2HAA  HEM 201          HAA2      HEM 201   5.064  12.630   3.532
  641   1HBA  HEM 201          HBA1      HEM 201   7.941  11.697   3.786
  642   2HBA  HEM 201          HBA2      HEM 201   6.720  11.515   5.074
  643   1HMB  HEM 201          HM11      HEM 201   4.846   6.632  -2.499
  644   2HMB  HEM 201          HM12      HEM 201   6.080   5.831  -1.511
  645   3HMB  HEM 201          HM13      HEM 201   4.903   4.860  -2.395
  646    HAB  HEM 201          HT2A      HEM 201   2.735   2.839  -0.974
  647   1HBB  HEM 201          HV2C      HEM 201   1.251   5.074  -2.328
  648   2HBB  HEM 201          HV2T      HEM 201   1.203   3.225  -2.652
  649   1HMC  HEM 201          HM31      HEM 201  -1.096   2.321   3.755
  650   2HMC  HEM 201          HM32      HEM 201  -1.837   3.454   2.618
  651   3HMC  HEM 201          HM33      HEM 201  -0.406   2.517   2.134
  652    HAC  HEM 201          HT4A      HEM 201  -1.060   3.426   6.314
  653   1HBC  HEM 201          HV4C      HEM 201  -2.384   6.079   5.501
  654   2HBC  HEM 201          HV4T      HEM 201  -2.757   5.023   6.995
  655   1HMD  HEM 201          HM51      HEM 201   0.028   8.148   8.351
  656   2HMD  HEM 201          HM52      HEM 201   1.620   7.989   9.128
  657   3HMD  HEM 201          HM53      HEM 201   0.879   9.583   8.918
  658   1HAD  HEM 201          HAD1      HEM 201   3.199  10.402   8.703
  659   2HAD  HEM 201          HAD2      HEM 201   4.029  11.224   7.398
  660   1HBD  HEM 201          HBD1      HEM 201   1.117  11.676   7.902
  661   2HBD  HEM 201          HBD2      HEM 201   2.377  12.576   8.749
  Start of MODEL   13
    1   1H    ALA   3           H1       ALA   3   1.983  -8.885 -18.453
    2   2H    ALA   3           H2       ALA   3   0.804  -9.779 -19.133
    3   3H    ALA   3           H3       ALA   3   1.881  -8.984 -20.122
    4    HA   ALA   3           HA       ALA   3   1.029  -6.910 -19.609
    5   1HB   ALA   3           HB1      ALA   3  -0.615  -8.240 -20.964
    6   2HB   ALA   3           HB2      ALA   3  -1.387  -8.784 -19.458
    7   3HB   ALA   3           HB3      ALA   3  -1.418  -7.068 -19.908
    8    H    VAL   4           H        VAL   4  -1.018  -5.941 -18.056
    9    HA   VAL   4           HA       VAL   4   0.020  -6.123 -15.391
   10    HB   VAL   4           HB       VAL   4  -1.129  -4.144 -16.309
   11   1HG1  VAL   4          HG11      VAL   4  -3.564  -4.018 -16.459
   12   2HG1  VAL   4          HG12      VAL   4  -2.975  -5.258 -17.575
   13   3HG1  VAL   4          HG13      VAL   4  -3.725  -5.729 -16.036
   14   1HG2  VAL   4          HG21      VAL   4  -2.534  -5.254 -13.849
   15   2HG2  VAL   4          HG22      VAL   4  -0.917  -4.509 -13.883
   16   3HG2  VAL   4          HG23      VAL   4  -2.349  -3.551 -14.306
   17    H    LYS   5           H        LYS   5  -0.864  -7.204 -13.576
   18    HA   LYS   5           HA       LYS   5  -2.848  -9.370 -14.144
   19   1HB   LYS   5           HB2      LYS   5  -0.637 -10.312 -13.919
   20   2HB   LYS   5           HB3      LYS   5  -0.367  -9.467 -12.384
   21   1HG   LYS   5           HG2      LYS   5  -2.006 -10.772 -11.245
   22   2HG   LYS   5           HG3      LYS   5  -2.721 -11.364 -12.756
   23   1HD   LYS   5           HD2      LYS   5  -0.747 -12.659 -13.291
   24   2HD   LYS   5           HD3      LYS   5   0.133 -11.999 -11.895
   25   1HE   LYS   5           HE2      LYS   5  -1.399 -13.093 -10.332
   26   2HE   LYS   5           HE3      LYS   5  -2.456 -13.617 -11.651
   27   1HZ   LYS   5           HZ1      LYS   5  -0.719 -15.041 -12.439
   28   2HZ   LYS   5           HZ2      LYS   5   0.322 -14.528 -11.270
   29   3HZ   LYS   5           HZ3      LYS   5  -1.027 -15.374 -10.861
   30    H    TYR   6           H        TYR   6  -4.687  -8.740 -13.201
   31    HA   TYR   6           HA       TYR   6  -4.810  -6.865 -10.994
   32   1HB   TYR   6           HB2      TYR   6  -7.012  -8.696 -11.956
   33   2HB   TYR   6           HB3      TYR   6  -7.099  -7.152 -11.088
   34    HD1  TYR   6           HD1      TYR   6  -6.786  -5.036 -12.215
   35    HD2  TYR   6           HD2      TYR   6  -6.736  -8.738 -14.395
   36    HE1  TYR   6           HE1      TYR   6  -6.781  -3.767 -14.367
   37    HE2  TYR   6           HE2      TYR   6  -6.781  -7.492 -16.530
   38    HH   TYR   6           HH       TYR   6  -6.796  -5.416 -17.535
   39    H    TYR   7           H        TYR   7  -5.691  -7.340  -8.865
   40    HA   TYR   7           HA       TYR   7  -5.372 -10.169  -7.968
   41   1HB   TYR   7           HB2      TYR   7  -4.310  -7.735  -6.510
   42   2HB   TYR   7           HB3      TYR   7  -4.175  -9.420  -6.023
   43    HD1  TYR   7           HD1      TYR   7  -2.563  -6.725  -7.756
   44    HD2  TYR   7           HD2      TYR   7  -2.866 -11.021  -7.611
   45    HE1  TYR   7           HE1      TYR   7  -0.397  -6.921  -8.939
   46    HE2  TYR   7           HE2      TYR   7  -0.645 -11.210  -8.690
   47    HH   TYR   7           HH       TYR   7   1.225 -10.053  -9.429
   48    H    THR   8           H        THR   8  -6.847 -10.805  -6.396
   49    HA   THR   8           HA       THR   8  -9.273  -9.193  -6.168
   50    HB   THR   8           HB       THR   8 -10.083 -11.220  -4.985
   51    HG1  THR   8           HG1      THR   8  -8.173 -12.954  -5.123
   52   1HG2  THR   8          HG21      THR   8  -9.816 -12.908  -6.747
   53   2HG2  THR   8          HG22      THR   8 -10.147 -11.317  -7.445
   54   3HG2  THR   8          HG23      THR   8  -8.497 -11.986  -7.488
   55    H    LEU   9           H        LEU   9 -10.218  -8.680  -4.038
   56    HA   LEU   9           HA       LEU   9  -8.507  -7.524  -2.160
   57   1HB   LEU   9           HB2      LEU   9 -11.233  -7.745  -2.518
   58   2HB   LEU   9           HB3      LEU   9 -11.051  -8.701  -1.099
   59    HG   LEU   9           HG       LEU   9 -10.111  -5.813  -1.508
   60   1HD1  LEU   9          HD11      LEU   9 -12.344  -6.940   0.233
   61   2HD1  LEU   9          HD12      LEU   9 -11.869  -5.231   0.105
   62   3HD1  LEU   9          HD13      LEU   9 -12.558  -6.063  -1.297
   63   1HD2  LEU   9          HD21      LEU   9  -9.942  -7.570   0.979
   64   2HD2  LEU   9          HD22      LEU   9  -8.575  -6.871   0.076
   65   3HD2  LEU   9          HD23      LEU   9  -9.674  -5.814   0.965
   66    H    GLU  10           H        GLU  10  -9.912 -10.763  -2.275
   67    HA   GLU  10           HA       GLU  10  -8.973 -12.037   0.021
   68   1HB   GLU  10           HB2      GLU  10 -10.533 -13.010  -1.528
   69   2HB   GLU  10           HB3      GLU  10  -9.397 -12.933  -2.842
   70   1HG   GLU  10           HG2      GLU  10  -9.613 -15.202  -2.193
   71   2HG   GLU  10           HG3      GLU  10  -7.989 -14.619  -1.846
   72    H    GLU  11           H        GLU  11  -7.385 -12.254  -3.174
   73    HA   GLU  11           HA       GLU  11  -4.978 -13.377  -2.292
   74   1HB   GLU  11           HB2      GLU  11  -5.817 -11.771  -4.691
   75   2HB   GLU  11           HB3      GLU  11  -4.114 -11.961  -4.388
   76   1HG   GLU  11           HG2      GLU  11  -5.033 -13.727  -5.905
   77   2HG   GLU  11           HG3      GLU  11  -4.193 -14.346  -4.478
   78    H    ILE  12           H        ILE  12  -5.717  -9.885  -2.760
   79    HA   ILE  12           HA       ILE  12  -3.150  -8.987  -1.979
   80    HB   ILE  12           HB       ILE  12  -5.818  -7.570  -1.716
   81   1HG1  ILE  12          HG12      ILE  12  -3.717  -7.185  -3.904
   82   2HG1  ILE  12          HG13      ILE  12  -4.946  -8.413  -4.074
   83   1HG2  ILE  12          HG21      ILE  12  -3.024  -6.358  -1.901
   84   2HG2  ILE  12          HG22      ILE  12  -4.540  -5.484  -1.665
   85   3HG2  ILE  12          HG23      ILE  12  -3.906  -6.513  -0.378
   86   1HD1  ILE  12          HD11      ILE  12  -6.722  -6.697  -3.780
   87   2HD1  ILE  12          HD12      ILE  12  -5.452  -5.449  -3.748
   88   3HD1  ILE  12          HD13      ILE  12  -5.707  -6.424  -5.197
   89    H    GLN  13           H        GLN  13  -6.065  -9.697   0.017
   90    HA   GLN  13           HA       GLN  13  -5.041  -8.839   2.471
   91   1HB   GLN  13           HB2      GLN  13  -7.364 -10.497   1.585
   92   2HB   GLN  13           HB3      GLN  13  -6.812 -10.676   3.229
   93   1HG   GLN  13           HG2      GLN  13  -6.857  -8.150   3.487
   94   2HG   GLN  13           HG3      GLN  13  -7.597  -8.068   1.879
   95   1HE2  GLN  13          HE21      GLN  13  -8.998  -6.877   3.819
   96   2HE2  GLN  13          HE22      GLN  13 -10.330  -7.881   4.368
   97    H    LYS  14           H        LYS  14  -3.996 -11.567   0.709
   98    HA   LYS  14           HA       LYS  14  -3.072 -13.049   3.084
   99   1HB   LYS  14           HB2      LYS  14  -2.468 -13.384   0.120
  100   2HB   LYS  14           HB3      LYS  14  -1.912 -14.458   1.408
  101   1HG   LYS  14           HG2      LYS  14  -4.169 -15.031   2.052
  102   2HG   LYS  14           HG3      LYS  14  -4.836 -13.757   1.036
  103   1HD   LYS  14           HD2      LYS  14  -4.093 -14.972  -1.004
  104   2HD   LYS  14           HD3      LYS  14  -3.593 -16.339   0.021
  105   1HE   LYS  14           HE2      LYS  14  -5.868 -16.579   0.920
  106   2HE   LYS  14           HE3      LYS  14  -6.358 -15.034   0.226
  107   1HZ   LYS  14           HZ1      LYS  14  -5.914 -17.475  -1.320
  108   2HZ   LYS  14           HZ2      LYS  14  -7.308 -16.659  -0.924
  109   3HZ   LYS  14           HZ3      LYS  14  -6.230 -15.990  -1.969
  110    H    HIS  15           H        HIS  15  -1.890 -10.534   0.904
  111    HA   HIS  15           HA       HIS  15   0.910 -10.920   1.797
  112   1HB   HIS  15           HB2      HIS  15  -0.386  -9.141  -0.279
  113   2HB   HIS  15           HB3      HIS  15   1.315  -9.041   0.183
  114    HD1  HIS  15           HD1      HIS  15   2.909 -10.541  -1.172
  115    HD2  HIS  15           HD2      HIS  15  -1.104 -11.772  -1.225
  116    HE1  HIS  15           HE1      HIS  15   2.748 -12.432  -2.889
  117    H    ASN  16           H        ASN  16  -0.138 -10.349   4.048
  118    HA   ASN  16           HA       ASN  16   0.652  -7.652   4.858
  119   1HB   ASN  16           HB2      ASN  16  -1.728  -6.915   5.484
  120   2HB   ASN  16           HB3      ASN  16  -1.352  -6.896   3.760
  121   1HD2  ASN  16          HD21      ASN  16  -2.951  -8.863   6.297
  122   2HD2  ASN  16          HD22      ASN  16  -3.925  -9.784   5.110
  123    H    ASN  17           H        ASN  17   1.425 -10.002   5.886
  124    HA   ASN  17           HA       ASN  17   0.516  -9.872   8.625
  125   1HB   ASN  17           HB2      ASN  17  -1.436 -11.102   7.466
  126   2HB   ASN  17           HB3      ASN  17  -0.311 -12.432   7.221
  127   1HD2  ASN  17          HD21      ASN  17  -2.559 -12.977   8.621
  128   2HD2  ASN  17          HD22      ASN  17  -2.232 -13.069  10.343
  129    H    SER  18           H        SER  18   2.940  -9.562   7.708
  130    HA   SER  18           HA       SER  18   4.763 -11.095   8.986
  131   1HB   SER  18           HB2      SER  18   4.241 -13.143   7.884
  132   2HB   SER  18           HB3      SER  18   4.123 -12.373   6.291
  133    HG   SER  18           HG       SER  18   6.070 -13.654   6.882
  134    H    LYS  19           H        LYS  19   6.202 -11.117   6.096
  135    HA   LYS  19           HA       LYS  19   7.177  -8.334   6.158
  136   1HB   LYS  19           HB2      LYS  19   7.825 -10.740   4.392
  137   2HB   LYS  19           HB3      LYS  19   8.558  -9.142   4.250
  138   1HG   LYS  19           HG2      LYS  19   9.296  -9.396   6.709
  139   2HG   LYS  19           HG3      LYS  19   8.726 -11.067   6.604
  140   1HD   LYS  19           HD2      LYS  19  11.054 -11.169   6.164
  141   2HD   LYS  19           HD3      LYS  19  10.261 -11.372   4.593
  142   1HE   LYS  19           HE2      LYS  19  10.678  -8.889   4.142
  143   2HE   LYS  19           HE3      LYS  19  11.500  -8.789   5.703
  144   1HZ   LYS  19           HZ1      LYS  19  13.013  -9.032   3.886
  145   2HZ   LYS  19           HZ2      LYS  19  13.115 -10.361   4.848
  146   3HZ   LYS  19           HZ3      LYS  19  12.320 -10.442   3.405
  147    H    SER  20           H        SER  20   5.375 -10.470   3.889
  148    HA   SER  20           HA       SER  20   5.389  -8.612   1.761
  149   1HB   SER  20           HB2      SER  20   4.854 -11.103   1.636
  150   2HB   SER  20           HB3      SER  20   3.204 -10.657   2.113
  151    HG   SER  20           HG       SER  20   3.520  -9.035   0.262
  152    H    THR  21           H        THR  21   4.242  -6.758   1.506
  153    HA   THR  21           HA       THR  21   1.747  -6.210   3.040
  154    HB   THR  21           HB       THR  21   4.295  -4.572   2.934
  155    HG1  THR  21           HG1      THR  21   4.369  -5.041   5.042
  156   1HG2  THR  21          HG21      THR  21   2.811  -2.822   2.904
  157   2HG2  THR  21          HG22      THR  21   1.465  -3.814   3.460
  158   3HG2  THR  21          HG23      THR  21   2.649  -3.214   4.632
  159    H    TRP  22           H        TRP  22   0.559  -6.461   1.174
  160    HA   TRP  22           HA       TRP  22   0.881  -4.447  -0.977
  161   1HB   TRP  22           HB2      TRP  22  -0.869  -6.926  -0.770
  162   2HB   TRP  22           HB3      TRP  22  -0.860  -5.768  -2.099
  163    HD1  TRP  22           HD1      TRP  22   2.664  -6.321  -1.299
  164    HE1  TRP  22           HE1      TRP  22   3.735  -7.764  -2.975
  165    HE3  TRP  22           HE3      TRP  22  -1.589  -8.138  -3.466
  166    HZ2  TRP  22           HZ2      TRP  22   2.854  -9.701  -5.070
  167    HZ3  TRP  22           HZ3      TRP  22  -1.460  -9.745  -5.312
  168    HH2  TRP  22           HH2      TRP  22   0.763 -10.561  -6.129
  169    H    LEU  23           H        LEU  23  -1.377  -3.528  -1.602
  170    HA   LEU  23           HA       LEU  23  -3.519  -3.475   0.217
  171   1HB   LEU  23           HB2      LEU  23  -3.129  -0.992   0.926
  172   2HB   LEU  23           HB3      LEU  23  -2.405  -2.299   1.831
  173    HG   LEU  23           HG       LEU  23  -0.231  -1.931   0.528
  174   1HD1  LEU  23          HD11      LEU  23  -1.607   0.655  -0.220
  175   2HD1  LEU  23          HD12      LEU  23   0.084   0.243  -0.529
  176   3HD1  LEU  23          HD13      LEU  23  -1.196  -0.624  -1.383
  177   1HD2  LEU  23          HD21      LEU  23  -1.383   0.236   2.273
  178   2HD2  LEU  23          HD22      LEU  23  -0.421  -1.169   2.783
  179   3HD2  LEU  23          HD23      LEU  23   0.333   0.096   1.787
  180    H    ILE  24           H        ILE  24  -4.995  -1.543  -0.397
  181    HA   ILE  24           HA       ILE  24  -4.825  -1.130  -3.357
  182    HB   ILE  24           HB       ILE  24  -7.247  -1.559  -1.583
  183   1HG1  ILE  24          HG12      ILE  24  -6.427  -3.175  -4.023
  184   2HG1  ILE  24          HG13      ILE  24  -5.770  -3.561  -2.430
  185   1HG2  ILE  24          HG21      ILE  24  -8.510  -1.403  -3.787
  186   2HG2  ILE  24          HG22      ILE  24  -7.803   0.125  -3.286
  187   3HG2  ILE  24          HG23      ILE  24  -7.006  -0.847  -4.540
  188   1HD1  ILE  24          HD11      ILE  24  -7.788  -4.917  -2.862
  189   2HD1  ILE  24          HD12      ILE  24  -7.988  -3.863  -1.461
  190   3HD1  ILE  24          HD13      ILE  24  -8.763  -3.449  -2.995
  191    H    LEU  25           H        LEU  25  -4.250   0.952  -3.707
  192    HA   LEU  25           HA       LEU  25  -5.630   3.118  -2.156
  193   1HB   LEU  25           HB2      LEU  25  -2.894   3.058  -3.411
  194   2HB   LEU  25           HB3      LEU  25  -3.775   4.505  -2.984
  195    HG   LEU  25           HG       LEU  25  -3.234   4.515  -0.921
  196   1HD1  LEU  25          HD11      LEU  25  -4.637   2.787  -0.240
  197   2HD1  LEU  25          HD12      LEU  25  -3.481   1.533  -0.737
  198   3HD1  LEU  25          HD13      LEU  25  -3.094   2.626   0.614
  199   1HD2  LEU  25          HD21      LEU  25  -1.021   3.540  -0.407
  200   2HD2  LEU  25          HD22      LEU  25  -1.158   2.461  -1.802
  201   3HD2  LEU  25          HD23      LEU  25  -1.094   4.217  -2.039
  202    H    HIS  26           H        HIS  26  -7.293   3.698  -3.404
  203    HA   HIS  26           HA       HIS  26  -8.516   4.376  -5.182
  204   1HB   HIS  26           HB2      HIS  26  -5.885   5.225  -6.423
  205   2HB   HIS  26           HB3      HIS  26  -7.497   5.811  -6.835
  206    HD1  HIS  26           HD1      HIS  26  -8.674   7.452  -4.928
  207    HD2  HIS  26           HD2      HIS  26  -4.698   6.250  -4.304
  208    HE1  HIS  26           HE1      HIS  26  -7.739   8.962  -3.094
  209    H    TYR  27           H        TYR  27  -8.249   1.770  -5.125
  210    HA   TYR  27           HA       TYR  27  -8.552  -0.128  -6.254
  211   1HB   TYR  27           HB2      TYR  27  -8.649   1.438  -8.841
  212   2HB   TYR  27           HB3      TYR  27  -9.307  -0.156  -8.480
  213    HD1  TYR  27           HD1      TYR  27  -9.844   3.489  -8.101
  214    HD2  TYR  27           HD2      TYR  27 -11.375  -0.439  -7.222
  215    HE1  TYR  27           HE1      TYR  27 -11.969   4.488  -7.338
  216    HE2  TYR  27           HE2      TYR  27 -13.539   0.558  -6.540
  217    HH   TYR  27           HH       TYR  27 -14.081   4.090  -6.481
  218    H    LYS  28           H        LYS  28  -5.655   1.542  -6.570
  219    HA   LYS  28           HA       LYS  28  -4.419  -0.386  -8.465
  220   1HB   LYS  28           HB2      LYS  28  -3.507   2.188  -7.184
  221   2HB   LYS  28           HB3      LYS  28  -2.476   1.201  -8.221
  222   1HG   LYS  28           HG2      LYS  28  -5.172   2.278  -9.151
  223   2HG   LYS  28           HG3      LYS  28  -3.730   3.297  -9.158
  224   1HD   LYS  28           HD2      LYS  28  -2.536   1.745 -10.613
  225   2HD   LYS  28           HD3      LYS  28  -3.891   0.609 -10.542
  226   1HE   LYS  28           HE2      LYS  28  -5.354   2.494 -11.539
  227   2HE   LYS  28           HE3      LYS  28  -3.852   3.404 -11.787
  228   1HZ   LYS  28           HZ1      LYS  28  -4.732   0.896 -13.039
  229   2HZ   LYS  28           HZ2      LYS  28  -4.397   2.291 -13.768
  230   3HZ   LYS  28           HZ3      LYS  28  -3.153   1.396 -13.148
  231    H    VAL  29           H        VAL  29  -3.116  -2.021  -7.718
  232    HA   VAL  29           HA       VAL  29  -2.781  -2.348  -4.833
  233    HB   VAL  29           HB       VAL  29  -1.940  -4.257  -7.020
  234   1HG1  VAL  29          HG11      VAL  29  -2.687  -4.692  -4.086
  235   2HG1  VAL  29          HG12      VAL  29  -2.064  -5.911  -5.217
  236   3HG1  VAL  29          HG13      VAL  29  -1.022  -4.590  -4.674
  237   1HG2  VAL  29          HG21      VAL  29  -4.610  -4.055  -5.597
  238   2HG2  VAL  29          HG22      VAL  29  -4.296  -3.892  -7.340
  239   3HG2  VAL  29          HG23      VAL  29  -4.046  -5.451  -6.547
  240    H    TYR  30           H        TYR  30  -0.862  -1.985  -3.827
  241    HA   TYR  30           HA       TYR  30   1.572  -1.389  -5.472
  242   1HB   TYR  30           HB2      TYR  30   0.574  -0.210  -2.864
  243   2HB   TYR  30           HB3      TYR  30   2.161   0.108  -3.534
  244    HD1  TYR  30           HD1      TYR  30   2.333   1.174  -5.828
  245    HD2  TYR  30           HD2      TYR  30  -1.430   0.826  -3.792
  246    HE1  TYR  30           HE1      TYR  30   1.329   2.841  -7.389
  247    HE2  TYR  30           HE2      TYR  30  -2.419   2.451  -5.362
  248    HH   TYR  30           HH       TYR  30  -2.049   3.926  -7.066
  249    H    ASP  31           H        ASP  31   3.227  -2.802  -5.160
  250    HA   ASP  31           HA       ASP  31   3.279  -4.515  -2.696
  251   1HB   ASP  31           HB2      ASP  31   3.521  -5.785  -4.753
  252   2HB   ASP  31           HB3      ASP  31   4.790  -4.677  -5.325
  253    H    LEU  32           H        LEU  32   4.234  -3.280  -1.084
  254    HA   LEU  32           HA       LEU  32   6.634  -1.700  -1.838
  255   1HB   LEU  32           HB2      LEU  32   4.981  -1.403   0.664
  256   2HB   LEU  32           HB3      LEU  32   6.336  -0.457   0.133
  257    HG   LEU  32           HG       LEU  32   4.574  -0.440  -2.099
  258   1HD1  LEU  32          HD11      LEU  32   3.082   0.194   0.481
  259   2HD1  LEU  32          HD12      LEU  32   2.481   0.403  -1.177
  260   3HD1  LEU  32          HD13      LEU  32   2.787  -1.222  -0.550
  261   1HD2  LEU  32          HD21      LEU  32   4.978   1.761  -0.062
  262   2HD2  LEU  32          HD22      LEU  32   6.169   1.308  -1.305
  263   3HD2  LEU  32          HD23      LEU  32   4.587   1.903  -1.798
  264    H    THR  33           H        THR  33   5.808  -3.210   1.284
  265    HA   THR  33           HA       THR  33   6.903  -4.469   2.728
  266    HB   THR  33           HB       THR  33   7.468  -5.867   0.124
  267    HG1  THR  33           HG1      THR  33   6.013  -6.524   2.463
  268   1HG2  THR  33          HG21      THR  33   8.054  -7.850   1.571
  269   2HG2  THR  33          HG22      THR  33   9.328  -6.624   1.487
  270   3HG2  THR  33          HG23      THR  33   8.291  -6.721   2.930
  271    H    LYS  34           H        LYS  34   9.303  -4.095   0.152
  272    HA   LYS  34           HA       LYS  34  11.539  -4.122   1.997
  273   1HB   LYS  34           HB2      LYS  34  11.276  -4.784  -0.558
  274   2HB   LYS  34           HB3      LYS  34  11.696  -3.095  -0.852
  275   1HG   LYS  34           HG2      LYS  34  13.858  -3.399   0.188
  276   2HG   LYS  34           HG3      LYS  34  13.364  -4.940   0.922
  277   1HD   LYS  34           HD2      LYS  34  13.063  -5.944  -1.330
  278   2HD   LYS  34           HD3      LYS  34  13.633  -4.435  -2.072
  279   1HE   LYS  34           HE2      LYS  34  15.836  -4.716  -0.978
  280   2HE   LYS  34           HE3      LYS  34  15.257  -6.155  -0.122
  281   1HZ   LYS  34           HZ1      LYS  34  16.538  -6.731  -2.056
  282   2HZ   LYS  34           HZ2      LYS  34  14.989  -7.249  -2.236
  283   3HZ   LYS  34           HZ3      LYS  34  15.511  -5.916  -3.047
  284    H    PHE  35           H        PHE  35   9.200  -1.818   1.155
  285    HA   PHE  35           HA       PHE  35  10.910   0.575   1.569
  286   1HB   PHE  35           HB2      PHE  35   9.070   0.174  -0.335
  287   2HB   PHE  35           HB3      PHE  35   7.981   0.497   0.976
  288    HD1  PHE  35           HD1      PHE  35   7.124   2.695   1.014
  289    HD2  PHE  35           HD2      PHE  35  11.179   2.036  -0.303
  290    HE1  PHE  35           HE1      PHE  35   7.423   5.131   0.687
  291    HE2  PHE  35           HE2      PHE  35  11.491   4.466  -0.567
  292    HZ   PHE  35           HZ       PHE  35   9.618   6.030  -0.066
  293    H    LEU  36           H        LEU  36   9.071  -1.641   3.488
  294    HA   LEU  36           HA       LEU  36   7.324  -0.027   4.912
  295   1HB   LEU  36           HB2      LEU  36   9.056  -2.389   5.746
  296   2HB   LEU  36           HB3      LEU  36   7.814  -1.732   6.805
  297    HG   LEU  36           HG       LEU  36   7.178  -2.670   3.998
  298   1HD1  LEU  36          HD11      LEU  36   8.150  -4.521   5.419
  299   2HD1  LEU  36          HD12      LEU  36   6.989  -4.130   6.696
  300   3HD1  LEU  36          HD13      LEU  36   6.420  -4.786   5.142
  301   1HD2  LEU  36          HD21      LEU  36   5.501  -1.211   4.868
  302   2HD2  LEU  36          HD22      LEU  36   4.891  -2.861   4.981
  303   3HD2  LEU  36          HD23      LEU  36   5.479  -2.042   6.443
  304    H    GLU  37           H        GLU  37  10.698  -0.725   5.826
  305    HA   GLU  37           HA       GLU  37  10.659   1.081   8.056
  306   1HB   GLU  37           HB2      GLU  37  12.173  -1.010   7.476
  307   2HB   GLU  37           HB3      GLU  37  13.210   0.198   6.705
  308   1HG   GLU  37           HG2      GLU  37  13.423   1.374   8.861
  309   2HG   GLU  37           HG3      GLU  37  12.220   0.296   9.595
  310    H    GLU  38           H        GLU  38  11.553   1.383   4.654
  311    HA   GLU  38           HA       GLU  38  12.954   3.855   4.743
  312   1HB   GLU  38           HB2      GLU  38  11.386   2.535   2.505
  313   2HB   GLU  38           HB3      GLU  38  12.546   3.809   2.289
  314   1HG   GLU  38           HG2      GLU  38  14.233   2.233   3.518
  315   2HG   GLU  38           HG3      GLU  38  13.082   0.945   3.125
  316    H    HIS  39           HN       HIS  39   9.555   3.035   4.294
  317    HA   HIS  39           HA       HIS  39   8.476   5.375   3.339
  318   1HB   HIS  39           HB2      HIS  39   7.226   3.338   3.466
  319   2HB   HIS  39           HB3      HIS  39   7.346   3.303   5.225
  320    HD1  HIS  39           HND      HIS  39   5.165   4.032   6.372
  321    HD2  HIS  39           HD       HIS  39   5.815   5.788   2.594
  322    HE1  HIS  39           HE       HIS  39   3.140   5.424   5.878
  323    HA   PRO  40           HA       PRO  40   9.220   7.874   7.094
  324   1HB   PRO  40           HB2      PRO  40   8.940  10.361   6.074
  325   2HB   PRO  40           HB3      PRO  40  10.315   9.315   5.620
  326   1HG   PRO  40           HG2      PRO  40   7.733   9.705   4.097
  327   2HG   PRO  40           HG3      PRO  40   9.396   9.849   3.459
  328   1HD   PRO  40           HD2      PRO  40   7.904   7.562   3.232
  329   2HD   PRO  40           HD3      PRO  40   9.679   7.502   3.456
  330    H    GLY  41           H        GLY  41   7.087   6.537   7.452
  331   1HA   GLY  41           HA1      GLY  41   5.113   8.317   8.571
  332   2HA   GLY  41           HA2      GLY  41   4.560   7.625   7.028
  333    H    GLY  42           H        GLY  42   6.603   6.079   9.497
  334   1HA   GLY  42           HA1      GLY  42   6.188   4.419  11.014
  335   2HA   GLY  42           HA2      GLY  42   4.458   4.658  10.765
  336    H    GLU  43           H        GLU  43   7.103   2.532  10.219
  337    HA   GLU  43           HA       GLU  43   6.146   1.049   8.018
  338   1HB   GLU  43           HB2      GLU  43   7.594  -0.598   8.598
  339   2HB   GLU  43           HB3      GLU  43   8.354   0.795   9.307
  340   1HG   GLU  43           HG2      GLU  43   8.653  -0.850  10.892
  341   2HG   GLU  43           HG3      GLU  43   7.236  -0.070  11.564
  342    H    ALA  44           H        ALA  44   5.432   0.778  11.481
  343    HA   ALA  44           HA       ALA  44   3.555  -1.213  11.567
  344   1HB   ALA  44           HB1      ALA  44   3.529   1.401  13.137
  345   2HB   ALA  44           HB2      ALA  44   2.673  -0.091  13.583
  346   3HB   ALA  44           HB3      ALA  44   4.447  -0.067  13.546
  347    H    VAL  45           H        VAL  45   2.894   2.242  10.781
  348    HA   VAL  45           HA       VAL  45   0.052   1.956  10.550
  349    HB   VAL  45           HB       VAL  45   2.076   3.958   9.498
  350   1HG1  VAL  45          HG11      VAL  45   0.446   4.058   7.809
  351   2HG1  VAL  45          HG12      VAL  45  -0.910   3.880   8.961
  352   3HG1  VAL  45          HG13      VAL  45   0.047   5.374   8.917
  353   1HG2  VAL  45          HG21      VAL  45   1.536   3.958  11.932
  354   2HG2  VAL  45          HG22      VAL  45   0.987   5.435  11.123
  355   3HG2  VAL  45          HG23      VAL  45  -0.183   4.165  11.534
  356    H    LEU  46           H        LEU  46   2.679   1.843   8.093
  357    HA   LEU  46           HA       LEU  46   0.996   1.217   5.904
  358   1HB   LEU  46           HB2      LEU  46   3.859   1.272   6.464
  359   2HB   LEU  46           HB3      LEU  46   3.482  -0.202   5.585
  360    HG   LEU  46           HG       LEU  46   2.770   2.615   4.680
  361   1HD1  LEU  46          HD11      LEU  46   4.544   2.335   3.048
  362   2HD1  LEU  46          HD12      LEU  46   5.232   1.966   4.645
  363   3HD1  LEU  46          HD13      LEU  46   4.813   0.652   3.537
  364   1HD2  LEU  46          HD21      LEU  46   2.264   1.496   2.502
  365   2HD2  LEU  46          HD22      LEU  46   2.478  -0.089   3.278
  366   3HD2  LEU  46          HD23      LEU  46   1.151   0.979   3.772
  367    H    ARG  47           H        ARG  47   2.524  -0.833   8.332
  368    HA   ARG  47           HA       ARG  47   2.036  -3.375   7.152
  369   1HB   ARG  47           HB2      ARG  47   3.680  -2.571   9.061
  370   2HB   ARG  47           HB3      ARG  47   2.308  -2.841  10.124
  371   1HG   ARG  47           HG2      ARG  47   3.508  -4.786  10.256
  372   2HG   ARG  47           HG3      ARG  47   2.227  -5.241   9.132
  373   1HD   ARG  47           HD2      ARG  47   3.672  -5.283   7.278
  374   2HD   ARG  47           HD3      ARG  47   4.822  -4.143   7.978
  375    HE   ARG  47           HE       ARG  47   4.886  -7.018   8.208
  376   1HH1  ARG  47          HH11      ARG  47   7.063  -7.140  10.938
  377   2HH1  ARG  47          HH12      ARG  47   6.198  -8.037   9.701
  378   1HH2  ARG  47          HH21      ARG  47   6.785  -4.640  11.016
  379   2HH2  ARG  47          HH22      ARG  47   5.852  -3.969   9.808
  380    H    ALA  48           H        ALA  48   0.291  -1.330   9.449
  381    HA   ALA  48           HA       ALA  48  -1.770  -3.208  10.146
  382   1HB   ALA  48           HB1      ALA  48  -1.079  -1.349  11.579
  383   2HB   ALA  48           HB2      ALA  48  -1.563  -0.175  10.344
  384   3HB   ALA  48           HB3      ALA  48  -2.800  -1.175  11.153
  385    H    GLN  49           H        GLN  49  -1.591  -0.412   7.844
  386    HA   GLN  49           HA       GLN  49  -4.268  -0.902   6.826
  387   1HB   GLN  49           HB2      GLN  49  -1.916   0.893   6.093
  388   2HB   GLN  49           HB3      GLN  49  -3.389   0.846   5.144
  389   1HG   GLN  49           HG2      GLN  49  -3.311   1.513   8.118
  390   2HG   GLN  49           HG3      GLN  49  -3.411   2.681   6.798
  391   1HE2  GLN  49          HE21      GLN  49  -5.283   0.475   8.766
  392   2HE2  GLN  49          HE22      GLN  49  -6.809   0.797   7.959
  393    H    ALA  50           H        ALA  50  -1.185  -2.302   6.153
  394    HA   ALA  50           HA       ALA  50  -1.360  -3.223   3.601
  395   1HB   ALA  50           HB1      ALA  50  -0.113  -5.140   4.347
  396   2HB   ALA  50           HB2      ALA  50   0.352  -3.784   5.388
  397   3HB   ALA  50           HB3      ALA  50  -0.776  -5.002   5.985
  398    H    GLY  51           H        GLY  51  -2.621  -4.602   2.430
  399   1HA   GLY  51           HA1      GLY  51  -3.691  -6.712   2.330
  400   2HA   GLY  51           HA2      GLY  51  -4.659  -6.353   3.775
  401    H    GLY  52           H        GLY  52  -5.133  -3.498   2.619
  402   1HA   GLY  52           HA1      GLY  52  -6.300  -3.254   0.220
  403   2HA   GLY  52           HA2      GLY  52  -7.469  -4.327   1.021
  404    H    ASP  53           H        ASP  53  -8.679  -2.258   0.444
  405    HA   ASP  53           HA       ASP  53  -9.357  -0.119   0.828
  406   1HB   ASP  53           HB2      ASP  53 -10.967  -1.760   1.765
  407   2HB   ASP  53           HB3      ASP  53 -10.213  -1.559   3.359
  408    H    ALA  54           H        ALA  54  -6.929   0.473   1.113
  409    HA   ALA  54           HA       ALA  54  -6.708   2.062   3.659
  410   1HB   ALA  54           HB1      ALA  54  -4.306   2.121   3.230
  411   2HB   ALA  54           HB2      ALA  54  -4.891   0.443   3.439
  412   3HB   ALA  54           HB3      ALA  54  -4.511   1.054   1.816
  413    H    THR  55           H        THR  55  -7.920   2.388   0.699
  414    HA   THR  55           HA       THR  55  -6.427   4.499  -0.501
  415    HB   THR  55           HB       THR  55  -9.409   3.833  -0.671
  416    HG1  THR  55           HG1      THR  55  -7.588   2.270  -1.362
  417   1HG2  THR  55          HG21      THR  55  -7.558   5.523  -2.407
  418   2HG2  THR  55          HG22      THR  55  -9.196   5.008  -2.892
  419   3HG2  THR  55          HG23      THR  55  -8.981   6.102  -1.517
  420    H    ALA  56           H        ALA  56  -9.282   4.539   1.676
  421    HA   ALA  56           HA       ALA  56  -9.463   7.353   1.911
  422   1HB   ALA  56           HB1      ALA  56 -10.790   6.861   3.944
  423   2HB   ALA  56           HB2      ALA  56 -11.263   5.811   2.595
  424   3HB   ALA  56           HB3      ALA  56 -10.245   5.170   3.903
  425    H    ASN  57           H        ASN  57  -7.704   4.976   4.010
  426    HA   ASN  57           HA       ASN  57  -6.860   6.989   5.815
  427   1HB   ASN  57           HB2      ASN  57  -6.836   4.465   6.149
  428   2HB   ASN  57           HB3      ASN  57  -5.294   4.451   5.276
  429   1HD2  ASN  57          HD21      ASN  57  -4.783   7.337   6.671
  430   2HD2  ASN  57          HD22      ASN  57  -4.318   6.823   8.280
  431    H    PHE  58           H        PHE  58  -5.190   5.536   2.978
  432    HA   PHE  58           HA       PHE  58  -2.815   7.029   3.001
  433   1HB   PHE  58           HB2      PHE  58  -3.182   5.187   1.490
  434   2HB   PHE  58           HB3      PHE  58  -4.525   6.009   0.712
  435    HD1  PHE  58           HD1      PHE  58  -0.831   6.062   1.146
  436    HD2  PHE  58           HD2      PHE  58  -4.193   7.590  -1.075
  437    HE1  PHE  58           HE1      PHE  58   0.707   6.875  -0.625
  438    HE2  PHE  58           HE2      PHE  58  -2.660   8.415  -2.828
  439    HZ   PHE  58           HZ       PHE  58  -0.202   8.052  -2.616
  440    H    GLU  59           H        GLU  59  -5.931   7.910   1.304
  441    HA   GLU  59           HA       GLU  59  -4.770  10.347   0.403
  442   1HB   GLU  59           HB2      GLU  59  -6.791  10.844  -0.640
  443   2HB   GLU  59           HB3      GLU  59  -6.462   9.120  -0.809
  444   1HG   GLU  59           HG2      GLU  59  -8.723   9.092  -0.356
  445   2HG   GLU  59           HG3      GLU  59  -8.043   8.869   1.259
  446    H    ALA  60           H        ALA  60  -6.887   9.576   3.153
  447    HA   ALA  60           HA       ALA  60  -7.290  12.093   4.233
  448   1HB   ALA  60           HB1      ALA  60  -7.405  10.947   6.430
  449   2HB   ALA  60           HB2      ALA  60  -8.284  10.070   5.165
  450   3HB   ALA  60           HB3      ALA  60  -6.695   9.491   5.707
  451    H    VAL  61           H        VAL  61  -4.352  10.019   4.635
  452    HA   VAL  61           HA       VAL  61  -2.903  11.890   6.255
  453    HB   VAL  61           HB       VAL  61  -2.033   9.690   4.358
  454   1HG1  VAL  61          HG11      VAL  61  -0.185  11.288   4.308
  455   2HG1  VAL  61          HG12      VAL  61  -0.250  11.455   6.078
  456   3HG1  VAL  61          HG13      VAL  61   0.236   9.924   5.326
  457   1HG2  VAL  61          HG21      VAL  61  -1.843   9.957   7.384
  458   2HG2  VAL  61          HG22      VAL  61  -3.137   9.088   6.542
  459   3HG2  VAL  61          HG23      VAL  61  -1.466   8.523   6.404
  460    H    GLY  62           H        GLY  62  -3.507  11.797   2.763
  461   1HA   GLY  62           HA1      GLY  62  -3.490  13.897   1.609
  462   2HA   GLY  62           HA2      GLY  62  -2.004  14.377   2.431
  463    H    HIS  63           HN       HIS  63  -0.096  12.991   2.060
  464    HA   HIS  63           HA       HIS  63   1.493  12.081   0.774
  465   1HB   HIS  63           HB2      HIS  63  -0.835  10.619  -0.524
  466   2HB   HIS  63           HB3      HIS  63   0.838  10.408  -1.004
  467    HD1  HIS  63           HND      HIS  63  -1.478   9.528   1.924
  468    HD2  HIS  63           HD       HIS  63   2.532   9.246   0.666
  469    HE1  HIS  63           HE       HIS  63  -0.324   7.913   3.509
  470    H    SER  64           H        SER  64   2.395  13.919  -0.050
  471    HA   SER  64           HA       SER  64   1.421  15.543  -2.040
  472   1HB   SER  64           HB2      SER  64   4.329  14.916  -1.367
  473   2HB   SER  64           HB3      SER  64   3.714  16.426  -2.075
  474    HG   SER  64           HG       SER  64   3.867  15.771   0.485
  475    H    THR  65           H        THR  65   2.855  16.023  -4.128
  476    HA   THR  65           HA       THR  65   2.076  14.194  -6.116
  477    HB   THR  65           HB       THR  65   3.830  15.670  -7.411
  478    HG1  THR  65           HG1      THR  65   4.531  17.452  -6.177
  479   1HG2  THR  65          HG21      THR  65   2.368  17.664  -7.325
  480   2HG2  THR  65          HG22      THR  65   1.399  16.181  -7.397
  481   3HG2  THR  65          HG23      THR  65   1.582  17.049  -5.857
  482    H    ASP  66           H        ASP  66   5.310  14.879  -4.786
  483    HA   ASP  66           HA       ASP  66   6.920  12.954  -5.943
  484   1HB   ASP  66           HB2      ASP  66   7.614  14.521  -4.116
  485   2HB   ASP  66           HB3      ASP  66   6.686  13.623  -2.936
  486    H    ALA  67           H        ALA  67   5.001  12.421  -3.049
  487    HA   ALA  67           HA       ALA  67   5.439   9.625  -2.861
  488   1HB   ALA  67           HB1      ALA  67   3.565   9.539  -1.326
  489   2HB   ALA  67           HB2      ALA  67   4.569  10.966  -0.990
  490   3HB   ALA  67           HB3      ALA  67   3.017  11.147  -1.830
  491    H    ARG  68           H        ARG  68   2.798  11.424  -4.439
  492    HA   ARG  68           HA       ARG  68   1.254   9.173  -5.327
  493   1HB   ARG  68           HB2      ARG  68   1.459  12.065  -6.201
  494   2HB   ARG  68           HB3      ARG  68   0.414  10.910  -7.031
  495   1HG   ARG  68           HG2      ARG  68  -0.840  10.454  -5.087
  496   2HG   ARG  68           HG3      ARG  68   0.248  11.367  -4.025
  497   1HD   ARG  68           HD2      ARG  68  -0.638  13.407  -4.708
  498   2HD   ARG  68           HD3      ARG  68  -0.945  12.820  -6.343
  499    HE   ARG  68           HE       ARG  68  -3.075  12.358  -5.833
  500   1HH1  ARG  68          HH11      ARG  68  -4.773  11.869  -2.780
  501   2HH1  ARG  68          HH12      ARG  68  -4.959  11.986  -4.502
  502   1HH2  ARG  68          HH21      ARG  68  -2.629  12.175  -1.766
  503   2HH2  ARG  68          HH22      ARG  68  -1.285  12.429  -2.787
  504    H    GLU  69           H        GLU  69   4.216  10.682  -6.613
  505    HA   GLU  69           HA       GLU  69   4.068   9.100  -9.065
  506   1HB   GLU  69           HB2      GLU  69   5.762  11.211  -7.869
  507   2HB   GLU  69           HB3      GLU  69   6.565  10.161  -9.027
  508   1HG   GLU  69           HG2      GLU  69   3.873  11.540  -9.520
  509   2HG   GLU  69           HG3      GLU  69   5.432  12.206  -9.987
  510    H    LEU  70           H        LEU  70   6.131   9.153  -6.191
  511    HA   LEU  70           HA       LEU  70   7.719   7.017  -6.597
  512   1HB   LEU  70           HB2      LEU  70   7.801   8.683  -4.776
  513   2HB   LEU  70           HB3      LEU  70   6.432   7.875  -4.014
  514    HG   LEU  70           HG       LEU  70   7.638   6.349  -2.998
  515   1HD1  LEU  70          HD11      LEU  70   9.664   5.259  -3.917
  516   2HD1  LEU  70          HD12      LEU  70   8.145   5.085  -4.815
  517   3HD1  LEU  70          HD13      LEU  70   9.410   6.201  -5.413
  518   1HD2  LEU  70          HD21      LEU  70   9.919   8.231  -3.731
  519   2HD2  LEU  70          HD22      LEU  70   8.747   8.497  -2.421
  520   3HD2  LEU  70          HD23      LEU  70   9.872   7.125  -2.343
  521    H    SER  71           H        SER  71   4.655   6.865  -4.865
  522    HA   SER  71           HA       SER  71   4.057   4.184  -4.579
  523   1HB   SER  71           HB2      SER  71   1.693   4.790  -5.069
  524   2HB   SER  71           HB3      SER  71   2.524   5.874  -3.921
  525    HG   SER  71           HG       SER  71   2.761   7.383  -5.462
  526    H    LYS  72           H        LYS  72   3.841   5.901  -7.754
  527    HA   LYS  72           HA       LYS  72   2.691   3.667  -9.097
  528   1HB   LYS  72           HB2      LYS  72   4.153   6.069 -10.213
  529   2HB   LYS  72           HB3      LYS  72   3.262   4.880 -11.167
  530   1HG   LYS  72           HG2      LYS  72   1.178   5.398 -10.135
  531   2HG   LYS  72           HG3      LYS  72   1.924   6.292  -8.823
  532   1HD   LYS  72           HD2      LYS  72   0.770   7.755 -10.329
  533   2HD   LYS  72           HD3      LYS  72   2.458   8.165 -10.184
  534   1HE   LYS  72           HE2      LYS  72   1.539   6.453 -12.518
  535   2HE   LYS  72           HE3      LYS  72   1.270   8.205 -12.516
  536   1HZ   LYS  72           HZ1      LYS  72   3.345   7.706 -13.567
  537   2HZ   LYS  72           HZ2      LYS  72   3.555   8.602 -12.214
  538   3HZ   LYS  72           HZ3      LYS  72   3.928   7.005 -12.186
  539    H    THR  73           H        THR  73   6.017   4.342  -8.189
  540    HA   THR  73           HA       THR  73   7.266   2.488 -10.010
  541    HB   THR  73           HB       THR  73   8.258   3.547  -7.326
  542    HG1  THR  73           HG1      THR  73   8.309   4.662  -9.933
  543   1HG2  THR  73          HG21      THR  73   9.754   2.496  -9.752
  544   2HG2  THR  73          HG22      THR  73  10.491   3.377  -8.395
  545   3HG2  THR  73          HG23      THR  73   9.726   1.813  -8.106
  546    H    PHE  74           H        PHE  74   5.276   2.048  -7.246
  547    HA   PHE  74           HA       PHE  74   6.362  -0.690  -6.700
  548   1HB   PHE  74           HB2      PHE  74   4.767   1.222  -4.946
  549   2HB   PHE  74           HB3      PHE  74   5.111  -0.454  -4.557
  550    HD1  PHE  74           HD1      PHE  74   7.603  -1.216  -4.557
  551    HD2  PHE  74           HD2      PHE  74   6.322   2.887  -4.164
  552    HE1  PHE  74           HE1      PHE  74   9.720  -0.664  -3.401
  553    HE2  PHE  74           HE2      PHE  74   8.396   3.396  -2.887
  554    HZ   PHE  74           HZ       PHE  74  10.132   1.651  -2.600
  555    H    ILE  75           H        ILE  75   4.137   0.863  -8.577
  556    HA   ILE  75           HA       ILE  75   1.731  -0.511  -7.871
  557    HB   ILE  75           HB       ILE  75   2.259   1.543  -9.447
  558   1HG1  ILE  75          HG12      ILE  75   0.037   0.994  -8.743
  559   2HG1  ILE  75          HG13      ILE  75   0.088   1.443 -10.450
  560   1HG2  ILE  75          HG21      ILE  75   2.090  -0.681 -11.510
  561   2HG2  ILE  75          HG22      ILE  75   2.088   1.066 -11.827
  562   3HG2  ILE  75          HG23      ILE  75   3.525   0.284 -11.147
  563   1HD1  ILE  75          HD11      ILE  75  -0.151  -1.312  -9.277
  564   2HD1  ILE  75          HD12      ILE  75  -1.409  -0.404 -10.127
  565   3HD1  ILE  75          HD13      ILE  75  -0.003  -1.011 -11.024
  566    H    ILE  76           H        ILE  76   1.148  -2.604  -8.263
  567    HA   ILE  76           HA       ILE  76   2.856  -4.273 -10.104
  568    HB   ILE  76           HB       ILE  76   1.960  -6.187  -8.704
  569   1HG1  ILE  76          HG12      ILE  76   1.454  -3.997  -6.626
  570   2HG1  ILE  76          HG13      ILE  76   0.167  -4.725  -7.574
  571   1HG2  ILE  76          HG21      ILE  76   4.282  -5.288  -8.660
  572   2HG2  ILE  76          HG22      ILE  76   3.811  -4.161  -7.377
  573   3HG2  ILE  76          HG23      ILE  76   3.790  -5.919  -7.096
  574   1HD1  ILE  76          HD11      ILE  76   1.908  -6.683  -6.192
  575   2HD1  ILE  76          HD12      ILE  76   0.950  -5.599  -5.163
  576   3HD1  ILE  76          HD13      ILE  76   0.147  -6.611  -6.378
  577    H    GLY  77           H        GLY  77  -0.487  -3.375  -9.195
  578   1HA   GLY  77           HA1      GLY  77  -1.477  -3.850 -11.778
  579   2HA   GLY  77           HA2      GLY  77  -1.830  -5.285 -10.779
  580    H    GLU  78           H        GLU  78  -4.025  -4.683 -11.067
  581    HA   GLU  78           HA       GLU  78  -4.967  -2.411  -9.397
  582   1HB   GLU  78           HB2      GLU  78  -5.565  -3.118 -12.228
  583   2HB   GLU  78           HB3      GLU  78  -6.975  -2.891 -11.221
  584   1HG   GLU  78           HG2      GLU  78  -5.960  -0.656 -10.493
  585   2HG   GLU  78           HG3      GLU  78  -4.737  -0.963 -11.755
  586    H    LEU  79           H        LEU  79  -7.127  -2.677  -8.740
  587    HA   LEU  79           HA       LEU  79  -7.648  -5.059  -7.298
  588   1HB   LEU  79           HB2      LEU  79  -8.531  -2.767  -6.808
  589   2HB   LEU  79           HB3      LEU  79  -9.502  -2.847  -8.282
  590    HG   LEU  79           HG       LEU  79 -10.651  -4.889  -7.342
  591   1HD1  LEU  79          HD11      LEU  79  -8.649  -4.412  -5.200
  592   2HD1  LEU  79          HD12      LEU  79 -10.300  -4.620  -4.606
  593   3HD1  LEU  79          HD13      LEU  79  -9.562  -5.890  -5.596
  594   1HD2  LEU  79          HD21      LEU  79 -11.567  -2.664  -7.303
  595   2HD2  LEU  79          HD22      LEU  79 -12.069  -3.585  -5.889
  596   3HD2  LEU  79          HD23      LEU  79 -10.805  -2.341  -5.718
  597    H    HIS  80           H        HIS  80  -8.611  -6.923  -7.921
  598    HA   HIS  80           HA       HIS  80  -9.040  -7.650 -10.570
  599   1HB   HIS  80           HB2      HIS  80  -8.802  -9.092  -8.490
  600   2HB   HIS  80           HB3      HIS  80 -10.554  -8.956  -8.303
  601    HD1  HIS  80           HD1      HIS  80 -11.928 -10.522 -10.060
  602    HD2  HIS  80           HD2      HIS  80  -7.747 -10.449 -10.515
  603    HE1  HIS  80           HE1      HIS  80 -11.372 -12.305 -11.742
  604    HA   PRO  81           HA       PRO  81 -12.913  -5.805 -11.708
  605   1HB   PRO  81           HB2      PRO  81 -13.630  -7.363 -13.841
  606   2HB   PRO  81           HB3      PRO  81 -12.351  -6.112 -13.868
  607   1HG   PRO  81           HG2      PRO  81 -12.000  -9.095 -13.412
  608   2HG   PRO  81           HG3      PRO  81 -11.118  -8.063 -14.583
  609   1HD   PRO  81           HD2      PRO  81 -10.052  -8.662 -12.229
  610   2HD   PRO  81           HD3      PRO  81  -9.919  -6.984 -12.823
  611    H    ASP  82           H        ASP  82 -12.633  -8.816 -10.224
  612    HA   ASP  82           HA       ASP  82 -15.493  -9.527 -10.234
  613   1HB   ASP  82           HB2      ASP  82 -13.731 -11.286 -10.220
  614   2HB   ASP  82           HB3      ASP  82 -13.173 -10.672  -8.624
  615    H    ASP  83           H        ASP  83 -13.166  -7.657  -8.334
  616    HA   ASP  83           HA       ASP  83 -14.680  -7.728  -5.828
  617   1HB   ASP  83           HB2      ASP  83 -12.271  -7.530  -5.789
  618   2HB   ASP  83           HB3      ASP  83 -12.362  -6.057  -6.798
  619    H    ARG  84           H        ARG  84 -13.858  -5.272  -8.239
  620    HA   ARG  84           HA       ARG  84 -15.462  -3.229  -7.108
  621   1HB   ARG  84           HB2      ARG  84 -14.826  -1.908  -9.028
  622   2HB   ARG  84           HB3      ARG  84 -13.437  -2.847  -8.451
  623   1HG   ARG  84           HG2      ARG  84 -13.874  -4.533 -10.253
  624   2HG   ARG  84           HG3      ARG  84 -15.197  -3.531 -10.840
  625   1HD   ARG  84           HD2      ARG  84 -13.406  -3.000 -12.250
  626   2HD   ARG  84           HD3      ARG  84 -13.578  -1.630 -11.131
  627    HE   ARG  84           HE       ARG  84 -11.652  -3.641 -10.235
  628   1HH1  ARG  84          HH11      ARG  84  -8.842  -1.808 -11.440
  629   2HH1  ARG  84          HH12      ARG  84  -9.345  -3.263 -10.593
  630   1HH2  ARG  84          HH21      ARG  84 -10.277  -0.534 -12.478
  631   2HH2  ARG  84          HH22      ARG  84 -12.014  -0.790 -12.380
  632    HHA  HEM 201           HGM      HEM 201   4.515  10.867   5.104
  633    HHB  HEM 201           HDM      HEM 201   5.701   7.740  -0.419
  634    HHC  HEM 201           HAM      HEM 201   0.987   3.590   0.920
  635    HHD  HEM 201           HBM      HEM 201   0.155   6.386   6.711
  636   1HMA  HEM 201          HM81      HEM 201   7.933   9.966   0.858
  637   2HMA  HEM 201          HM82      HEM 201   6.823   9.608  -0.473
  638   3HMA  HEM 201          HM83      HEM 201   6.809  11.199   0.262
  639   1HAA  HEM 201          HAA1      HEM 201   6.191  11.975   3.988
  640   2HAA  HEM 201          HAA2      HEM 201   6.885  12.072   2.383
  641   1HBA  HEM 201          HBA1      HEM 201   4.046  12.754   3.209
  642   2HBA  HEM 201          HBA2      HEM 201   4.483  12.456   1.517
  643   1HMB  HEM 201          HM11      HEM 201   4.808   6.439  -2.598
  644   2HMB  HEM 201          HM12      HEM 201   5.995   5.561  -1.615
  645   3HMB  HEM 201          HM13      HEM 201   4.786   4.663  -2.520
  646    HAB  HEM 201          HT2A      HEM 201   2.599   2.671  -1.103
  647   1HBB  HEM 201          HV2C      HEM 201   1.121   4.930  -2.429
  648   2HBB  HEM 201          HV2T      HEM 201   1.147   3.112  -2.877
  649   1HMC  HEM 201          HM31      HEM 201  -1.141   2.184   3.686
  650   2HMC  HEM 201          HM32      HEM 201  -1.933   3.299   2.560
  651   3HMC  HEM 201          HM33      HEM 201  -0.490   2.396   2.052
  652    HAC  HEM 201          HT4A      HEM 201  -1.116   3.336   6.223
  653   1HBC  HEM 201          HV4C      HEM 201  -2.417   6.023   5.530
  654   2HBC  HEM 201          HV4T      HEM 201  -2.515   5.072   7.137
  655   1HMD  HEM 201          HM51      HEM 201   0.094   8.513   8.319
  656   2HMD  HEM 201          HM52      HEM 201   1.353   7.327   8.746
  657   3HMD  HEM 201          HM53      HEM 201   1.580   9.031   9.127
  658   1HAD  HEM 201          HAD1      HEM 201   3.565  10.124   8.534
  659   2HAD  HEM 201          HAD2      HEM 201   4.017  11.170   7.215
  660   1HBD  HEM 201          HBD1      HEM 201   2.121  12.421   7.340
  661   2HBD  HEM 201          HBD2      HEM 201   1.158  11.119   8.041
  Start of MODEL   14
    1   1H    ALA   3           H1       ALA   3   1.418  -9.598 -18.210
    2   2H    ALA   3           H2       ALA   3   0.455 -10.039 -19.464
    3   3H    ALA   3           H3       ALA   3   1.962  -9.403 -19.779
    4    HA   ALA   3           HA       ALA   3   1.325  -7.293 -19.400
    5   1HB   ALA   3           HB1      ALA   3  -1.407  -8.655 -19.668
    6   2HB   ALA   3           HB2      ALA   3  -1.129  -6.911 -19.816
    7   3HB   ALA   3           HB3      ALA   3  -0.413  -8.016 -20.998
    8    H    VAL   4           H        VAL   4  -0.524  -5.936 -17.935
    9    HA   VAL   4           HA       VAL   4   0.153  -6.427 -15.238
   10    HB   VAL   4           HB       VAL   4  -0.679  -4.294 -16.164
   11   1HG1  VAL   4          HG11      VAL   4  -2.992  -3.844 -16.575
   12   2HG1  VAL   4          HG12      VAL   4  -2.638  -5.320 -17.491
   13   3HG1  VAL   4          HG13      VAL   4  -3.501  -5.418 -15.943
   14   1HG2  VAL   4          HG21      VAL   4  -2.274  -5.319 -13.783
   15   2HG2  VAL   4          HG22      VAL   4  -0.625  -4.651 -13.755
   16   3HG2  VAL   4          HG23      VAL   4  -1.997  -3.622 -14.215
   17    H    LYS   5           H        LYS   5  -0.840  -7.577 -13.642
   18    HA   LYS   5           HA       LYS   5  -3.162  -9.335 -14.352
   19   1HB   LYS   5           HB2      LYS   5  -1.061 -10.648 -14.227
   20   2HB   LYS   5           HB3      LYS   5  -0.770  -9.996 -12.605
   21   1HG   LYS   5           HG2      LYS   5  -3.097 -10.958 -11.983
   22   2HG   LYS   5           HG3      LYS   5  -3.040 -11.827 -13.525
   23   1HD   LYS   5           HD2      LYS   5  -1.017 -13.009 -12.821
   24   2HD   LYS   5           HD3      LYS   5  -0.857 -11.952 -11.400
   25   1HE   LYS   5           HE2      LYS   5  -3.130 -12.808 -10.604
   26   2HE   LYS   5           HE3      LYS   5  -3.059 -14.010 -11.903
   27   1HZ   LYS   5           HZ1      LYS   5  -2.271 -14.912  -9.855
   28   2HZ   LYS   5           HZ2      LYS   5  -0.985 -14.799 -10.877
   29   3HZ   LYS   5           HZ3      LYS   5  -1.172 -13.709  -9.655
   30    H    TYR   6           H        TYR   6  -4.728  -8.114 -13.433
   31    HA   TYR   6           HA       TYR   6  -4.488  -6.567 -11.089
   32   1HB   TYR   6           HB2      TYR   6  -6.996  -7.981 -12.068
   33   2HB   TYR   6           HB3      TYR   6  -6.871  -6.523 -11.073
   34    HD1  TYR   6           HD1      TYR   6  -6.606  -7.894 -14.510
   35    HD2  TYR   6           HD2      TYR   6  -6.615  -4.363 -12.063
   36    HE1  TYR   6           HE1      TYR   6  -6.567  -6.492 -16.545
   37    HE2  TYR   6           HE2      TYR   6  -6.572  -2.943 -14.113
   38    HH   TYR   6           HH       TYR   6  -6.353  -4.345 -17.384
   39    H    TYR   7           H        TYR   7  -5.420  -7.021  -8.914
   40    HA   TYR   7           HA       TYR   7  -5.278  -9.923  -8.175
   41   1HB   TYR   7           HB2      TYR   7  -4.270  -7.627  -6.499
   42   2HB   TYR   7           HB3      TYR   7  -4.105  -9.351  -6.190
   43    HD1  TYR   7           HD1      TYR   7  -2.533 -10.718  -7.655
   44    HD2  TYR   7           HD2      TYR   7  -2.734  -6.422  -7.833
   45    HE1  TYR   7           HE1      TYR   7  -0.348 -10.655  -8.853
   46    HE2  TYR   7           HE2      TYR   7  -0.609  -6.364  -9.072
   47    HH   TYR   7           HH       TYR   7   1.030  -7.577 -10.079
   48    H    THR   8           H        THR   8  -6.766 -10.621  -6.702
   49    HA   THR   8           HA       THR   8  -9.200  -9.029  -6.425
   50    HB   THR   8           HB       THR   8 -10.146 -11.015  -5.486
   51    HG1  THR   8           HG1      THR   8  -7.918 -12.628  -5.560
   52   1HG2  THR   8          HG21      THR   8  -9.930 -12.565  -7.269
   53   2HG2  THR   8          HG22      THR   8  -9.593 -10.986  -7.985
   54   3HG2  THR   8          HG23      THR   8  -8.255 -12.091  -7.621
   55    H    LEU   9           H        LEU   9 -10.189  -8.486  -4.311
   56    HA   LEU   9           HA       LEU   9  -8.431  -7.403  -2.461
   57   1HB   LEU   9           HB2      LEU   9 -11.197  -7.572  -2.774
   58   2HB   LEU   9           HB3      LEU   9 -10.956  -8.369  -1.262
   59    HG   LEU   9           HG       LEU   9 -10.075  -5.554  -2.029
   60   1HD1  LEU   9          HD11      LEU   9 -12.498  -5.866  -1.414
   61   2HD1  LEU   9          HD12      LEU   9 -11.983  -6.442   0.176
   62   3HD1  LEU   9          HD13      LEU   9 -11.621  -4.778  -0.334
   63   1HD2  LEU   9          HD21      LEU   9  -9.678  -6.843   0.711
   64   2HD2  LEU   9          HD22      LEU   9  -8.357  -6.563  -0.438
   65   3HD2  LEU   9          HD23      LEU   9  -9.246  -5.194   0.222
   66    H    GLU  10           H        GLU  10  -9.872 -10.640  -2.611
   67    HA   GLU  10           HA       GLU  10  -9.020 -11.671  -0.139
   68   1HB   GLU  10           HB2      GLU  10 -10.573 -12.739  -1.837
   69   2HB   GLU  10           HB3      GLU  10  -9.152 -13.223  -2.749
   70   1HG   GLU  10           HG2      GLU  10  -9.859 -15.081  -1.369
   71   2HG   GLU  10           HG3      GLU  10  -8.324 -14.486  -0.730
   72    H    GLU  11           H        GLU  11  -7.401 -12.030  -3.334
   73    HA   GLU  11           HA       GLU  11  -5.071 -13.234  -2.266
   74   1HB   GLU  11           HB2      GLU  11  -5.807 -12.229  -4.888
   75   2HB   GLU  11           HB3      GLU  11  -4.213 -11.614  -4.473
   76   1HG   GLU  11           HG2      GLU  11  -3.713 -13.629  -5.505
   77   2HG   GLU  11           HG3      GLU  11  -3.616 -14.061  -3.803
   78    H    ILE  12           H        ILE  12  -5.751  -9.786  -2.880
   79    HA   ILE  12           HA       ILE  12  -3.232  -8.835  -2.036
   80    HB   ILE  12           HB       ILE  12  -5.980  -7.507  -1.944
   81   1HG1  ILE  12          HG12      ILE  12  -3.798  -7.008  -3.992
   82   2HG1  ILE  12          HG13      ILE  12  -4.930  -8.330  -4.221
   83   1HG2  ILE  12          HG21      ILE  12  -4.685  -6.108  -0.563
   84   2HG2  ILE  12          HG22      ILE  12  -3.188  -6.460  -1.456
   85   3HG2  ILE  12          HG23      ILE  12  -4.391  -5.390  -2.157
   86   1HD1  ILE  12          HD11      ILE  12  -5.734  -5.424  -3.884
   87   2HD1  ILE  12          HD12      ILE  12  -5.730  -6.326  -5.388
   88   3HD1  ILE  12          HD13      ILE  12  -6.850  -6.775  -4.106
   89    H    GLN  13           H        GLN  13  -6.236  -9.407  -0.137
   90    HA   GLN  13           HA       GLN  13  -5.395  -8.598   2.406
   91   1HB   GLN  13           HB2      GLN  13  -7.446 -10.496   1.320
   92   2HB   GLN  13           HB3      GLN  13  -7.067 -10.591   3.004
   93   1HG   GLN  13           HG2      GLN  13  -7.557  -7.823   1.927
   94   2HG   GLN  13           HG3      GLN  13  -8.935  -8.926   1.923
   95   1HE2  GLN  13          HE21      GLN  13  -9.508  -6.891   3.416
   96   2HE2  GLN  13          HE22      GLN  13  -9.281  -7.236   5.123
   97    H    LYS  14           H        LYS  14  -4.947 -11.794   0.779
   98    HA   LYS  14           HA       LYS  14  -3.762 -13.044   3.026
   99   1HB   LYS  14           HB2      LYS  14  -3.298 -13.537   0.051
  100   2HB   LYS  14           HB3      LYS  14  -2.568 -14.468   1.356
  101   1HG   LYS  14           HG2      LYS  14  -5.026 -14.731   2.234
  102   2HG   LYS  14           HG3      LYS  14  -5.517 -14.313   0.609
  103   1HD   LYS  14           HD2      LYS  14  -3.387 -16.454   0.816
  104   2HD   LYS  14           HD3      LYS  14  -4.901 -16.836   1.613
  105   1HE   LYS  14           HE2      LYS  14  -4.947 -17.742  -0.623
  106   2HE   LYS  14           HE3      LYS  14  -6.174 -16.479  -0.457
  107   1HZ   LYS  14           HZ1      LYS  14  -5.018 -16.206  -2.521
  108   2HZ   LYS  14           HZ2      LYS  14  -4.621 -14.974  -1.550
  109   3HZ   LYS  14           HZ3      LYS  14  -3.551 -16.197  -1.793
  110    H    HIS  15           H        HIS  15  -2.419 -10.538   0.993
  111    HA   HIS  15           HA       HIS  15   0.344 -10.987   2.038
  112   1HB   HIS  15           HB2      HIS  15  -0.787  -9.196  -0.117
  113   2HB   HIS  15           HB3      HIS  15   0.877  -9.099   0.474
  114    HD1  HIS  15           HD1      HIS  15   2.357 -10.175  -1.337
  115    HD2  HIS  15           HD2      HIS  15  -1.316 -12.137  -0.755
  116    HE1  HIS  15           HE1      HIS  15   2.363 -12.212  -2.862
  117    H    ASN  16           H        ASN  16  -0.724 -10.573   4.178
  118    HA   ASN  16           HA       ASN  16  -0.703  -7.641   4.846
  119   1HB   ASN  16           HB2      ASN  16  -2.265  -8.091   6.634
  120   2HB   ASN  16           HB3      ASN  16  -2.951  -8.664   5.128
  121   1HD2  ASN  16          HD21      ASN  16  -2.918 -10.966   4.676
  122   2HD2  ASN  16          HD22      ASN  16  -2.845 -12.142   5.971
  123    H    ASN  17           H        ASN  17   1.808  -9.163   4.814
  124    HA   ASN  17           HA       ASN  17   2.304  -9.274   7.769
  125   1HB   ASN  17           HB2      ASN  17   1.915 -11.590   6.481
  126   2HB   ASN  17           HB3      ASN  17   3.603 -11.344   6.020
  127   1HD2  ASN  17          HD21      ASN  17   3.171 -13.553   7.416
  128   2HD2  ASN  17          HD22      ASN  17   3.438 -13.369   9.146
  129    H    SER  18           H        SER  18   4.642  -9.085   8.348
  130    HA   SER  18           HA       SER  18   5.915  -6.967   7.076
  131   1HB   SER  18           HB2      SER  18   7.162  -9.271   8.640
  132   2HB   SER  18           HB3      SER  18   7.978  -7.750   8.230
  133    HG   SER  18           HG       SER  18   7.067  -7.125  10.047
  134    H    LYS  19           H        LYS  19   6.175 -10.400   6.375
  135    HA   LYS  19           HA       LYS  19   8.222 -10.431   4.413
  136   1HB   LYS  19           HB2      LYS  19   5.788 -12.126   5.048
  137   2HB   LYS  19           HB3      LYS  19   6.784 -12.494   3.640
  138   1HG   LYS  19           HG2      LYS  19   8.546 -13.226   4.803
  139   2HG   LYS  19           HG3      LYS  19   8.379 -12.068   6.115
  140   1HD   LYS  19           HD2      LYS  19   6.312 -14.272   5.863
  141   2HD   LYS  19           HD3      LYS  19   7.932 -14.678   6.451
  142   1HE   LYS  19           HE2      LYS  19   7.779 -12.919   8.203
  143   2HE   LYS  19           HE3      LYS  19   6.136 -12.522   7.674
  144   1HZ   LYS  19           HZ1      LYS  19   5.459 -14.713   8.320
  145   2HZ   LYS  19           HZ2      LYS  19   7.000 -15.143   8.720
  146   3HZ   LYS  19           HZ3      LYS  19   6.218 -13.988   9.585
  147    H    SER  20           H        SER  20   4.751  -9.505   4.085
  148    HA   SER  20           HA       SER  20   5.243  -8.415   1.466
  149   1HB   SER  20           HB2      SER  20   3.503 -10.885   1.740
  150   2HB   SER  20           HB3      SER  20   3.433  -9.695   0.434
  151    HG   SER  20           HG       SER  20   5.992 -10.448   0.863
  152    H    THR  21           H        THR  21   4.521  -6.556   2.232
  153    HA   THR  21           HA       THR  21   1.745  -6.251   3.250
  154    HB   THR  21           HB       THR  21   4.250  -4.560   3.230
  155    HG1  THR  21           HG1      THR  21   3.704  -6.141   4.857
  156   1HG2  THR  21          HG21      THR  21   2.561  -2.888   4.482
  157   2HG2  THR  21          HG22      THR  21   2.945  -2.782   2.755
  158   3HG2  THR  21          HG23      THR  21   1.444  -3.538   3.273
  159    H    TRP  22           H        TRP  22   0.439  -6.472   1.503
  160    HA   TRP  22           HA       TRP  22   0.799  -4.580  -0.799
  161   1HB   TRP  22           HB2      TRP  22  -0.931  -7.046  -0.419
  162   2HB   TRP  22           HB3      TRP  22  -0.997  -5.958  -1.798
  163    HD1  TRP  22           HD1      TRP  22   2.553  -6.599  -0.834
  164    HE1  TRP  22           HE1      TRP  22   3.674  -7.869  -2.586
  165    HE3  TRP  22           HE3      TRP  22  -1.615  -8.028  -3.412
  166    HZ2  TRP  22           HZ2      TRP  22   2.889  -9.450  -4.979
  167    HZ3  TRP  22           HZ3      TRP  22  -1.418  -9.496  -5.360
  168    HH2  TRP  22           HH2      TRP  22   0.847 -10.122  -6.249
  169    H    LEU  23           H        LEU  23  -1.625  -3.883  -1.460
  170    HA   LEU  23           HA       LEU  23  -3.679  -3.592   0.363
  171   1HB   LEU  23           HB2      LEU  23  -3.260  -1.137   1.058
  172   2HB   LEU  23           HB3      LEU  23  -2.486  -2.410   1.950
  173    HG   LEU  23           HG       LEU  23  -0.404  -1.971   0.326
  174   1HD1  LEU  23          HD11      LEU  23  -1.861   0.625   0.148
  175   2HD1  LEU  23          HD12      LEU  23  -0.219   0.301  -0.435
  176   3HD1  LEU  23          HD13      LEU  23  -1.594  -0.462  -1.242
  177   1HD2  LEU  23          HD21      LEU  23   0.042  -1.519   2.489
  178   2HD2  LEU  23          HD22      LEU  23   0.035   0.132   1.834
  179   3HD2  LEU  23          HD23      LEU  23  -1.386  -0.477   2.716
  180    H    ILE  24           H        ILE  24  -5.067  -1.613  -0.234
  181    HA   ILE  24           HA       ILE  24  -4.829  -1.110  -3.178
  182    HB   ILE  24           HB       ILE  24  -7.297  -1.577  -1.524
  183   1HG1  ILE  24          HG12      ILE  24  -6.249  -3.221  -3.866
  184   2HG1  ILE  24          HG13      ILE  24  -5.702  -3.540  -2.226
  185   1HG2  ILE  24          HG21      ILE  24  -7.731   0.060  -3.356
  186   2HG2  ILE  24          HG22      ILE  24  -7.044  -1.088  -4.526
  187   3HG2  ILE  24          HG23      ILE  24  -8.533  -1.484  -3.641
  188   1HD1  ILE  24          HD11      ILE  24  -7.401  -4.974  -2.102
  189   2HD1  ILE  24          HD12      ILE  24  -8.326  -3.538  -1.646
  190   3HD1  ILE  24          HD13      ILE  24  -8.374  -4.137  -3.307
  191    H    LEU  25           H        LEU  25  -4.429   0.901  -3.627
  192    HA   LEU  25           HA       LEU  25  -5.463   3.208  -1.987
  193   1HB   LEU  25           HB2      LEU  25  -2.797   2.530  -3.109
  194   2HB   LEU  25           HB3      LEU  25  -3.284   4.225  -3.116
  195    HG   LEU  25           HG       LEU  25  -3.067   4.524  -0.938
  196   1HD1  LEU  25          HD11      LEU  25  -3.558   1.597  -0.647
  197   2HD1  LEU  25          HD12      LEU  25  -3.011   2.636   0.682
  198   3HD1  LEU  25          HD13      LEU  25  -4.546   2.977  -0.109
  199   1HD2  LEU  25          HD21      LEU  25  -0.933   2.727  -2.023
  200   2HD2  LEU  25          HD22      LEU  25  -0.811   4.270  -1.176
  201   3HD2  LEU  25          HD23      LEU  25  -1.001   2.779  -0.278
  202    H    HIS  26           H        HIS  26  -7.270   3.450  -3.225
  203    HA   HIS  26           HA       HIS  26  -8.519   4.291  -4.900
  204   1HB   HIS  26           HB2      HIS  26  -5.986   5.321  -6.220
  205   2HB   HIS  26           HB3      HIS  26  -7.640   5.857  -6.482
  206    HD1  HIS  26           HD1      HIS  26  -8.673   7.502  -4.577
  207    HD2  HIS  26           HD2      HIS  26  -4.715   6.191  -4.037
  208    HE1  HIS  26           HE1      HIS  26  -7.651   8.998  -2.777
  209    H    TYR  27           H        TYR  27  -8.314   1.720  -5.053
  210    HA   TYR  27           HA       TYR  27  -8.649  -0.067  -6.368
  211   1HB   TYR  27           HB2      TYR  27  -8.796   1.891  -8.694
  212   2HB   TYR  27           HB3      TYR  27  -9.438   0.263  -8.626
  213    HD1  TYR  27           HD1      TYR  27  -9.909   3.744  -7.362
  214    HD2  TYR  27           HD2      TYR  27 -11.595  -0.200  -7.701
  215    HE1  TYR  27           HE1      TYR  27 -12.012   4.556  -6.364
  216    HE2  TYR  27           HE2      TYR  27 -13.706   0.612  -6.712
  217    HH   TYR  27           HH       TYR  27 -14.188   4.033  -5.794
  218    H    LYS  28           H        LYS  28  -5.817   1.076  -6.041
  219    HA   LYS  28           HA       LYS  28  -4.472  -0.382  -8.259
  220   1HB   LYS  28           HB2      LYS  28  -3.769   2.253  -6.998
  221   2HB   LYS  28           HB3      LYS  28  -2.668   1.330  -8.038
  222   1HG   LYS  28           HG2      LYS  28  -4.262   1.520  -9.898
  223   2HG   LYS  28           HG3      LYS  28  -5.473   2.198  -8.815
  224   1HD   LYS  28           HD2      LYS  28  -3.598   4.057  -8.400
  225   2HD   LYS  28           HD3      LYS  28  -3.025   3.481  -9.976
  226   1HE   LYS  28           HE2      LYS  28  -5.814   3.714 -10.359
  227   2HE   LYS  28           HE3      LYS  28  -5.488   5.015  -9.210
  228   1HZ   LYS  28           HZ1      LYS  28  -5.350   5.735 -11.471
  229   2HZ   LYS  28           HZ2      LYS  28  -3.840   5.824 -10.816
  230   3HZ   LYS  28           HZ3      LYS  28  -4.238   4.585 -11.844
  231    H    VAL  29           H        VAL  29  -3.008  -1.870  -7.597
  232    HA   VAL  29           HA       VAL  29  -2.670  -2.249  -4.714
  233    HB   VAL  29           HB       VAL  29  -1.879  -4.151  -6.926
  234   1HG1  VAL  29          HG11      VAL  29  -2.029  -5.834  -5.166
  235   2HG1  VAL  29          HG12      VAL  29  -0.988  -4.539  -4.559
  236   3HG1  VAL  29          HG13      VAL  29  -2.665  -4.647  -4.012
  237   1HG2  VAL  29          HG21      VAL  29  -4.238  -3.710  -7.236
  238   2HG2  VAL  29          HG22      VAL  29  -4.041  -5.279  -6.460
  239   3HG2  VAL  29          HG23      VAL  29  -4.540  -3.879  -5.490
  240    H    TYR  30           H        TYR  30  -0.757  -2.149  -3.686
  241    HA   TYR  30           HA       TYR  30   1.722  -1.454  -5.216
  242   1HB   TYR  30           HB2      TYR  30   0.609  -0.177  -2.698
  243   2HB   TYR  30           HB3      TYR  30   2.164   0.190  -3.423
  244    HD1  TYR  30           HD1      TYR  30  -1.511   0.491  -3.769
  245    HD2  TYR  30           HD2      TYR  30   2.271   1.470  -5.560
  246    HE1  TYR  30           HE1      TYR  30  -2.609   2.193  -5.194
  247    HE2  TYR  30           HE2      TYR  30   1.116   3.168  -7.002
  248    HH   TYR  30           HH       TYR  30  -0.760   4.580  -7.018
  249    H    ASP  31           H        ASP  31   2.993  -3.220  -4.908
  250    HA   ASP  31           HA       ASP  31   3.054  -4.705  -2.352
  251   1HB   ASP  31           HB2      ASP  31   3.336  -5.989  -4.427
  252   2HB   ASP  31           HB3      ASP  31   4.656  -4.904  -4.928
  253    H    LEU  32           H        LEU  32   4.011  -3.459  -0.741
  254    HA   LEU  32           HA       LEU  32   6.529  -2.045  -1.463
  255   1HB   LEU  32           HB2      LEU  32   4.731  -1.546   0.913
  256   2HB   LEU  32           HB3      LEU  32   6.210  -0.753   0.507
  257    HG   LEU  32           HG       LEU  32   4.570  -0.656  -1.871
  258   1HD1  LEU  32          HD11      LEU  32   2.677  -1.096  -0.254
  259   2HD1  LEU  32          HD12      LEU  32   3.112   0.416   0.573
  260   3HD1  LEU  32          HD13      LEU  32   2.567   0.442  -1.116
  261   1HD2  LEU  32          HD21      LEU  32   4.842   1.713  -1.635
  262   2HD2  LEU  32          HD22      LEU  32   5.248   1.543   0.092
  263   3HD2  LEU  32          HD23      LEU  32   6.344   0.907  -1.162
  264    H    THR  33           H        THR  33   5.611  -3.132   1.764
  265    HA   THR  33           HA       THR  33   6.543  -4.453   3.236
  266    HB   THR  33           HB       THR  33   6.255  -6.046   0.992
  267    HG1  THR  33           HG1      THR  33   6.887  -6.885   3.626
  268   1HG2  THR  33          HG21      THR  33   8.889  -6.782   2.327
  269   2HG2  THR  33          HG22      THR  33   7.940  -7.774   1.205
  270   3HG2  THR  33          HG23      THR  33   8.660  -6.279   0.627
  271    H    LYS  34           H        LYS  34   9.015  -4.076   0.661
  272    HA   LYS  34           HA       LYS  34  11.199  -4.057   2.590
  273   1HB   LYS  34           HB2      LYS  34  11.398  -4.883   0.269
  274   2HB   LYS  34           HB3      LYS  34  11.063  -3.257  -0.359
  275   1HG   LYS  34           HG2      LYS  34  13.108  -2.384   0.642
  276   2HG   LYS  34           HG3      LYS  34  13.344  -3.883   1.561
  277   1HD   LYS  34           HD2      LYS  34  13.557  -5.142  -0.588
  278   2HD   LYS  34           HD3      LYS  34  13.428  -3.609  -1.480
  279   1HE   LYS  34           HE2      LYS  34  15.475  -2.762  -0.425
  280   2HE   LYS  34           HE3      LYS  34  15.541  -4.152   0.671
  281   1HZ   LYS  34           HZ1      LYS  34  17.065  -4.427  -1.114
  282   2HZ   LYS  34           HZ2      LYS  34  15.891  -5.572  -1.228
  283   3HZ   LYS  34           HZ3      LYS  34  15.881  -4.277  -2.248
  284    H    PHE  35           H        PHE  35   8.798  -1.863   1.419
  285    HA   PHE  35           HA       PHE  35  10.456   0.518   1.952
  286   1HB   PHE  35           HB2      PHE  35   8.795   0.074  -0.108
  287   2HB   PHE  35           HB3      PHE  35   7.633   0.607   1.054
  288    HD1  PHE  35           HD1      PHE  35   7.020   2.889   0.858
  289    HD2  PHE  35           HD2      PHE  35  11.107   1.740   0.050
  290    HE1  PHE  35           HE1      PHE  35   7.589   5.241   0.346
  291    HE2  PHE  35           HE2      PHE  35  11.665   4.093  -0.433
  292    HZ   PHE  35           HZ       PHE  35   9.918   5.854  -0.277
  293    H    LEU  36           H        LEU  36   8.763  -1.588   3.886
  294    HA   LEU  36           HA       LEU  36   6.845   0.015   5.190
  295   1HB   LEU  36           HB2      LEU  36   8.614  -2.277   6.132
  296   2HB   LEU  36           HB3      LEU  36   7.319  -1.608   7.121
  297    HG   LEU  36           HG       LEU  36   6.854  -2.658   4.327
  298   1HD1  LEU  36          HD11      LEU  36   5.969  -4.708   5.486
  299   2HD1  LEU  36          HD12      LEU  36   7.666  -4.459   5.931
  300   3HD1  LEU  36          HD13      LEU  36   6.377  -3.993   7.057
  301   1HD2  LEU  36          HD21      LEU  36   5.010  -1.412   4.697
  302   2HD2  LEU  36          HD22      LEU  36   4.486  -2.872   5.555
  303   3HD2  LEU  36          HD23      LEU  36   5.135  -1.511   6.476
  304    H    GLU  37           H        GLU  37  10.173  -0.670   6.363
  305    HA   GLU  37           HA       GLU  37  10.140   1.429   8.322
  306   1HB   GLU  37           HB2      GLU  37  12.105  -0.543   7.244
  307   2HB   GLU  37           HB3      GLU  37  12.813   0.962   7.832
  308   1HG   GLU  37           HG2      GLU  37  11.801   0.716   9.997
  309   2HG   GLU  37           HG3      GLU  37  10.847  -0.685   9.473
  310    H    GLU  38           H        GLU  38  11.187   1.324   4.920
  311    HA   GLU  38           HA       GLU  38  12.611   3.786   4.899
  312   1HB   GLU  38           HB2      GLU  38  11.079   2.398   2.700
  313   2HB   GLU  38           HB3      GLU  38  12.260   3.653   2.447
  314   1HG   GLU  38           HG2      GLU  38  13.521   1.607   4.076
  315   2HG   GLU  38           HG3      GLU  38  12.733   0.823   2.703
  316    H    HIS  39           HN       HIS  39   9.226   2.955   4.247
  317    HA   HIS  39           HA       HIS  39   8.190   5.331   3.264
  318   1HB   HIS  39           HB2      HIS  39   6.857   3.377   3.266
  319   2HB   HIS  39           HB3      HIS  39   6.969   3.204   5.024
  320    HD1  HIS  39           HND      HIS  39   4.791   3.965   6.194
  321    HD2  HIS  39           HD       HIS  39   5.615   5.882   2.530
  322    HE1  HIS  39           HE       HIS  39   2.799   5.413   5.679
  323    HA   PRO  40           HA       PRO  40   8.916   7.610   7.149
  324   1HB   PRO  40           HB2      PRO  40   8.778  10.175   6.144
  325   2HB   PRO  40           HB3      PRO  40  10.186   9.100   6.016
  326   1HG   PRO  40           HG2      PRO  40   8.246   9.810   3.854
  327   2HG   PRO  40           HG3      PRO  40   9.965   9.384   3.753
  328   1HD   PRO  40           HD2      PRO  40   7.706   7.688   3.313
  329   2HD   PRO  40           HD3      PRO  40   9.422   7.208   3.388
  330    H    GLY  41           H        GLY  41   6.673   6.368   7.276
  331   1HA   GLY  41           HA1      GLY  41   4.750   8.289   8.279
  332   2HA   GLY  41           HA2      GLY  41   4.262   7.534   6.734
  333    H    GLY  42           H        GLY  42   6.086   6.160   9.443
  334   1HA   GLY  42           HA1      GLY  42   5.584   4.508  10.947
  335   2HA   GLY  42           HA2      GLY  42   3.874   4.660  10.543
  336    H    GLU  43           H        GLU  43   6.461   2.562  10.454
  337    HA   GLU  43           HA       GLU  43   5.785   1.069   8.066
  338   1HB   GLU  43           HB2      GLU  43   7.254  -0.600   8.978
  339   2HB   GLU  43           HB3      GLU  43   7.968   0.998   9.130
  340   1HG   GLU  43           HG2      GLU  43   8.539   0.193  11.141
  341   2HG   GLU  43           HG3      GLU  43   6.966   0.780  11.650
  342    H    ALA  44           H        ALA  44   5.020   0.850  11.529
  343    HA   ALA  44           HA       ALA  44   3.393  -1.370  11.514
  344   1HB   ALA  44           HB1      ALA  44   3.512   1.068  13.298
  345   2HB   ALA  44           HB2      ALA  44   2.248  -0.156  13.544
  346   3HB   ALA  44           HB3      ALA  44   3.957  -0.622  13.633
  347    H    VAL  45           H        VAL  45   2.260   2.056  11.078
  348    HA   VAL  45           HA       VAL  45  -0.444   1.264  10.700
  349    HB   VAL  45           HB       VAL  45   0.322   3.584  11.198
  350   1HG1  VAL  45          HG11      VAL  45   0.796   3.823   8.197
  351   2HG1  VAL  45          HG12      VAL  45   0.953   5.073   9.445
  352   3HG1  VAL  45          HG13      VAL  45   2.069   3.705   9.433
  353   1HG2  VAL  45          HG21      VAL  45  -1.955   3.421  10.758
  354   2HG2  VAL  45          HG22      VAL  45  -1.436   4.617   9.558
  355   3HG2  VAL  45          HG23      VAL  45  -1.725   2.938   9.073
  356    H    LEU  46           H        LEU  46   2.298   1.670   8.242
  357    HA   LEU  46           HA       LEU  46   0.714   0.975   6.041
  358   1HB   LEU  46           HB2      LEU  46   3.445   1.382   6.599
  359   2HB   LEU  46           HB3      LEU  46   3.360  -0.259   5.978
  360    HG   LEU  46           HG       LEU  46   2.202   2.210   4.617
  361   1HD1  LEU  46          HD11      LEU  46   4.089   2.245   3.190
  362   2HD1  LEU  46          HD12      LEU  46   4.786   1.999   4.806
  363   3HD1  LEU  46          HD13      LEU  46   4.637   0.637   3.694
  364   1HD2  LEU  46          HD21      LEU  46   2.619  -0.642   3.616
  365   2HD2  LEU  46          HD22      LEU  46   1.051   0.101   3.978
  366   3HD2  LEU  46          HD23      LEU  46   2.044   0.722   2.642
  367    H    ARG  47           H        ARG  47   2.240  -1.165   8.465
  368    HA   ARG  47           HA       ARG  47   1.541  -3.591   7.072
  369   1HB   ARG  47           HB2      ARG  47   3.329  -2.912   9.063
  370   2HB   ARG  47           HB3      ARG  47   2.130  -3.829   9.972
  371   1HG   ARG  47           HG2      ARG  47   3.412  -4.772   7.364
  372   2HG   ARG  47           HG3      ARG  47   4.133  -5.088   8.927
  373   1HD   ARG  47           HD2      ARG  47   1.290  -5.988   8.265
  374   2HD   ARG  47           HD3      ARG  47   2.717  -6.937   7.904
  375    HE   ARG  47           HE       ARG  47   3.158  -6.344  10.494
  376   1HH1  ARG  47          HH11      ARG  47   1.121  -8.559  12.280
  377   2HH1  ARG  47          HH12      ARG  47   2.507  -7.516  12.337
  378   1HH2  ARG  47          HH21      ARG  47  -0.159  -8.714  10.314
  379   2HH2  ARG  47          HH22      ARG  47   0.408  -7.983   8.868
  380    H    ALA  48           H        ALA  48  -0.010  -1.620   9.521
  381    HA   ALA  48           HA       ALA  48  -1.919  -3.541  10.456
  382   1HB   ALA  48           HB1      ALA  48  -1.233  -1.467  11.652
  383   2HB   ALA  48           HB2      ALA  48  -2.031  -0.495  10.402
  384   3HB   ALA  48           HB3      ALA  48  -3.000  -1.569  11.440
  385    H    GLN  49           H        GLN  49  -2.024  -0.913   8.008
  386    HA   GLN  49           HA       GLN  49  -4.682  -1.755   7.114
  387   1HB   GLN  49           HB2      GLN  49  -2.782   0.483   6.608
  388   2HB   GLN  49           HB3      GLN  49  -3.692  -0.022   5.206
  389   1HG   GLN  49           HG2      GLN  49  -5.026   0.646   7.854
  390   2HG   GLN  49           HG3      GLN  49  -4.749   1.795   6.532
  391   1HE2  GLN  49          HE21      GLN  49  -7.199   2.074   6.392
  392   2HE2  GLN  49          HE22      GLN  49  -7.971   0.861   5.363
  393    H    ALA  50           H        ALA  50  -1.393  -2.628   6.332
  394    HA   ALA  50           HA       ALA  50  -1.560  -3.420   3.767
  395   1HB   ALA  50           HB1      ALA  50   0.012  -5.222   4.248
  396   2HB   ALA  50           HB2      ALA  50   0.420  -3.784   5.199
  397   3HB   ALA  50           HB3      ALA  50  -0.383  -5.170   5.968
  398    H    GLY  51           H        GLY  51  -2.258  -5.185   2.591
  399   1HA   GLY  51           HA1      GLY  51  -3.682  -6.780   1.881
  400   2HA   GLY  51           HA2      GLY  51  -3.688  -7.465   3.512
  401    H    GLY  52           H        GLY  52  -4.817  -4.375   1.963
  402   1HA   GLY  52           HA1      GLY  52  -7.546  -4.961   2.025
  403   2HA   GLY  52           HA2      GLY  52  -7.154  -4.169   3.569
  404    H    ASP  53           H        ASP  53  -8.795  -2.696   2.407
  405    HA   ASP  53           HA       ASP  53  -7.667  -0.800   0.486
  406   1HB   ASP  53           HB2      ASP  53 -10.335  -1.248   1.790
  407   2HB   ASP  53           HB3      ASP  53  -9.906   0.415   1.382
  408    H    ALA  54           H        ALA  54  -6.234   0.616   1.083
  409    HA   ALA  54           HA       ALA  54  -6.552   1.955   3.752
  410   1HB   ALA  54           HB1      ALA  54  -3.894   1.862   2.395
  411   2HB   ALA  54           HB2      ALA  54  -4.287   2.038   4.097
  412   3HB   ALA  54           HB3      ALA  54  -4.421   0.440   3.281
  413    H    THR  55           H        THR  55  -7.613   2.397   0.903
  414    HA   THR  55           HA       THR  55  -6.235   4.606  -0.172
  415    HB   THR  55           HB       THR  55  -9.215   3.974  -0.385
  416    HG1  THR  55           HG1      THR  55  -7.625   2.245  -1.038
  417   1HG2  THR  55          HG21      THR  55  -8.897   5.133  -2.598
  418   2HG2  THR  55          HG22      THR  55  -8.536   6.237  -1.255
  419   3HG2  THR  55          HG23      THR  55  -7.206   5.454  -2.137
  420    H    ALA  56           H        ALA  56  -9.027   4.525   2.081
  421    HA   ALA  56           HA       ALA  56  -9.296   7.312   2.436
  422   1HB   ALA  56           HB1      ALA  56 -10.566   6.778   4.408
  423   2HB   ALA  56           HB2      ALA  56 -10.951   5.587   3.152
  424   3HB   ALA  56           HB3      ALA  56  -9.869   5.147   4.494
  425    H    ASN  57           H        ASN  57  -7.112   4.973   4.000
  426    HA   ASN  57           HA       ASN  57  -6.316   6.762   6.126
  427   1HB   ASN  57           HB2      ASN  57  -6.288   4.162   5.986
  428   2HB   ASN  57           HB3      ASN  57  -4.737   4.345   5.163
  429   1HD2  ASN  57          HD21      ASN  57  -5.733   3.348   7.990
  430   2HD2  ASN  57          HD22      ASN  57  -4.620   4.163   9.065
  431    H    PHE  58           H        PHE  58  -4.864   5.614   3.104
  432    HA   PHE  58           HA       PHE  58  -2.479   7.105   3.044
  433   1HB   PHE  58           HB2      PHE  58  -2.827   5.307   1.526
  434   2HB   PHE  58           HB3      PHE  58  -4.323   5.990   0.917
  435    HD1  PHE  58           HD1      PHE  58  -4.381   7.664  -0.815
  436    HD2  PHE  58           HD2      PHE  58  -0.636   6.209   0.734
  437    HE1  PHE  58           HE1      PHE  58  -3.214   8.554  -2.798
  438    HE2  PHE  58           HE2      PHE  58   0.539   7.099  -1.255
  439    HZ   PHE  58           HZ       PHE  58  -0.740   8.287  -3.026
  440    H    GLU  59           H        GLU  59  -5.736   7.923   1.689
  441    HA   GLU  59           HA       GLU  59  -4.812  10.457   0.730
  442   1HB   GLU  59           HB2      GLU  59  -6.960  10.801  -0.117
  443   2HB   GLU  59           HB3      GLU  59  -6.563   9.095  -0.331
  444   1HG   GLU  59           HG2      GLU  59  -8.727   8.893   0.427
  445   2HG   GLU  59           HG3      GLU  59  -7.848   8.832   1.957
  446    H    ALA  60           H        ALA  60  -6.650   9.451   3.644
  447    HA   ALA  60           HA       ALA  60  -7.281  11.876   4.766
  448   1HB   ALA  60           HB1      ALA  60  -6.838  10.731   7.003
  449   2HB   ALA  60           HB2      ALA  60  -7.916   9.858   5.903
  450   3HB   ALA  60           HB3      ALA  60  -6.230   9.336   6.094
  451    H    VAL  61           H        VAL  61  -4.134  10.162   5.088
  452    HA   VAL  61           HA       VAL  61  -2.836  12.390   6.417
  453    HB   VAL  61           HB       VAL  61  -1.731  10.026   4.850
  454   1HG1  VAL  61          HG11      VAL  61   0.371  10.597   6.017
  455   2HG1  VAL  61          HG12      VAL  61  -0.068  11.855   4.891
  456   3HG1  VAL  61          HG13      VAL  61  -0.354  12.096   6.626
  457   1HG2  VAL  61          HG21      VAL  61  -1.558  10.353   7.847
  458   2HG2  VAL  61          HG22      VAL  61  -3.079   9.768   7.162
  459   3HG2  VAL  61          HG23      VAL  61  -1.594   8.879   6.846
  460    H    GLY  62           H        GLY  62  -2.865  11.184   3.029
  461   1HA   GLY  62           HA1      GLY  62  -2.893  12.500   1.111
  462   2HA   GLY  62           HA2      GLY  62  -2.398  13.942   2.013
  463    H    HIS  63           HN       HIS  63  -1.214  13.101  -0.403
  464    HA   HIS  63           HA       HIS  63   1.554  12.310   0.281
  465   1HB   HIS  63           HB2      HIS  63  -0.495  10.630  -1.222
  466   2HB   HIS  63           HB3      HIS  63   1.232  10.432  -1.460
  467    HD1  HIS  63           HND      HIS  63  -1.428   9.699   1.295
  468    HD2  HIS  63           HD       HIS  63   2.661   9.291   0.412
  469    HE1  HIS  63           HE       HIS  63  -0.466   8.117   3.021
  470    H    SER  64           H        SER  64   2.527  14.025  -0.681
  471    HA   SER  64           HA       SER  64   1.615  15.610  -2.743
  472   1HB   SER  64           HB2      SER  64   4.524  15.053  -2.003
  473   2HB   SER  64           HB3      SER  64   3.853  16.558  -2.664
  474    HG   SER  64           HG       SER  64   4.070  16.694  -0.399
  475    H    THR  65           H        THR  65   2.951  16.035  -4.878
  476    HA   THR  65           HA       THR  65   2.463  14.116  -6.705
  477    HB   THR  65           HB       THR  65   4.821  16.011  -6.901
  478    HG1  THR  65           HG1      THR  65   3.166  17.536  -7.498
  479   1HG2  THR  65          HG21      THR  65   2.844  14.870  -8.917
  480   2HG2  THR  65          HG22      THR  65   3.927  16.233  -9.269
  481   3HG2  THR  65          HG23      THR  65   4.603  14.648  -8.863
  482    H    ASP  66           H        ASP  66   5.648  14.682  -5.140
  483    HA   ASP  66           HA       ASP  66   7.160  12.717  -6.393
  484   1HB   ASP  66           HB2      ASP  66   7.662  14.538  -4.466
  485   2HB   ASP  66           HB3      ASP  66   7.420  13.171  -3.386
  486    H    ALA  67           H        ALA  67   5.052  12.457  -3.560
  487    HA   ALA  67           HA       ALA  67   5.550   9.643  -3.074
  488   1HB   ALA  67           HB1      ALA  67   3.643   9.745  -1.579
  489   2HB   ALA  67           HB2      ALA  67   4.727  11.126  -1.297
  490   3HB   ALA  67           HB3      ALA  67   3.210  11.355  -2.180
  491    H    ARG  68           H        ARG  68   3.064  11.446  -4.845
  492    HA   ARG  68           HA       ARG  68   1.378   9.271  -5.565
  493   1HB   ARG  68           HB2      ARG  68   1.548  12.108  -5.969
  494   2HB   ARG  68           HB3      ARG  68   1.351  11.399  -7.559
  495   1HG   ARG  68           HG2      ARG  68  -0.770  10.577  -7.051
  496   2HG   ARG  68           HG3      ARG  68  -0.466  10.500  -5.304
  497   1HD   ARG  68           HD2      ARG  68  -0.561  12.930  -5.090
  498   2HD   ARG  68           HD3      ARG  68  -0.630  13.120  -6.836
  499    HE   ARG  68           HE       ARG  68  -2.856  12.748  -6.852
  500   1HH1  ARG  68          HH11      ARG  68  -5.123  11.601  -4.426
  501   2HH1  ARG  68          HH12      ARG  68  -4.940  12.233  -6.027
  502   1HH2  ARG  68          HH21      ARG  68  -3.196  11.268  -3.070
  503   2HH2  ARG  68          HH22      ARG  68  -1.642  11.745  -3.692
  504    H    GLU  69           H        GLU  69   4.332  10.575  -7.024
  505    HA   GLU  69           HA       GLU  69   4.204   8.889  -9.421
  506   1HB   GLU  69           HB2      GLU  69   5.940  11.015  -8.288
  507   2HB   GLU  69           HB3      GLU  69   6.708   9.919  -9.417
  508   1HG   GLU  69           HG2      GLU  69   4.026  11.172 -10.126
  509   2HG   GLU  69           HG3      GLU  69   5.525  12.088 -10.308
  510    H    LEU  70           H        LEU  70   5.959   8.972  -6.322
  511    HA   LEU  70           HA       LEU  70   7.594   6.759  -6.746
  512   1HB   LEU  70           HB2      LEU  70   7.815   8.405  -4.931
  513   2HB   LEU  70           HB3      LEU  70   6.341   7.766  -4.205
  514    HG   LEU  70           HG       LEU  70   7.409   6.224  -3.057
  515   1HD1  LEU  70          HD11      LEU  70   8.907   5.520  -5.569
  516   2HD1  LEU  70          HD12      LEU  70   9.202   4.735  -4.007
  517   3HD1  LEU  70          HD13      LEU  70   7.581   4.686  -4.705
  518   1HD2  LEU  70          HD21      LEU  70   9.925   7.588  -4.056
  519   2HD2  LEU  70          HD22      LEU  70   8.927   8.094  -2.669
  520   3HD2  LEU  70          HD23      LEU  70   9.791   6.546  -2.626
  521    H    SER  71           H        SER  71   4.402   6.902  -5.118
  522    HA   SER  71           HA       SER  71   3.841   4.205  -4.786
  523   1HB   SER  71           HB2      SER  71   1.487   4.759  -4.956
  524   2HB   SER  71           HB3      SER  71   2.391   5.936  -3.995
  525    HG   SER  71           HG       SER  71   1.805   6.482  -6.705
  526    H    LYS  72           H        LYS  72   3.443   6.071  -7.890
  527    HA   LYS  72           HA       LYS  72   2.453   3.861  -9.380
  528   1HB   LYS  72           HB2      LYS  72   3.976   6.360 -10.200
  529   2HB   LYS  72           HB3      LYS  72   3.484   5.159 -11.374
  530   1HG   LYS  72           HG2      LYS  72   1.518   6.384  -9.406
  531   2HG   LYS  72           HG3      LYS  72   1.941   7.197 -10.899
  532   1HD   LYS  72           HD2      LYS  72   1.301   4.354 -11.423
  533   2HD   LYS  72           HD3      LYS  72   0.015   5.118 -10.499
  534   1HE   LYS  72           HE2      LYS  72  -0.519   5.402 -12.825
  535   2HE   LYS  72           HE3      LYS  72  -0.058   6.987 -12.189
  536   1HZ   LYS  72           HZ1      LYS  72   2.148   6.621 -13.159
  537   2HZ   LYS  72           HZ2      LYS  72   1.648   5.184 -13.788
  538   3HZ   LYS  72           HZ3      LYS  72   0.965   6.587 -14.299
  539    H    THR  73           H        THR  73   5.808   4.828  -8.606
  540    HA   THR  73           HA       THR  73   7.082   2.817 -10.237
  541    HB   THR  73           HB       THR  73   8.004   4.554  -7.928
  542    HG1  THR  73           HG1      THR  73   7.740   5.387 -10.042
  543   1HG2  THR  73          HG21      THR  73  10.287   3.783  -8.298
  544   2HG2  THR  73          HG22      THR  73   9.275   2.528  -7.578
  545   3HG2  THR  73          HG23      THR  73   9.687   2.451  -9.311
  546    H    PHE  74           H        PHE  74   5.425   2.641  -7.202
  547    HA   PHE  74           HA       PHE  74   6.432  -0.151  -6.747
  548   1HB   PHE  74           HB2      PHE  74   4.899   1.785  -4.980
  549   2HB   PHE  74           HB3      PHE  74   5.052   0.075  -4.603
  550    HD1  PHE  74           HD1      PHE  74   6.330   3.022  -3.546
  551    HD2  PHE  74           HD2      PHE  74   7.599  -0.871  -4.899
  552    HE1  PHE  74           HE1      PHE  74   8.443   3.252  -2.268
  553    HE2  PHE  74           HE2      PHE  74   9.737  -0.596  -3.690
  554    HZ   PHE  74           HZ       PHE  74  10.155   1.462  -2.361
  555    H    ILE  75           H        ILE  75   4.072   1.267  -8.605
  556    HA   ILE  75           HA       ILE  75   1.787  -0.238  -7.754
  557    HB   ILE  75           HB       ILE  75   2.098   1.757  -9.456
  558   1HG1  ILE  75          HG12      ILE  75  -0.086  -0.299  -9.260
  559   2HG1  ILE  75          HG13      ILE  75   0.119   1.268  -8.440
  560   1HG2  ILE  75          HG21      ILE  75   3.223   0.344 -11.204
  561   2HG2  ILE  75          HG22      ILE  75   1.702  -0.576 -11.355
  562   3HG2  ILE  75          HG23      ILE  75   1.769   1.155 -11.764
  563   1HD1  ILE  75          HD11      ILE  75  -1.533   1.554 -10.120
  564   2HD1  ILE  75          HD12      ILE  75  -0.052   2.410 -10.623
  565   3HD1  ILE  75          HD13      ILE  75  -0.492   0.839 -11.363
  566    H    ILE  76           H        ILE  76   1.317  -2.394  -7.970
  567    HA   ILE  76           HA       ILE  76   3.054  -4.041  -9.806
  568    HB   ILE  76           HB       ILE  76   2.110  -5.947  -8.456
  569   1HG1  ILE  76          HG12      ILE  76   1.490  -3.798  -6.381
  570   2HG1  ILE  76          HG13      ILE  76   0.267  -4.488  -7.431
  571   1HG2  ILE  76          HG21      ILE  76   3.877  -3.963  -6.966
  572   2HG2  ILE  76          HG22      ILE  76   3.869  -5.744  -6.822
  573   3HG2  ILE  76          HG23      ILE  76   4.428  -4.987  -8.304
  574   1HD1  ILE  76          HD11      ILE  76   1.898  -6.552  -6.085
  575   2HD1  ILE  76          HD12      ILE  76   1.035  -5.476  -4.972
  576   3HD1  ILE  76          HD13      ILE  76   0.143  -6.384  -6.214
  577    H    GLY  77           H        GLY  77   0.001  -2.599  -9.598
  578   1HA   GLY  77           HA1      GLY  77  -0.964  -3.026 -11.999
  579   2HA   GLY  77           HA2      GLY  77  -1.380  -4.589 -11.242
  580    H    GLU  78           H        GLU  78  -3.560  -4.210 -11.191
  581    HA   GLU  78           HA       GLU  78  -4.555  -2.020  -9.472
  582   1HB   GLU  78           HB2      GLU  78  -5.018  -2.560 -12.362
  583   2HB   GLU  78           HB3      GLU  78  -6.438  -2.082 -11.433
  584   1HG   GLU  78           HG2      GLU  78  -5.693   0.043 -11.092
  585   2HG   GLU  78           HG3      GLU  78  -3.987  -0.443 -10.963
  586    H    LEU  79           H        LEU  79  -6.823  -2.236  -9.002
  587    HA   LEU  79           HA       LEU  79  -7.261  -4.675  -7.560
  588   1HB   LEU  79           HB2      LEU  79  -8.135  -2.503  -6.839
  589   2HB   LEU  79           HB3      LEU  79  -8.996  -2.321  -8.369
  590    HG   LEU  79           HG       LEU  79 -10.232  -4.571  -7.607
  591   1HD1  LEU  79          HD11      LEU  79  -8.616  -4.720  -5.588
  592   2HD1  LEU  79          HD12      LEU  79  -9.578  -3.369  -4.926
  593   3HD1  LEU  79          HD13      LEU  79 -10.340  -4.930  -5.270
  594   1HD2  LEU  79          HD21      LEU  79 -11.193  -2.352  -8.025
  595   2HD2  LEU  79          HD22      LEU  79 -11.972  -3.209  -6.709
  596   3HD2  LEU  79          HD23      LEU  79 -10.832  -1.900  -6.331
  597    H    HIS  80           H        HIS  80  -8.335  -6.519  -8.196
  598    HA   HIS  80           HA       HIS  80  -8.891  -7.156 -10.858
  599   1HB   HIS  80           HB2      HIS  80  -8.668  -8.601  -8.729
  600   2HB   HIS  80           HB3      HIS  80 -10.417  -8.422  -8.579
  601    HD1  HIS  80           HD1      HIS  80 -11.731 -10.130 -10.173
  602    HD2  HIS  80           HD2      HIS  80  -7.597  -9.847 -10.850
  603    HE1  HIS  80           HE1      HIS  80 -11.163 -11.933 -11.844
  604    HA   PRO  81           HA       PRO  81 -12.760  -5.236 -11.706
  605   1HB   PRO  81           HB2      PRO  81 -13.592  -6.618 -13.917
  606   2HB   PRO  81           HB3      PRO  81 -12.300  -5.385 -13.909
  607   1HG   PRO  81           HG2      PRO  81 -11.994  -8.390 -13.789
  608   2HG   PRO  81           HG3      PRO  81 -11.062  -7.221 -14.776
  609   1HD   PRO  81           HD2      PRO  81 -10.158  -8.257 -12.452
  610   2HD   PRO  81           HD3      PRO  81  -9.751  -6.593 -12.952
  611    H    ASP  82           H        ASP  82 -12.479  -8.390 -10.499
  612    HA   ASP  82           HA       ASP  82 -15.336  -9.038 -10.428
  613   1HB   ASP  82           HB2      ASP  82 -13.533 -10.774 -10.473
  614   2HB   ASP  82           HB3      ASP  82 -13.041 -10.235  -8.825
  615    H    ASP  83           H        ASP  83 -12.991  -7.289  -8.465
  616    HA   ASP  83           HA       ASP  83 -14.533  -7.357  -5.994
  617   1HB   ASP  83           HB2      ASP  83 -12.115  -7.152  -5.915
  618   2HB   ASP  83           HB3      ASP  83 -12.188  -5.662  -6.890
  619    H    ARG  84           H        ARG  84 -13.789  -4.901  -8.433
  620    HA   ARG  84           HA       ARG  84 -15.279  -2.792  -7.269
  621   1HB   ARG  84           HB2      ARG  84 -14.839  -1.588  -9.317
  622   2HB   ARG  84           HB3      ARG  84 -13.408  -2.534  -8.874
  623   1HG   ARG  84           HG2      ARG  84 -14.290  -4.344 -10.481
  624   2HG   ARG  84           HG3      ARG  84 -15.510  -3.195 -10.995
  625   1HD   ARG  84           HD2      ARG  84 -13.682  -3.154 -12.572
  626   2HD   ARG  84           HD3      ARG  84 -13.846  -1.602 -11.718
  627    HE   ARG  84           HE       ARG  84 -11.925  -3.373 -10.430
  628   1HH1  ARG  84          HH11      ARG  84  -9.157  -1.491 -11.631
  629   2HH1  ARG  84          HH12      ARG  84  -9.618  -2.876 -10.698
  630   1HH2  ARG  84          HH21      ARG  84 -10.689  -0.659 -13.227
  631   2HH2  ARG  84          HH22      ARG  84 -12.344  -1.188 -13.161
  632    HHA  HEM 201           HGM      HEM 201   4.324  10.901   5.091
  633    HHB  HEM 201           HDM      HEM 201   5.670   7.814  -0.433
  634    HHC  HEM 201           HAM      HEM 201   0.969   3.609   0.800
  635    HHD  HEM 201           HBM      HEM 201  -0.148   6.478   6.492
  636   1HMA  HEM 201          HM81      HEM 201   6.624   9.788  -0.507
  637   2HMA  HEM 201          HM82      HEM 201   6.854  11.288   0.357
  638   3HMA  HEM 201          HM83      HEM 201   7.827   9.871   0.793
  639   1HAA  HEM 201          HAA1      HEM 201   6.680  12.189   2.296
  640   2HAA  HEM 201          HAA2      HEM 201   5.115  12.541   2.977
  641   1HBA  HEM 201          HBA1      HEM 201   6.732  10.989   4.853
  642   2HBA  HEM 201          HBA2      HEM 201   5.882  12.508   5.098
  643   1HMB  HEM 201          HM11      HEM 201   4.539   4.952  -2.762
  644   2HMB  HEM 201          HM12      HEM 201   5.011   6.631  -2.480
  645   3HMB  HEM 201          HM13      HEM 201   5.901   5.295  -1.695
  646    HAB  HEM 201          HT2A      HEM 201   2.817   2.679  -1.159
  647   1HBB  HEM 201          HV2C      HEM 201   1.076   4.748  -2.486
  648   2HBB  HEM 201          HV2T      HEM 201   1.271   2.928  -2.877
  649   1HMC  HEM 201          HM31      HEM 201  -1.211   2.188   3.506
  650   2HMC  HEM 201          HM32      HEM 201  -1.976   3.301   2.369
  651   3HMC  HEM 201          HM33      HEM 201  -0.502   2.404   1.909
  652    HAC  HEM 201          HT4A      HEM 201  -2.248   5.171   5.713
  653   1HBC  HEM 201          HV4C      HEM 201  -0.922   2.412   5.744
  654   2HBC  HEM 201          HV4T      HEM 201  -2.246   3.051   6.882
  655   1HMD  HEM 201          HM51      HEM 201   1.146   7.171   8.518
  656   2HMD  HEM 201          HM52      HEM 201   1.556   8.791   9.075
  657   3HMD  HEM 201          HM53      HEM 201  -0.022   8.487   8.342
  658   1HAD  HEM 201          HAD1      HEM 201   3.504  10.015   8.450
  659   2HAD  HEM 201          HAD2      HEM 201   3.807  11.178   7.191
  660   1HBD  HEM 201          HBD1      HEM 201   1.905  12.349   7.620
  661   2HBD  HEM 201          HBD2      HEM 201   1.039  10.947   8.260
  Start of MODEL   15
    1   1H    ALA   3           H1       ALA   3  -6.050  -9.101 -19.054
    2   2H    ALA   3           H2       ALA   3  -7.044  -7.893 -19.487
    3   3H    ALA   3           H3       ALA   3  -6.432  -8.907 -20.663
    4    HA   ALA   3           HA       ALA   3  -4.247  -8.049 -20.304
    5   1HB   ALA   3           HB1      ALA   3  -6.270  -5.749 -20.343
    6   2HB   ALA   3           HB2      ALA   3  -4.578  -5.658 -20.866
    7   3HB   ALA   3           HB3      ALA   3  -5.733  -6.654 -21.775
    8    H    VAL   4           H        VAL   4  -2.790  -6.982 -18.822
    9    HA   VAL   4           HA       VAL   4  -1.974  -6.496 -16.800
   10    HB   VAL   4           HB       VAL   4  -4.744  -5.380 -16.191
   11   1HG1  VAL   4          HG11      VAL   4  -2.181  -5.051 -14.607
   12   2HG1  VAL   4          HG12      VAL   4  -3.671  -4.109 -14.398
   13   3HG1  VAL   4          HG13      VAL   4  -3.686  -5.838 -14.063
   14   1HG2  VAL   4          HG21      VAL   4  -3.717  -3.223 -16.643
   15   2HG2  VAL   4          HG22      VAL   4  -2.148  -3.992 -16.957
   16   3HG2  VAL   4          HG23      VAL   4  -3.514  -4.258 -18.060
   17    H    LYS   5           H        LYS   5  -1.712  -7.459 -14.707
   18    HA   LYS   5           HA       LYS   5  -3.414  -9.881 -14.248
   19   1HB   LYS   5           HB2      LYS   5  -1.121 -10.444 -14.738
   20   2HB   LYS   5           HB3      LYS   5  -0.529  -9.387 -13.439
   21   1HG   LYS   5           HG2      LYS   5  -1.451 -10.753 -11.743
   22   2HG   LYS   5           HG3      LYS   5  -2.580 -11.553 -12.842
   23   1HD   LYS   5           HD2      LYS   5  -0.864 -12.795 -13.923
   24   2HD   LYS   5           HD3      LYS   5   0.432 -11.894 -13.108
   25   1HE   LYS   5           HE2      LYS   5  -0.071 -12.862 -10.972
   26   2HE   LYS   5           HE3      LYS   5  -1.651 -13.451 -11.511
   27   1HZ   LYS   5           HZ1      LYS   5   0.952 -14.501 -12.403
   28   2HZ   LYS   5           HZ2      LYS   5  -0.100 -15.226 -11.367
   29   3HZ   LYS   5           HZ3      LYS   5  -0.521 -15.013 -12.939
   30    H    TYR   6           H        TYR   6  -4.995  -8.553 -13.354
   31    HA   TYR   6           HA       TYR   6  -4.613  -6.810 -11.126
   32   1HB   TYR   6           HB2      TYR   6  -7.081  -8.446 -11.746
   33   2HB   TYR   6           HB3      TYR   6  -6.937  -6.879 -10.924
   34    HD1  TYR   6           HD1      TYR   6  -6.334  -4.890 -12.213
   35    HD2  TYR   6           HD2      TYR   6  -7.390  -8.562 -14.135
   36    HE1  TYR   6           HE1      TYR   6  -6.755  -3.635 -14.333
   37    HE2  TYR   6           HE2      TYR   6  -7.907  -7.327 -16.223
   38    HH   TYR   6           HH       TYR   6  -7.312  -3.814 -16.535
   39    H    TYR   7           H        TYR   7  -5.434  -7.219  -8.898
   40    HA   TYR   7           HA       TYR   7  -5.206 -10.076  -8.035
   41   1HB   TYR   7           HB2      TYR   7  -4.136  -7.692  -6.513
   42   2HB   TYR   7           HB3      TYR   7  -3.981  -9.396  -6.101
   43    HD1  TYR   7           HD1      TYR   7  -2.281  -6.635  -7.502
   44    HD2  TYR   7           HD2      TYR   7  -2.809 -10.882  -8.036
   45    HE1  TYR   7           HE1      TYR   7  -0.231  -6.718  -8.881
   46    HE2  TYR   7           HE2      TYR   7  -0.743 -10.960  -9.390
   47    HH   TYR   7           HH       TYR   7   0.806  -9.667 -10.571
   48    H    THR   8           H        THR   8  -6.795 -10.755  -6.642
   49    HA   THR   8           HA       THR   8  -9.143  -9.067  -6.247
   50    HB   THR   8           HB       THR   8  -9.839 -11.224  -5.000
   51    HG1  THR   8           HG1      THR   8  -7.549 -11.760  -4.687
   52   1HG2  THR   8          HG21      THR   8 -10.054 -12.612  -7.011
   53   2HG2  THR   8          HG22      THR   8 -10.473 -10.931  -7.366
   54   3HG2  THR   8          HG23      THR   8  -8.889 -11.593  -7.869
   55    H    LEU   9           H        LEU   9 -10.002  -8.522  -4.152
   56    HA   LEU   9           HA       LEU   9  -8.277  -7.460  -2.313
   57   1HB   LEU   9           HB2      LEU   9 -11.038  -7.737  -2.598
   58   2HB   LEU   9           HB3      LEU   9 -10.756  -8.550  -1.111
   59    HG   LEU   9           HG       LEU   9  -9.901  -5.691  -1.784
   60   1HD1  LEU   9          HD11      LEU   9 -12.318  -5.937  -1.361
   61   2HD1  LEU   9          HD12      LEU   9 -11.971  -6.707   0.201
   62   3HD1  LEU   9          HD13      LEU   9 -11.523  -5.010  -0.085
   63   1HD2  LEU   9          HD21      LEU   9  -9.416  -7.379   0.698
   64   2HD2  LEU   9          HD22      LEU   9  -8.219  -6.462  -0.246
   65   3HD2  LEU   9          HD23      LEU   9  -9.406  -5.608   0.746
   66    H    GLU  10           H        GLU  10  -9.610 -10.754  -2.372
   67    HA   GLU  10           HA       GLU  10  -8.615 -11.754   0.036
   68   1HB   GLU  10           HB2      GLU  10 -10.172 -12.868  -1.645
   69   2HB   GLU  10           HB3      GLU  10  -8.730 -13.366  -2.526
   70   1HG   GLU  10           HG2      GLU  10  -9.274 -15.197  -1.135
   71   2HG   GLU  10           HG3      GLU  10  -7.905 -14.426  -0.329
   72    H    GLU  11           H        GLU  11  -6.976 -12.479  -3.106
   73    HA   GLU  11           HA       GLU  11  -4.571 -13.253  -2.154
   74   1HB   GLU  11           HB2      GLU  11  -5.549 -12.208  -4.731
   75   2HB   GLU  11           HB3      GLU  11  -3.887 -11.738  -4.429
   76   1HG   GLU  11           HG2      GLU  11  -3.827 -13.806  -5.594
   77   2HG   GLU  11           HG3      GLU  11  -3.336 -14.150  -3.933
   78    H    ILE  12           H        ILE  12  -5.502  -9.857  -2.748
   79    HA   ILE  12           HA       ILE  12  -2.969  -8.787  -1.960
   80    HB   ILE  12           HB       ILE  12  -5.751  -7.568  -1.797
   81   1HG1  ILE  12          HG12      ILE  12  -3.653  -7.235  -3.991
   82   2HG1  ILE  12          HG13      ILE  12  -4.947  -8.401  -4.111
   83   1HG2  ILE  12          HG21      ILE  12  -4.888  -5.526  -1.297
   84   2HG2  ILE  12          HG22      ILE  12  -3.517  -6.425  -0.638
   85   3HG2  ILE  12          HG23      ILE  12  -3.429  -5.762  -2.267
   86   1HD1  ILE  12          HD11      ILE  12  -5.559  -6.369  -5.297
   87   2HD1  ILE  12          HD12      ILE  12  -6.647  -6.666  -3.941
   88   3HD1  ILE  12          HD13      ILE  12  -5.369  -5.428  -3.818
   89    H    GLN  13           H        GLN  13  -5.947  -9.479  -0.051
   90    HA   GLN  13           HA       GLN  13  -5.167  -8.618   2.499
   91   1HB   GLN  13           HB2      GLN  13  -7.166 -10.543   1.400
   92   2HB   GLN  13           HB3      GLN  13  -6.734 -10.741   3.061
   93   1HG   GLN  13           HG2      GLN  13  -7.388  -7.946   2.136
   94   2HG   GLN  13           HG3      GLN  13  -8.693  -9.134   2.157
   95   1HE2  GLN  13          HE21      GLN  13  -9.609  -7.573   3.784
   96   2HE2  GLN  13          HE22      GLN  13  -9.150  -7.849   5.458
   97    H    LYS  14           H        LYS  14  -4.596 -11.762   0.879
   98    HA   LYS  14           HA       LYS  14  -3.461 -13.168   3.016
   99   1HB   LYS  14           HB2      LYS  14  -2.678 -13.178   0.092
  100   2HB   LYS  14           HB3      LYS  14  -2.116 -14.361   1.234
  101   1HG   LYS  14           HG2      LYS  14  -5.125 -13.966   0.886
  102   2HG   LYS  14           HG3      LYS  14  -4.201 -14.722  -0.393
  103   1HD   LYS  14           HD2      LYS  14  -4.519 -16.652   0.625
  104   2HD   LYS  14           HD3      LYS  14  -3.243 -16.156   1.728
  105   1HE   LYS  14           HE2      LYS  14  -5.435 -14.969   2.931
  106   2HE   LYS  14           HE3      LYS  14  -6.228 -16.315   2.104
  107   1HZ   LYS  14           HZ1      LYS  14  -5.553 -16.895   4.316
  108   2HZ   LYS  14           HZ2      LYS  14  -4.685 -17.796   3.245
  109   3HZ   LYS  14           HZ3      LYS  14  -3.985 -16.511   4.005
  110    H    HIS  15           H        HIS  15  -2.100 -10.472   1.230
  111    HA   HIS  15           HA       HIS  15   0.623 -10.821   2.384
  112   1HB   HIS  15           HB2      HIS  15  -0.490  -8.846   0.366
  113   2HB   HIS  15           HB3      HIS  15   1.160  -8.851   0.968
  114    HD1  HIS  15           HD1      HIS  15   2.430  -9.454  -1.212
  115    HD2  HIS  15           HD2      HIS  15  -0.895 -11.902  -0.451
  116    HE1  HIS  15           HE1      HIS  15   2.486 -11.337  -2.932
  117    H    ASN  16           H        ASN  16  -0.527 -10.575   4.526
  118    HA   ASN  16           HA       ASN  16  -0.469  -7.702   5.362
  119   1HB   ASN  16           HB2      ASN  16  -2.419  -7.916   6.706
  120   2HB   ASN  16           HB3      ASN  16  -2.866  -8.514   5.115
  121   1HD2  ASN  16          HD21      ASN  16  -2.679 -10.939   4.839
  122   2HD2  ASN  16          HD22      ASN  16  -3.065 -11.986   6.184
  123    H    ASN  17           H        ASN  17   1.545  -9.986   5.633
  124    HA   ASN  17           HA       ASN  17   2.053  -9.819   8.435
  125   1HB   ASN  17           HB2      ASN  17   0.006 -11.678   7.940
  126   2HB   ASN  17           HB3      ASN  17   1.445 -12.688   7.919
  127   1HD2  ASN  17          HD21      ASN  17   1.563 -13.677   9.965
  128   2HD2  ASN  17          HD22      ASN  17   1.305 -12.796  11.459
  129    H    SER  18           H        SER  18   3.798 -11.532   9.070
  130    HA   SER  18           HA       SER  18   5.917 -12.173   8.776
  131   1HB   SER  18           HB2      SER  18   4.540 -13.370   6.542
  132   2HB   SER  18           HB3      SER  18   6.118 -12.837   5.962
  133    HG   SER  18           HG       SER  18   7.067 -14.025   7.626
  134    H    LYS  19           H        LYS  19   5.279 -10.657   5.609
  135    HA   LYS  19           HA       LYS  19   6.702  -8.288   6.292
  136   1HB   LYS  19           HB2      LYS  19   8.471 -10.301   5.394
  137   2HB   LYS  19           HB3      LYS  19   8.117  -9.373   3.927
  138   1HG   LYS  19           HG2      LYS  19   8.524  -7.270   5.267
  139   2HG   LYS  19           HG3      LYS  19   9.107  -8.292   6.597
  140   1HD   LYS  19           HD2      LYS  19  11.057  -8.899   5.446
  141   2HD   LYS  19           HD3      LYS  19  10.372  -8.523   3.848
  142   1HE   LYS  19           HE2      LYS  19  10.443  -6.159   4.201
  143   2HE   LYS  19           HE3      LYS  19  10.695  -6.328   5.944
  144   1HZ   LYS  19           HZ1      LYS  19  12.659  -5.622   4.900
  145   2HZ   LYS  19           HZ2      LYS  19  12.902  -7.128   5.504
  146   3HZ   LYS  19           HZ3      LYS  19  12.697  -6.923   3.881
  147    H    SER  20           H        SER  20   5.486 -10.386   3.646
  148    HA   SER  20           HA       SER  20   4.958  -8.660   1.642
  149   1HB   SER  20           HB2      SER  20   3.085 -10.810   2.688
  150   2HB   SER  20           HB3      SER  20   3.282 -10.264   1.010
  151    HG   SER  20           HG       SER  20   5.467 -11.001   1.137
  152    H    THR  21           H        THR  21   4.110  -6.706   1.717
  153    HA   THR  21           HA       THR  21   1.642  -6.102   3.286
  154    HB   THR  21           HB       THR  21   4.220  -4.530   2.982
  155    HG1  THR  21           HG1      THR  21   4.424  -4.920   5.115
  156   1HG2  THR  21          HG21      THR  21   3.250  -2.639   3.646
  157   2HG2  THR  21          HG22      THR  21   1.700  -3.326   3.165
  158   3HG2  THR  21          HG23      THR  21   2.242  -3.459   4.844
  159    H    TRP  22           H        TRP  22   0.366  -6.318   1.447
  160    HA   TRP  22           HA       TRP  22   0.809  -4.343  -0.772
  161   1HB   TRP  22           HB2      TRP  22  -0.840  -6.893  -0.583
  162   2HB   TRP  22           HB3      TRP  22  -0.963  -5.728  -1.885
  163    HD1  TRP  22           HD1      TRP  22   2.622  -6.061  -1.028
  164    HE1  TRP  22           HE1      TRP  22   3.823  -7.263  -2.778
  165    HE3  TRP  22           HE3      TRP  22  -1.455  -7.967  -3.416
  166    HZ2  TRP  22           HZ2      TRP  22   3.100  -8.983  -5.136
  167    HZ3  TRP  22           HZ3      TRP  22  -1.203  -9.466  -5.322
  168    HH2  TRP  22           HH2      TRP  22   1.084  -9.889  -6.302
  169    H    LEU  23           H        LEU  23  -1.575  -3.635  -1.524
  170    HA   LEU  23           HA       LEU  23  -3.700  -3.506   0.279
  171   1HB   LEU  23           HB2      LEU  23  -3.430  -1.044   0.962
  172   2HB   LEU  23           HB3      LEU  23  -2.567  -2.251   1.854
  173    HG   LEU  23           HG       LEU  23  -0.507  -1.719   0.292
  174   1HD1  LEU  23          HD11      LEU  23  -0.583   0.730  -0.430
  175   2HD1  LEU  23          HD12      LEU  23  -1.521  -0.380  -1.436
  176   3HD1  LEU  23          HD13      LEU  23  -2.326   0.613  -0.204
  177   1HD2  LEU  23          HD21      LEU  23  -1.636   0.140   2.379
  178   2HD2  LEU  23          HD22      LEU  23  -0.500  -1.212   2.602
  179   3HD2  LEU  23          HD23      LEU  23   0.026   0.233   1.711
  180    H    ILE  24           H        ILE  24  -5.224  -1.703  -0.382
  181    HA   ILE  24           HA       ILE  24  -4.933  -1.186  -3.325
  182    HB   ILE  24           HB       ILE  24  -7.393  -1.708  -1.665
  183   1HG1  ILE  24          HG12      ILE  24  -6.610  -3.177  -4.182
  184   2HG1  ILE  24          HG13      ILE  24  -5.721  -3.555  -2.710
  185   1HG2  ILE  24          HG21      ILE  24  -7.119  -0.853  -4.585
  186   2HG2  ILE  24          HG22      ILE  24  -8.604  -1.513  -3.875
  187   3HG2  ILE  24          HG23      ILE  24  -7.972   0.030  -3.299
  188   1HD1  ILE  24          HD11      ILE  24  -8.747  -3.513  -2.610
  189   2HD1  ILE  24          HD12      ILE  24  -7.863  -4.947  -3.153
  190   3HD1  ILE  24          HD13      ILE  24  -7.588  -4.303  -1.525
  191    H    LEU  25           H        LEU  25  -4.529   0.799  -3.808
  192    HA   LEU  25           HA       LEU  25  -5.622   3.131  -2.267
  193   1HB   LEU  25           HB2      LEU  25  -2.925   2.454  -3.275
  194   2HB   LEU  25           HB3      LEU  25  -3.467   4.101  -3.561
  195    HG   LEU  25           HG       LEU  25  -3.491   4.726  -1.395
  196   1HD1  LEU  25          HD11      LEU  25  -4.694   3.206  -0.273
  197   2HD1  LEU  25          HD12      LEU  25  -3.772   1.846  -0.889
  198   3HD1  LEU  25          HD13      LEU  25  -3.082   2.872   0.400
  199   1HD2  LEU  25          HD21      LEU  25  -1.262   4.515  -2.198
  200   2HD2  LEU  25          HD22      LEU  25  -1.246   3.958  -0.515
  201   3HD2  LEU  25          HD23      LEU  25  -1.182   2.774  -1.822
  202    H    HIS  26           H        HIS  26  -7.424   3.385  -3.491
  203    HA   HIS  26           HA       HIS  26  -8.686   4.142  -5.209
  204   1HB   HIS  26           HB2      HIS  26  -6.160   5.057  -6.615
  205   2HB   HIS  26           HB3      HIS  26  -7.801   5.665  -6.810
  206    HD1  HIS  26           HD1      HIS  26  -8.639   7.392  -4.852
  207    HD2  HIS  26           HD2      HIS  26  -4.746   5.849  -4.526
  208    HE1  HIS  26           HE1      HIS  26  -7.444   8.801  -3.089
  209    H    TYR  27           H        TYR  27  -8.523   1.556  -5.299
  210    HA   TYR  27           HA       TYR  27  -8.765  -0.288  -6.550
  211   1HB   TYR  27           HB2      TYR  27  -8.934   1.564  -8.957
  212   2HB   TYR  27           HB3      TYR  27  -9.513  -0.083  -8.833
  213    HD1  TYR  27           HD1      TYR  27 -10.110   3.406  -7.603
  214    HD2  TYR  27           HD2      TYR  27 -11.737  -0.541  -8.138
  215    HE1  TYR  27           HE1      TYR  27 -12.239   4.144  -6.584
  216    HE2  TYR  27           HE2      TYR  27 -13.880   0.208  -7.174
  217    HH   TYR  27           HH       TYR  27 -15.000   1.930  -6.113
  218    H    LYS  28           H        LYS  28  -5.904   1.133  -6.384
  219    HA   LYS  28           HA       LYS  28  -4.605  -0.642  -8.389
  220   1HB   LYS  28           HB2      LYS  28  -3.687   2.087  -7.456
  221   2HB   LYS  28           HB3      LYS  28  -2.781   0.951  -8.475
  222   1HG   LYS  28           HG2      LYS  28  -4.962   1.023  -9.962
  223   2HG   LYS  28           HG3      LYS  28  -5.324   2.488  -9.091
  224   1HD   LYS  28           HD2      LYS  28  -2.557   2.648  -9.985
  225   2HD   LYS  28           HD3      LYS  28  -3.497   1.949 -11.303
  226   1HE   LYS  28           HE2      LYS  28  -3.566   4.297 -11.667
  227   2HE   LYS  28           HE3      LYS  28  -5.163   3.853 -11.050
  228   1HZ   LYS  28           HZ1      LYS  28  -4.327   5.801  -9.950
  229   2HZ   LYS  28           HZ2      LYS  28  -4.414   4.569  -8.859
  230   3HZ   LYS  28           HZ3      LYS  28  -2.954   5.017  -9.478
  231    H    VAL  29           H        VAL  29  -3.017  -1.981  -7.698
  232    HA   VAL  29           HA       VAL  29  -2.724  -2.209  -4.800
  233    HB   VAL  29           HB       VAL  29  -1.805  -4.165  -6.928
  234   1HG1  VAL  29          HG11      VAL  29  -2.463  -4.361  -3.952
  235   2HG1  VAL  29          HG12      VAL  29  -2.225  -5.771  -5.001
  236   3HG1  VAL  29          HG13      VAL  29  -0.899  -4.638  -4.726
  237   1HG2  VAL  29          HG21      VAL  29  -4.531  -3.953  -5.618
  238   2HG2  VAL  29          HG22      VAL  29  -4.151  -3.786  -7.350
  239   3HG2  VAL  29          HG23      VAL  29  -3.931  -5.340  -6.564
  240    H    TYR  30           H        TYR  30  -0.817  -1.907  -3.741
  241    HA   TYR  30           HA       TYR  30   1.638  -1.222  -5.332
  242   1HB   TYR  30           HB2      TYR  30   0.444   0.123  -2.890
  243   2HB   TYR  30           HB3      TYR  30   2.035   0.479  -3.527
  244    HD1  TYR  30           HD1      TYR  30  -1.593   0.784  -4.058
  245    HD2  TYR  30           HD2      TYR  30   2.239   1.540  -5.819
  246    HE1  TYR  30           HE1      TYR  30  -2.614   2.487  -5.528
  247    HE2  TYR  30           HE2      TYR  30   1.169   3.153  -7.419
  248    HH   TYR  30           HH       TYR  30  -2.177   4.229  -6.894
  249    H    ASP  31           H        ASP  31   3.286  -2.561  -4.851
  250    HA   ASP  31           HA       ASP  31   3.263  -4.108  -2.313
  251   1HB   ASP  31           HB2      ASP  31   3.833  -5.358  -4.344
  252   2HB   ASP  31           HB3      ASP  31   5.117  -4.198  -4.733
  253    H    LEU  32           H        LEU  32   3.986  -2.842  -0.626
  254    HA   LEU  32           HA       LEU  32   6.465  -1.238  -1.069
  255   1HB   LEU  32           HB2      LEU  32   4.423  -0.726   1.049
  256   2HB   LEU  32           HB3      LEU  32   5.715   0.311   0.607
  257    HG   LEU  32           HG       LEU  32   4.027  -0.179  -1.755
  258   1HD1  LEU  32          HD11      LEU  32   2.344  -0.391   0.153
  259   2HD1  LEU  32          HD12      LEU  32   2.672   1.330   0.482
  260   3HD1  LEU  32          HD13      LEU  32   2.006   0.803  -1.083
  261   1HD2  LEU  32          HD21      LEU  32   4.691   2.425  -0.379
  262   2HD2  LEU  32          HD22      LEU  32   5.852   1.533  -1.382
  263   3HD2  LEU  32          HD23      LEU  32   4.356   2.107  -2.105
  264    H    THR  33           H        THR  33   5.973  -4.142  -0.361
  265    HA   THR  33           HA       THR  33   6.449  -4.595   2.373
  266    HB   THR  33           HB       THR  33   5.684  -6.191   0.585
  267    HG1  THR  33           HG1      THR  33   6.467  -6.834   2.714
  268   1HG2  THR  33          HG21      THR  33   7.539  -5.752  -1.048
  269   2HG2  THR  33          HG22      THR  33   8.605  -6.683   0.036
  270   3HG2  THR  33          HG23      THR  33   7.185  -7.455  -0.703
  271    H    LYS  34           H        LYS  34   8.633  -3.859  -0.251
  272    HA   LYS  34           HA       LYS  34  11.025  -3.927   1.567
  273   1HB   LYS  34           HB2      LYS  34  10.821  -3.750  -1.460
  274   2HB   LYS  34           HB3      LYS  34  12.323  -3.691  -0.535
  275   1HG   LYS  34           HG2      LYS  34  12.450  -5.914  -0.403
  276   2HG   LYS  34           HG3      LYS  34  10.858  -6.008   0.356
  277   1HD   LYS  34           HD2      LYS  34   9.822  -5.816  -1.952
  278   2HD   LYS  34           HD3      LYS  34  11.456  -5.915  -2.634
  279   1HE   LYS  34           HE2      LYS  34  11.786  -8.144  -1.796
  280   2HE   LYS  34           HE3      LYS  34  10.349  -8.076  -0.769
  281   1HZ   LYS  34           HZ1      LYS  34   8.982  -8.427  -2.496
  282   2HZ   LYS  34           HZ2      LYS  34   9.930  -7.688  -3.607
  283   3HZ   LYS  34           HZ3      LYS  34  10.299  -9.211  -3.100
  284    H    PHE  35           H        PHE  35   8.791  -1.975   1.735
  285    HA   PHE  35           HA       PHE  35  10.574   0.366   1.680
  286   1HB   PHE  35           HB2      PHE  35   8.679   0.077  -0.280
  287   2HB   PHE  35           HB3      PHE  35   7.722   0.747   0.969
  288    HD1  PHE  35           HD1      PHE  35   7.291   3.036   0.576
  289    HD2  PHE  35           HD2      PHE  35  11.275   1.500  -0.131
  290    HE1  PHE  35           HE1      PHE  35   8.095   5.320   0.043
  291    HE2  PHE  35           HE2      PHE  35  12.058   3.767  -0.637
  292    HZ   PHE  35           HZ       PHE  35  10.489   5.697  -0.532
  293    H    LEU  36           H        LEU  36   9.172  -1.669   3.669
  294    HA   LEU  36           HA       LEU  36   7.282  -0.070   5.124
  295   1HB   LEU  36           HB2      LEU  36   9.023  -2.433   5.955
  296   2HB   LEU  36           HB3      LEU  36   7.731  -1.764   6.950
  297    HG   LEU  36           HG       LEU  36   7.293  -2.844   4.124
  298   1HD1  LEU  36          HD11      LEU  36   6.425  -4.852   5.184
  299   2HD1  LEU  36          HD12      LEU  36   8.109  -4.596   5.648
  300   3HD1  LEU  36          HD13      LEU  36   6.808  -4.203   6.799
  301   1HD2  LEU  36          HD21      LEU  36   5.453  -1.871   6.349
  302   2HD2  LEU  36          HD22      LEU  36   5.518  -1.350   4.647
  303   3HD2  LEU  36          HD23      LEU  36   4.908  -2.952   5.064
  304    H    GLU  37           H        GLU  37  10.617  -0.978   6.005
  305    HA   GLU  37           HA       GLU  37  10.893   0.911   8.108
  306   1HB   GLU  37           HB2      GLU  37  13.272   0.217   7.980
  307   2HB   GLU  37           HB3      GLU  37  12.150  -1.139   7.977
  308   1HG   GLU  37           HG2      GLU  37  12.495  -0.796   5.240
  309   2HG   GLU  37           HG3      GLU  37  14.034  -0.237   5.866
  310    H    GLU  38           H        GLU  38  11.438   1.086   4.634
  311    HA   GLU  38           HA       GLU  38  12.931   3.539   4.629
  312   1HB   GLU  38           HB2      GLU  38  11.301   2.199   2.469
  313   2HB   GLU  38           HB3      GLU  38  12.454   3.477   2.213
  314   1HG   GLU  38           HG2      GLU  38  13.975   1.603   3.635
  315   2HG   GLU  38           HG3      GLU  38  12.962   0.591   2.593
  316    H    HIS  39           HN       HIS  39   9.464   2.743   4.131
  317    HA   HIS  39           HA       HIS  39   8.506   5.116   3.114
  318   1HB   HIS  39           HB2      HIS  39   7.087   3.265   3.172
  319   2HB   HIS  39           HB3      HIS  39   7.213   3.106   4.931
  320    HD1  HIS  39           HND      HIS  39   5.058   3.853   6.049
  321    HD2  HIS  39           HD       HIS  39   5.866   5.837   2.432
  322    HE1  HIS  39           HE       HIS  39   3.078   5.354   5.606
  323    HA   PRO  40           HA       PRO  40   9.529   7.488   6.850
  324   1HB   PRO  40           HB2      PRO  40   9.534  10.025   5.711
  325   2HB   PRO  40           HB3      PRO  40  10.853   8.840   5.637
  326   1HG   PRO  40           HG2      PRO  40   8.983   9.588   3.439
  327   2HG   PRO  40           HG3      PRO  40  10.634   8.957   3.375
  328   1HD   PRO  40           HD2      PRO  40   8.174   7.520   3.066
  329   2HD   PRO  40           HD3      PRO  40   9.831   6.866   3.118
  330    H    GLY  41           H        GLY  41   7.250   6.491   7.222
  331   1HA   GLY  41           HA1      GLY  41   5.382   8.675   7.902
  332   2HA   GLY  41           HA2      GLY  41   4.804   7.419   6.781
  333    H    GLY  42           H        GLY  42   5.913   5.123   7.839
  334   1HA   GLY  42           HA1      GLY  42   6.040   4.482  10.421
  335   2HA   GLY  42           HA2      GLY  42   4.298   4.785  10.295
  336    H    GLU  43           H        GLU  43   6.671   2.422   9.955
  337    HA   GLU  43           HA       GLU  43   5.532   0.759   7.900
  338   1HB   GLU  43           HB2      GLU  43   6.748  -1.047   8.966
  339   2HB   GLU  43           HB3      GLU  43   7.788   0.343   8.639
  340   1HG   GLU  43           HG2      GLU  43   6.644  -0.186  11.423
  341   2HG   GLU  43           HG3      GLU  43   8.124  -0.919  10.826
  342    H    ALA  44           H        ALA  44   4.924   1.253  11.372
  343    HA   ALA  44           HA       ALA  44   3.242  -0.943  11.838
  344   1HB   ALA  44           HB1      ALA  44   2.979   1.844  13.050
  345   2HB   ALA  44           HB2      ALA  44   2.297   0.336  13.696
  346   3HB   ALA  44           HB3      ALA  44   4.057   0.551  13.623
  347    H    VAL  45           H        VAL  45   2.160   2.407  10.926
  348    HA   VAL  45           HA       VAL  45  -0.506   1.488  10.465
  349    HB   VAL  45           HB       VAL  45   0.017   3.813  11.017
  350   1HG1  VAL  45          HG11      VAL  45   0.683   5.403   9.308
  351   2HG1  VAL  45          HG12      VAL  45   1.958   4.196   9.516
  352   3HG1  VAL  45          HG13      VAL  45   0.875   4.119   8.103
  353   1HG2  VAL  45          HG21      VAL  45  -1.712   4.775   9.540
  354   2HG2  VAL  45          HG22      VAL  45  -1.581   3.376   8.458
  355   3HG2  VAL  45          HG23      VAL  45  -2.150   3.164  10.127
  356    H    LEU  46           H        LEU  46   2.340   1.973   8.133
  357    HA   LEU  46           HA       LEU  46   0.784   1.361   5.893
  358   1HB   LEU  46           HB2      LEU  46   3.341   2.044   6.290
  359   2HB   LEU  46           HB3      LEU  46   3.601   0.315   6.039
  360    HG   LEU  46           HG       LEU  46   2.290   2.380   4.203
  361   1HD1  LEU  46          HD11      LEU  46   4.610   0.727   3.295
  362   2HD1  LEU  46          HD12      LEU  46   4.239   2.440   3.022
  363   3HD1  LEU  46          HD13      LEU  46   4.957   1.909   4.557
  364   1HD2  LEU  46          HD21      LEU  46   1.066   0.381   3.778
  365   2HD2  LEU  46          HD22      LEU  46   2.299   0.447   2.512
  366   3HD2  LEU  46          HD23      LEU  46   2.526  -0.622   3.904
  367    H    ARG  47           H        ARG  47   2.118  -0.814   8.362
  368    HA   ARG  47           HA       ARG  47   1.625  -3.288   6.948
  369   1HB   ARG  47           HB2      ARG  47   3.419  -3.031   8.595
  370   2HB   ARG  47           HB3      ARG  47   2.234  -2.690   9.859
  371   1HG   ARG  47           HG2      ARG  47   3.003  -4.938  10.062
  372   2HG   ARG  47           HG3      ARG  47   1.302  -4.980   9.627
  373   1HD   ARG  47           HD2      ARG  47   1.676  -5.871   7.538
  374   2HD   ARG  47           HD3      ARG  47   3.222  -5.077   7.306
  375    HE   ARG  47           HE       ARG  47   2.735  -7.695   8.406
  376   1HH1  ARG  47          HH11      ARG  47   6.149  -8.232   9.204
  377   2HH1  ARG  47          HH12      ARG  47   4.584  -8.946   9.110
  378   1HH2  ARG  47          HH21      ARG  47   6.303  -5.820   9.110
  379   2HH2  ARG  47          HH22      ARG  47   4.886  -4.935   8.628
  380    H    ALA  48           H        ALA  48  -0.014  -1.419   9.519
  381    HA   ALA  48           HA       ALA  48  -1.995  -3.349  10.147
  382   1HB   ALA  48           HB1      ALA  48  -3.143  -1.448  11.209
  383   2HB   ALA  48           HB2      ALA  48  -1.391  -1.393  11.538
  384   3HB   ALA  48           HB3      ALA  48  -2.098  -0.309  10.322
  385    H    GLN  49           H        GLN  49  -2.102  -0.512   7.915
  386    HA   GLN  49           HA       GLN  49  -4.723  -1.188   6.869
  387   1HB   GLN  49           HB2      GLN  49  -2.505   0.796   6.405
  388   2HB   GLN  49           HB3      GLN  49  -3.647   0.539   5.117
  389   1HG   GLN  49           HG2      GLN  49  -4.334   2.391   6.498
  390   2HG   GLN  49           HG3      GLN  49  -5.542   1.095   6.475
  391   1HE2  GLN  49          HE21      GLN  49  -4.382   3.411   8.502
  392   2HE2  GLN  49          HE22      GLN  49  -4.521   2.529  10.013
  393    H    ALA  50           H        ALA  50  -1.630  -2.547   6.359
  394    HA   ALA  50           HA       ALA  50  -1.749  -3.133   3.633
  395   1HB   ALA  50           HB1      ALA  50   0.150  -3.575   5.264
  396   2HB   ALA  50           HB2      ALA  50  -0.652  -5.117   5.633
  397   3HB   ALA  50           HB3      ALA  50  -0.117  -4.772   3.982
  398    H    GLY  51           H        GLY  51  -2.320  -5.094   2.555
  399   1HA   GLY  51           HA1      GLY  51  -3.792  -6.691   1.894
  400   2HA   GLY  51           HA2      GLY  51  -3.748  -7.266   3.573
  401    H    GLY  52           H        GLY  52  -5.021  -4.305   1.894
  402   1HA   GLY  52           HA1      GLY  52  -7.756  -4.932   2.220
  403   2HA   GLY  52           HA2      GLY  52  -7.213  -3.978   3.619
  404    H    ASP  53           H        ASP  53  -8.973  -2.626   2.419
  405    HA   ASP  53           HA       ASP  53  -7.931  -0.853   0.327
  406   1HB   ASP  53           HB2      ASP  53 -10.393  -1.289   0.620
  407   2HB   ASP  53           HB3      ASP  53 -10.308  -0.465   2.190
  408    H    ALA  54           H        ALA  54  -6.572   0.794   0.783
  409    HA   ALA  54           HA       ALA  54  -6.676   1.996   3.525
  410   1HB   ALA  54           HB1      ALA  54  -4.113   1.608   1.943
  411   2HB   ALA  54           HB2      ALA  54  -4.303   2.264   3.584
  412   3HB   ALA  54           HB3      ALA  54  -4.634   0.532   3.241
  413    H    THR  55           H        THR  55  -7.967   2.563   0.860
  414    HA   THR  55           HA       THR  55  -6.414   4.649  -0.425
  415    HB   THR  55           HB       THR  55  -9.383   3.961  -0.695
  416    HG1  THR  55           HG1      THR  55  -7.827   2.231  -1.184
  417   1HG2  THR  55          HG21      THR  55  -9.029   5.020  -2.937
  418   2HG2  THR  55          HG22      THR  55  -8.707   6.188  -1.640
  419   3HG2  THR  55          HG23      THR  55  -7.350   5.384  -2.462
  420    H    ALA  56           H        ALA  56  -9.360   4.606   1.612
  421    HA   ALA  56           HA       ALA  56  -9.570   7.423   1.911
  422   1HB   ALA  56           HB1      ALA  56 -11.151   6.969   3.634
  423   2HB   ALA  56           HB2      ALA  56 -11.346   5.705   2.407
  424   3HB   ALA  56           HB3      ALA  56 -10.492   5.343   3.924
  425    H    ASN  57           H        ASN  57  -7.704   5.004   3.653
  426    HA   ASN  57           HA       ASN  57  -6.956   6.643   5.895
  427   1HB   ASN  57           HB2      ASN  57  -6.763   3.927   5.164
  428   2HB   ASN  57           HB3      ASN  57  -5.091   4.457   5.184
  429   1HD2  ASN  57          HD21      ASN  57  -7.965   3.759   7.091
  430   2HD2  ASN  57          HD22      ASN  57  -7.181   3.946   8.647
  431    H    PHE  58           H        PHE  58  -5.282   5.630   2.925
  432    HA   PHE  58           HA       PHE  58  -2.882   7.072   3.108
  433   1HB   PHE  58           HB2      PHE  58  -3.313   5.333   1.463
  434   2HB   PHE  58           HB3      PHE  58  -4.594   6.268   0.719
  435    HD1  PHE  58           HD1      PHE  58  -0.988   5.824   1.001
  436    HD2  PHE  58           HD2      PHE  58  -4.102   8.234  -0.723
  437    HE1  PHE  58           HE1      PHE  58   0.649   6.791  -0.608
  438    HE2  PHE  58           HE2      PHE  58  -2.463   9.248  -2.271
  439    HZ   PHE  58           HZ       PHE  58  -0.088   8.488  -2.252
  440    H    GLU  59           H        GLU  59  -5.976   8.035   1.479
  441    HA   GLU  59           HA       GLU  59  -4.926  10.587   0.755
  442   1HB   GLU  59           HB2      GLU  59  -7.095  11.077  -0.122
  443   2HB   GLU  59           HB3      GLU  59  -6.597   9.430  -0.527
  444   1HG   GLU  59           HG2      GLU  59  -8.693   8.887   0.093
  445   2HG   GLU  59           HG3      GLU  59  -8.003   8.925   1.716
  446    H    ALA  60           H        ALA  60  -6.985   9.512   3.483
  447    HA   ALA  60           HA       ALA  60  -7.474  11.929   4.711
  448   1HB   ALA  60           HB1      ALA  60  -7.338  10.631   6.892
  449   2HB   ALA  60           HB2      ALA  60  -8.392   9.935   5.648
  450   3HB   ALA  60           HB3      ALA  60  -6.793   9.230   5.949
  451    H    VAL  61           H        VAL  61  -4.452   9.973   5.057
  452    HA   VAL  61           HA       VAL  61  -3.117  11.996   6.650
  453    HB   VAL  61           HB       VAL  61  -2.029   9.724   4.938
  454   1HG1  VAL  61          HG11      VAL  61  -0.274  11.436   5.134
  455   2HG1  VAL  61          HG12      VAL  61  -0.608  11.616   6.867
  456   3HG1  VAL  61          HG13      VAL  61   0.073  10.107   6.224
  457   1HG2  VAL  61          HG21      VAL  61  -2.281  10.065   7.965
  458   2HG2  VAL  61          HG22      VAL  61  -3.370   9.074   6.974
  459   3HG2  VAL  61          HG23      VAL  61  -1.661   8.640   7.106
  460    H    GLY  62           H        GLY  62  -3.042  11.203   3.146
  461   1HA   GLY  62           HA1      GLY  62  -2.901  12.756   1.398
  462   2HA   GLY  62           HA2      GLY  62  -2.391  14.040   2.504
  463    H    HIS  63           HN       HIS  63  -1.065  13.452   0.041
  464    HA   HIS  63           HA       HIS  63   1.625  12.597   0.840
  465   1HB   HIS  63           HB2      HIS  63  -0.296  11.005  -0.910
  466   2HB   HIS  63           HB3      HIS  63   1.435  10.882  -1.127
  467    HD1  HIS  63           HND      HIS  63  -1.267   9.658   1.294
  468    HD2  HIS  63           HD       HIS  63   2.891   9.697   0.746
  469    HE1  HIS  63           HE       HIS  63  -0.329   7.903   2.857
  470    H    SER  64           H        SER  64   3.142  13.495  -0.585
  471    HA   SER  64           HA       SER  64   2.071  15.713  -2.144
  472   1HB   SER  64           HB2      SER  64   4.168  15.702  -0.534
  473   2HB   SER  64           HB3      SER  64   5.025  15.131  -1.979
  474    HG   SER  64           HG       SER  64   5.023  17.365  -2.046
  475    H    THR  65           H        THR  65   3.909  16.178  -4.062
  476    HA   THR  65           HA       THR  65   2.932  14.626  -6.244
  477    HB   THR  65           HB       THR  65   4.556  15.839  -7.617
  478    HG1  THR  65           HG1      THR  65   5.674  17.101  -5.357
  479   1HG2  THR  65          HG21      THR  65   2.514  17.065  -6.524
  480   2HG2  THR  65          HG22      THR  65   3.728  17.885  -5.524
  481   3HG2  THR  65          HG23      THR  65   3.787  18.038  -7.288
  482    H    ASP  66           H        ASP  66   6.326  14.787  -5.192
  483    HA   ASP  66           HA       ASP  66   7.290  12.543  -6.360
  484   1HB   ASP  66           HB2      ASP  66   8.095  14.272  -4.178
  485   2HB   ASP  66           HB3      ASP  66   8.311  12.621  -3.618
  486    H    ALA  67           H        ALA  67   5.244  12.602  -3.453
  487    HA   ALA  67           HA       ALA  67   5.514   9.802  -2.877
  488   1HB   ALA  67           HB1      ALA  67   3.665  10.093  -1.391
  489   2HB   ALA  67           HB2      ALA  67   4.734  11.506  -1.241
  490   3HB   ALA  67           HB3      ALA  67   3.225  11.628  -2.160
  491    H    ARG  68           H        ARG  68   2.856  11.604  -4.659
  492    HA   ARG  68           HA       ARG  68   1.443   9.169  -5.272
  493   1HB   ARG  68           HB2      ARG  68   0.055  10.526  -6.670
  494   2HB   ARG  68           HB3      ARG  68   0.413  11.414  -5.169
  495   1HG   ARG  68           HG2      ARG  68   2.029  12.728  -6.243
  496   2HG   ARG  68           HG3      ARG  68   1.889  11.919  -7.801
  497   1HD   ARG  68           HD2      ARG  68  -0.563  13.170  -6.575
  498   2HD   ARG  68           HD3      ARG  68   0.731  14.228  -7.164
  499    HE   ARG  68           HE       ARG  68   0.048  12.217  -9.120
  500   1HH1  ARG  68          HH11      ARG  68  -1.524  14.534 -11.265
  501   2HH1  ARG  68          HH12      ARG  68  -0.754  12.990 -11.171
  502   1HH2  ARG  68          HH21      ARG  68  -1.639  15.920  -9.354
  503   2HH2  ARG  68          HH22      ARG  68  -1.019  15.321  -7.847
  504    H    GLU  69           H        GLU  69   4.212  10.671  -6.654
  505    HA   GLU  69           HA       GLU  69   4.067   9.167  -9.190
  506   1HB   GLU  69           HB2      GLU  69   5.922  11.138  -7.948
  507   2HB   GLU  69           HB3      GLU  69   6.412  10.234  -9.383
  508   1HG   GLU  69           HG2      GLU  69   3.733  11.675  -9.371
  509   2HG   GLU  69           HG3      GLU  69   5.222  12.589  -9.628
  510    H    LEU  70           H        LEU  70   5.941   9.103  -6.144
  511    HA   LEU  70           HA       LEU  70   7.602   6.967  -6.771
  512   1HB   LEU  70           HB2      LEU  70   7.891   8.447  -4.862
  513   2HB   LEU  70           HB3      LEU  70   6.434   7.794  -4.115
  514    HG   LEU  70           HG       LEU  70   7.442   6.036  -3.201
  515   1HD1  LEU  70          HD11      LEU  70   9.109   5.880  -5.684
  516   2HD1  LEU  70          HD12      LEU  70   9.427   4.861  -4.260
  517   3HD1  LEU  70          HD13      LEU  70   7.835   4.815  -5.021
  518   1HD2  LEU  70          HD21      LEU  70   9.872   6.448  -2.672
  519   2HD2  LEU  70          HD22      LEU  70   9.808   7.866  -3.727
  520   3HD2  LEU  70          HD23      LEU  70   8.775   7.782  -2.278
  521    H    SER  71           H        SER  71   4.494   6.948  -5.060
  522    HA   SER  71           HA       SER  71   3.929   4.249  -4.870
  523   1HB   SER  71           HB2      SER  71   1.601   4.756  -4.999
  524   2HB   SER  71           HB3      SER  71   2.432   6.092  -4.162
  525    HG   SER  71           HG       SER  71   1.210   6.029  -6.675
  526    H    LYS  72           H        LYS  72   3.503   6.142  -7.935
  527    HA   LYS  72           HA       LYS  72   2.628   3.901  -9.435
  528   1HB   LYS  72           HB2      LYS  72   3.925   6.491 -10.269
  529   2HB   LYS  72           HB3      LYS  72   3.541   5.209 -11.419
  530   1HG   LYS  72           HG2      LYS  72   1.196   5.156 -10.554
  531   2HG   LYS  72           HG3      LYS  72   1.539   6.559  -9.545
  532   1HD   LYS  72           HD2      LYS  72   1.956   6.467 -12.582
  533   2HD   LYS  72           HD3      LYS  72   0.415   6.956 -11.883
  534   1HE   LYS  72           HE2      LYS  72   3.115   8.256 -11.377
  535   2HE   LYS  72           HE3      LYS  72   1.913   8.880 -12.505
  536   1HZ   LYS  72           HZ1      LYS  72   1.700   8.757  -9.556
  537   2HZ   LYS  72           HZ2      LYS  72   1.766  10.061 -10.537
  538   3HZ   LYS  72           HZ3      LYS  72   0.423   9.088 -10.556
  539    H    THR  73           H        THR  73   5.902   4.858  -8.537
  540    HA   THR  73           HA       THR  73   7.231   2.912 -10.255
  541    HB   THR  73           HB       THR  73   8.097   4.775  -8.034
  542    HG1  THR  73           HG1      THR  73   7.813   5.446 -10.210
  543   1HG2  THR  73          HG21      THR  73   9.445   2.841  -7.545
  544   2HG2  THR  73          HG22      THR  73   9.869   2.655  -9.268
  545   3HG2  THR  73          HG23      THR  73  10.411   4.080  -8.353
  546    H    PHE  74           H        PHE  74   5.296   2.547  -7.460
  547    HA   PHE  74           HA       PHE  74   6.509  -0.119  -6.845
  548   1HB   PHE  74           HB2      PHE  74   4.966   1.850  -5.112
  549   2HB   PHE  74           HB3      PHE  74   5.120   0.150  -4.695
  550    HD1  PHE  74           HD1      PHE  74   7.593  -0.845  -4.868
  551    HD2  PHE  74           HD2      PHE  74   6.458   3.182  -3.826
  552    HE1  PHE  74           HE1      PHE  74   9.736  -0.555  -3.658
  553    HE2  PHE  74           HE2      PHE  74   8.567   3.426  -2.537
  554    HZ   PHE  74           HZ       PHE  74  10.215   1.572  -2.491
  555    H    ILE  75           H        ILE  75   4.122   1.314  -8.655
  556    HA   ILE  75           HA       ILE  75   1.834  -0.203  -7.828
  557    HB   ILE  75           HB       ILE  75   2.155   1.840  -9.441
  558   1HG1  ILE  75          HG12      ILE  75  -0.024   1.171  -8.773
  559   2HG1  ILE  75          HG13      ILE  75   0.012   1.529 -10.502
  560   1HG2  ILE  75          HG21      ILE  75   3.529   0.627 -11.123
  561   2HG2  ILE  75          HG22      ILE  75   2.155  -0.402 -11.491
  562   3HG2  ILE  75          HG23      ILE  75   2.062   1.344 -11.815
  563   1HD1  ILE  75          HD11      ILE  75  -1.306  -0.416 -10.234
  564   2HD1  ILE  75          HD12      ILE  75   0.243  -1.037 -10.835
  565   3HD1  ILE  75          HD13      ILE  75  -0.133  -1.122  -9.108
  566    H    ILE  76           H        ILE  76   1.329  -2.312  -8.169
  567    HA   ILE  76           HA       ILE  76   3.168  -3.967  -9.883
  568    HB   ILE  76           HB       ILE  76   2.360  -5.844  -8.419
  569   1HG1  ILE  76          HG12      ILE  76   1.566  -3.616  -6.472
  570   2HG1  ILE  76          HG13      ILE  76   0.398  -4.483  -7.443
  571   1HG2  ILE  76          HG21      ILE  76   4.603  -4.708  -8.292
  572   2HG2  ILE  76          HG22      ILE  76   3.956  -3.637  -7.038
  573   3HG2  ILE  76          HG23      ILE  76   4.091  -5.382  -6.753
  574   1HD1  ILE  76          HD11      ILE  76   1.220  -5.208  -4.961
  575   2HD1  ILE  76          HD12      ILE  76   0.485  -6.311  -6.155
  576   3HD1  ILE  76          HD13      ILE  76   2.247  -6.248  -5.958
  577    H    GLY  77           H        GLY  77  -0.263  -3.265  -9.105
  578   1HA   GLY  77           HA1      GLY  77  -1.133  -3.868 -11.722
  579   2HA   GLY  77           HA2      GLY  77  -1.472  -5.263 -10.665
  580    H    GLU  78           H        GLU  78  -3.657  -4.539 -11.251
  581    HA   GLU  78           HA       GLU  78  -4.693  -2.282  -9.641
  582   1HB   GLU  78           HB2      GLU  78  -5.088  -3.040 -12.460
  583   2HB   GLU  78           HB3      GLU  78  -6.594  -2.811 -11.575
  584   1HG   GLU  78           HG2      GLU  78  -5.918  -0.620 -10.875
  585   2HG   GLU  78           HG3      GLU  78  -4.363  -0.766 -11.742
  586    H    LEU  79           H        LEU  79  -6.968  -2.547  -9.137
  587    HA   LEU  79           HA       LEU  79  -7.384  -4.888  -7.516
  588   1HB   LEU  79           HB2      LEU  79  -8.261  -2.645  -6.956
  589   2HB   LEU  79           HB3      LEU  79  -9.204  -2.640  -8.453
  590    HG   LEU  79           HG       LEU  79 -10.329  -4.814  -7.479
  591   1HD1  LEU  79          HD11      LEU  79 -10.075  -5.332  -5.279
  592   2HD1  LEU  79          HD12      LEU  79  -8.481  -4.613  -5.493
  593   3HD1  LEU  79          HD13      LEU  79  -9.797  -3.648  -4.789
  594   1HD2  LEU  79          HD21      LEU  79 -10.818  -2.037  -6.390
  595   2HD2  LEU  79          HD22      LEU  79 -11.448  -2.762  -7.898
  596   3HD2  LEU  79          HD23      LEU  79 -11.964  -3.392  -6.337
  597    H    HIS  80           H        HIS  80  -8.371  -6.774  -8.064
  598    HA   HIS  80           HA       HIS  80  -8.906  -7.562 -10.674
  599   1HB   HIS  80           HB2      HIS  80  -8.615  -8.887  -8.507
  600   2HB   HIS  80           HB3      HIS  80 -10.373  -8.790  -8.350
  601    HD1  HIS  80           HD1      HIS  80 -11.618 -10.610  -9.893
  602    HD2  HIS  80           HD2      HIS  80  -7.475 -10.264 -10.472
  603    HE1  HIS  80           HE1      HIS  80 -10.959 -12.491 -11.442
  604    HA   PRO  81           HA       PRO  81 -12.828  -5.895 -11.700
  605   1HB   PRO  81           HB2      PRO  81 -13.562  -7.467 -13.820
  606   2HB   PRO  81           HB3      PRO  81 -12.337  -6.168 -13.877
  607   1HG   PRO  81           HG2      PRO  81 -11.871  -9.136 -13.550
  608   2HG   PRO  81           HG3      PRO  81 -10.995  -7.988 -14.611
  609   1HD   PRO  81           HD2      PRO  81 -10.040  -8.791 -12.225
  610   2HD   PRO  81           HD3      PRO  81  -9.766  -7.129 -12.815
  611    H    ASP  82           H        ASP  82 -12.420  -8.934 -10.268
  612    HA   ASP  82           HA       ASP  82 -15.254  -9.679 -10.141
  613   1HB   ASP  82           HB2      ASP  82 -13.366 -11.338 -10.158
  614   2HB   ASP  82           HB3      ASP  82 -12.924 -10.759  -8.511
  615    H    ASP  83           H        ASP  83 -12.922  -7.775  -8.269
  616    HA   ASP  83           HA       ASP  83 -14.416  -7.773  -5.775
  617   1HB   ASP  83           HB2      ASP  83 -12.014  -7.481  -5.778
  618   2HB   ASP  83           HB3      ASP  83 -12.153  -6.074  -6.856
  619    H    ARG  84           H        ARG  84 -13.842  -5.456  -8.393
  620    HA   ARG  84           HA       ARG  84 -15.489  -3.379  -7.354
  621   1HB   ARG  84           HB2      ARG  84 -15.100  -2.261  -9.455
  622   2HB   ARG  84           HB3      ARG  84 -13.609  -3.078  -8.948
  623   1HG   ARG  84           HG2      ARG  84 -14.337  -5.022 -10.465
  624   2HG   ARG  84           HG3      ARG  84 -15.629  -3.995 -11.054
  625   1HD   ARG  84           HD2      ARG  84 -13.799  -3.885 -12.619
  626   2HD   ARG  84           HD3      ARG  84 -14.067  -2.315 -11.830
  627    HE   ARG  84           HE       ARG  84 -12.039  -3.918 -10.478
  628   1HH1  ARG  84          HH11      ARG  84  -9.388  -1.895 -11.711
  629   2HH1  ARG  84          HH12      ARG  84  -9.775  -3.276 -10.736
  630   1HH2  ARG  84          HH21      ARG  84 -10.958  -1.188 -13.318
  631   2HH2  ARG  84          HH22      ARG  84 -12.577  -1.823 -13.262
  632    HHA  HEM 201           HGM      HEM 201   4.744  10.815   5.031
  633    HHB  HEM 201           HDM      HEM 201   5.748   7.785  -0.580
  634    HHC  HEM 201           HAM      HEM 201   0.922   3.731   0.761
  635    HHD  HEM 201           HBM      HEM 201   0.176   6.510   6.536
  636   1HMA  HEM 201          HM81      HEM 201   7.764   9.132   0.187
  637   2HMA  HEM 201          HM82      HEM 201   6.616  10.227  -0.605
  638   3HMA  HEM 201          HM83      HEM 201   7.735  10.834   0.625
  639   1HAA  HEM 201          HAA1      HEM 201   6.939  12.127   2.122
  640   2HAA  HEM 201          HAA2      HEM 201   5.493  12.415   3.059
  641   1HBA  HEM 201          HBA1      HEM 201   7.490  10.723   4.417
  642   2HBA  HEM 201          HBA2      HEM 201   6.577  12.083   5.057
  643   1HMB  HEM 201          HM11      HEM 201   4.477   4.921  -2.845
  644   2HMB  HEM 201          HM12      HEM 201   4.941   6.619  -2.635
  645   3HMB  HEM 201          HM13      HEM 201   5.860   5.316  -1.827
  646    HAB  HEM 201          HT2A      HEM 201   2.412   2.878  -1.417
  647   1HBB  HEM 201          HV2C      HEM 201   1.010   5.331  -2.499
  648   2HBB  HEM 201          HV2T      HEM 201   0.797   3.537  -2.990
  649   1HMC  HEM 201          HM31      HEM 201  -1.440   2.499   3.513
  650   2HMC  HEM 201          HM32      HEM 201  -1.896   3.552   2.166
  651   3HMC  HEM 201          HM33      HEM 201  -0.497   2.465   2.017
  652    HAC  HEM 201          HT4A      HEM 201  -1.466   3.504   5.859
  653   1HBC  HEM 201          HV4C      HEM 201  -2.237   6.447   5.410
  654   2HBC  HEM 201          HV4T      HEM 201  -3.072   5.199   6.507
  655   1HMD  HEM 201          HM51      HEM 201   0.338   8.002   8.227
  656   2HMD  HEM 201          HM52      HEM 201   1.955   7.583   8.836
  657   3HMD  HEM 201          HM53      HEM 201   1.392   9.259   8.867
  658   1HAD  HEM 201          HAD1      HEM 201   3.665   9.971   8.516
  659   2HAD  HEM 201          HAD2      HEM 201   4.439  10.890   7.246
  660   1HBD  HEM 201          HBD1      HEM 201   2.770  12.458   7.178
  661   2HBD  HEM 201          HBD2      HEM 201   1.547  11.343   7.795
  Start of MODEL   16
    1   1H    ALA   3           H1       ALA   3   3.216  -4.267 -18.167
    2   2H    ALA   3           H2       ALA   3   4.337  -5.458 -18.133
    3   3H    ALA   3           H3       ALA   3   3.773  -4.915 -19.605
    4    HA   ALA   3           HA       ALA   3   1.877  -6.080 -19.484
    5   1HB   ALA   3           HB1      ALA   3   3.538  -7.844 -18.925
    6   2HB   ALA   3           HB2      ALA   3   3.411  -7.429 -17.200
    7   3HB   ALA   3           HB3      ALA   3   2.019  -8.120 -18.054
    8    H    VAL   4           H        VAL   4  -0.014  -6.804 -17.905
    9    HA   VAL   4           HA       VAL   4  -0.207  -5.116 -15.513
   10    HB   VAL   4           HB       VAL   4  -2.301  -5.190 -17.747
   11   1HG1  VAL   4          HG11      VAL   4  -3.591  -3.637 -16.320
   12   2HG1  VAL   4          HG12      VAL   4  -3.388  -5.188 -15.512
   13   3HG1  VAL   4          HG13      VAL   4  -2.387  -3.800 -15.028
   14   1HG2  VAL   4          HG21      VAL   4  -1.941  -2.707 -17.777
   15   2HG2  VAL   4          HG22      VAL   4  -0.593  -2.920 -16.639
   16   3HG2  VAL   4          HG23      VAL   4  -0.504  -3.602 -18.281
   17    H    LYS   5           H        LYS   5  -1.584  -6.155 -13.994
   18    HA   LYS   5           HA       LYS   5  -3.019  -8.519 -14.693
   19   1HB   LYS   5           HB2      LYS   5  -0.406  -9.063 -14.260
   20   2HB   LYS   5           HB3      LYS   5  -0.894  -8.987 -12.571
   21   1HG   LYS   5           HG2      LYS   5  -2.148 -10.928 -12.718
   22   2HG   LYS   5           HG3      LYS   5  -2.586 -10.694 -14.413
   23   1HD   LYS   5           HD2      LYS   5   0.312 -11.183 -13.721
   24   2HD   LYS   5           HD3      LYS   5  -0.812 -12.548 -13.733
   25   1HE   LYS   5           HE2      LYS   5  -1.377 -12.296 -16.011
   26   2HE   LYS   5           HE3      LYS   5  -0.740 -10.649 -16.115
   27   1HZ   LYS   5           HZ1      LYS   5   1.439 -11.464 -16.049
   28   2HZ   LYS   5           HZ2      LYS   5   0.975 -13.000 -15.674
   29   3HZ   LYS   5           HZ3      LYS   5   0.639 -12.375 -17.156
   30    H    TYR   6           H        TYR   6  -4.388  -9.100 -12.775
   31    HA   TYR   6           HA       TYR   6  -4.661  -6.758 -11.000
   32   1HB   TYR   6           HB2      TYR   6  -6.822  -8.625 -12.010
   33   2HB   TYR   6           HB3      TYR   6  -6.972  -7.182 -11.011
   34    HD1  TYR   6           HD1      TYR   6  -7.067  -4.980 -11.996
   35    HD2  TYR   6           HD2      TYR   6  -6.235  -8.428 -14.435
   36    HE1  TYR   6           HE1      TYR   6  -7.263  -3.583 -14.032
   37    HE2  TYR   6           HE2      TYR   6  -6.412  -7.025 -16.475
   38    HH   TYR   6           HH       TYR   6  -7.018  -3.505 -16.300
   39    H    TYR   7           H        TYR   7  -5.422  -7.241  -8.860
   40    HA   TYR   7           HA       TYR   7  -5.060 -10.092  -8.015
   41   1HB   TYR   7           HB2      TYR   7  -4.151  -7.664  -6.462
   42   2HB   TYR   7           HB3      TYR   7  -3.897  -9.360  -6.066
   43    HD1  TYR   7           HD1      TYR   7  -2.417 -10.760  -7.666
   44    HD2  TYR   7           HD2      TYR   7  -2.649  -6.463  -7.875
   45    HE1  TYR   7           HE1      TYR   7  -0.309 -10.705  -8.965
   46    HE2  TYR   7           HE2      TYR   7  -0.542  -6.413  -9.162
   47    HH   TYR   7           HH       TYR   7   1.396  -9.336  -9.768
   48    H    THR   8           H        THR   8  -6.567 -10.827  -6.565
   49    HA   THR   8           HA       THR   8  -9.036  -9.301  -6.300
   50    HB   THR   8           HB       THR   8  -9.843 -11.281  -5.168
   51    HG1  THR   8           HG1      THR   8  -7.680 -12.940  -5.268
   52   1HG2  THR   8          HG21      THR   8  -8.145 -12.219  -7.524
   53   2HG2  THR   8          HG22      THR   8  -9.676 -12.899  -6.935
   54   3HG2  THR   8          HG23      THR   8  -9.652 -11.290  -7.669
   55    H    LEU   9           H        LEU   9  -9.925  -8.637  -4.239
   56    HA   LEU   9           HA       LEU   9  -8.218  -7.429  -2.404
   57   1HB   LEU   9           HB2      LEU   9 -10.900  -7.590  -2.723
   58   2HB   LEU   9           HB3      LEU   9 -10.760  -8.602  -1.318
   59    HG   LEU   9           HG       LEU   9  -9.614  -5.764  -1.521
   60   1HD1  LEU   9          HD11      LEU   9 -12.284  -6.778  -0.623
   61   2HD1  LEU   9          HD12      LEU   9 -11.539  -5.463   0.310
   62   3HD1  LEU   9          HD13      LEU   9 -11.825  -5.257  -1.412
   63   1HD2  LEU   9          HD21      LEU   9  -9.769  -7.731   0.794
   64   2HD2  LEU   9          HD22      LEU   9  -8.322  -6.967   0.091
   65   3HD2  LEU   9          HD23      LEU   9  -9.465  -5.994   1.003
   66    H    GLU  10           H        GLU  10  -9.580 -10.696  -2.382
   67    HA   GLU  10           HA       GLU  10  -8.532 -11.688   0.010
   68   1HB   GLU  10           HB2      GLU  10 -10.105 -12.849  -1.612
   69   2HB   GLU  10           HB3      GLU  10  -8.688 -13.323  -2.537
   70   1HG   GLU  10           HG2      GLU  10  -9.265 -15.145  -1.064
   71   2HG   GLU  10           HG3      GLU  10  -7.756 -14.442  -0.481
   72    H    GLU  11           H        GLU  11  -7.001 -12.086  -3.233
   73    HA   GLU  11           HA       GLU  11  -4.596 -13.197  -2.333
   74   1HB   GLU  11           HB2      GLU  11  -5.524 -11.849  -4.808
   75   2HB   GLU  11           HB3      GLU  11  -3.821 -11.582  -4.492
   76   1HG   GLU  11           HG2      GLU  11  -4.098 -13.604  -5.840
   77   2HG   GLU  11           HG3      GLU  11  -3.455 -14.023  -4.247
   78    H    ILE  12           H        ILE  12  -5.391  -9.747  -2.756
   79    HA   ILE  12           HA       ILE  12  -2.842  -8.779  -1.900
   80    HB   ILE  12           HB       ILE  12  -5.576  -7.473  -1.740
   81   1HG1  ILE  12          HG12      ILE  12  -3.493  -7.115  -3.952
   82   2HG1  ILE  12          HG13      ILE  12  -4.728  -8.338  -4.081
   83   1HG2  ILE  12          HG21      ILE  12  -2.945  -6.006  -2.079
   84   2HG2  ILE  12          HG22      ILE  12  -4.514  -5.373  -1.567
   85   3HG2  ILE  12          HG23      ILE  12  -3.561  -6.364  -0.461
   86   1HD1  ILE  12          HD11      ILE  12  -5.238  -5.386  -3.803
   87   2HD1  ILE  12          HD12      ILE  12  -5.504  -6.377  -5.242
   88   3HD1  ILE  12          HD13      ILE  12  -6.502  -6.648  -3.823
   89    H    GLN  13           H        GLN  13  -5.838  -9.526  -0.094
   90    HA   GLN  13           HA       GLN  13  -5.087  -8.724   2.476
   91   1HB   GLN  13           HB2      GLN  13  -7.184 -10.395   1.310
   92   2HB   GLN  13           HB3      GLN  13  -6.664 -11.019   2.855
   93   1HG   GLN  13           HG2      GLN  13  -7.369  -8.085   2.428
   94   2HG   GLN  13           HG3      GLN  13  -8.569  -9.320   2.825
   95   1HE2  GLN  13          HE21      GLN  13  -8.839  -7.744   4.735
   96   2HE2  GLN  13          HE22      GLN  13  -7.853  -8.113   6.141
   97    H    LYS  14           H        LYS  14  -4.483 -11.861   0.858
   98    HA   LYS  14           HA       LYS  14  -3.291 -13.186   3.036
   99   1HB   LYS  14           HB2      LYS  14  -2.679 -13.349   0.063
  100   2HB   LYS  14           HB3      LYS  14  -1.956 -14.412   1.269
  101   1HG   LYS  14           HG2      LYS  14  -4.133 -15.261   1.936
  102   2HG   LYS  14           HG3      LYS  14  -4.968 -14.144   0.845
  103   1HD   LYS  14           HD2      LYS  14  -4.104 -15.162  -1.115
  104   2HD   LYS  14           HD3      LYS  14  -2.891 -16.092  -0.244
  105   1HE   LYS  14           HE2      LYS  14  -5.907 -16.520   0.093
  106   2HE   LYS  14           HE3      LYS  14  -4.937 -17.338  -1.138
  107   1HZ   LYS  14           HZ1      LYS  14  -3.534 -18.175   0.687
  108   2HZ   LYS  14           HZ2      LYS  14  -4.628 -17.591   1.774
  109   3HZ   LYS  14           HZ3      LYS  14  -5.072 -18.751   0.696
  110    H    HIS  15           H        HIS  15  -2.013 -10.495   1.195
  111    HA   HIS  15           HA       HIS  15   0.749 -10.866   2.247
  112   1HB   HIS  15           HB2      HIS  15  -0.425  -8.833   0.328
  113   2HB   HIS  15           HB3      HIS  15   1.229  -8.825   0.914
  114    HD1  HIS  15           HD1      HIS  15   2.521  -9.397  -1.239
  115    HD2  HIS  15           HD2      HIS  15  -0.769 -11.920  -0.525
  116    HE1  HIS  15           HE1      HIS  15   2.600 -11.241  -3.000
  117    H    ASN  16           H        ASN  16  -0.376 -10.753   4.412
  118    HA   ASN  16           HA       ASN  16  -0.234  -7.955   5.436
  119   1HB   ASN  16           HB2      ASN  16  -2.195  -8.123   6.719
  120   2HB   ASN  16           HB3      ASN  16  -2.659  -8.620   5.099
  121   1HD2  ASN  16          HD21      ASN  16  -2.566 -11.099   4.780
  122   2HD2  ASN  16          HD22      ASN  16  -3.021 -12.147   6.098
  123    H    ASN  17           H        ASN  17   1.986  -9.360   5.666
  124    HA   ASN  17           HA       ASN  17   1.925 -10.507   8.465
  125   1HB   ASN  17           HB2      ASN  17   2.688 -11.858   5.977
  126   2HB   ASN  17           HB3      ASN  17   4.057 -11.753   7.076
  127   1HD2  ASN  17          HD21      ASN  17   4.177 -13.871   7.884
  128   2HD2  ASN  17          HD22      ASN  17   2.827 -14.632   8.704
  129    H    SER  18           H        SER  18   4.334 -10.733   9.240
  130    HA   SER  18           HA       SER  18   5.445  -8.022   9.287
  131   1HB   SER  18           HB2      SER  18   6.435 -10.648  10.475
  132   2HB   SER  18           HB3      SER  18   7.158  -9.057  10.748
  133    HG   SER  18           HG       SER  18   4.430  -9.651  11.294
  134    H    LYS  19           H        LYS  19   5.427  -8.398   6.768
  135    HA   LYS  19           HA       LYS  19   7.897  -7.916   5.775
  136   1HB   LYS  19           HB2      LYS  19   7.338 -10.852   5.855
  137   2HB   LYS  19           HB3      LYS  19   7.598 -10.225   4.234
  138   1HG   LYS  19           HG2      LYS  19   9.715  -9.146   4.965
  139   2HG   LYS  19           HG3      LYS  19   9.515  -9.882   6.563
  140   1HD   LYS  19           HD2      LYS  19   9.453 -12.147   5.441
  141   2HD   LYS  19           HD3      LYS  19   9.807 -11.337   3.897
  142   1HE   LYS  19           HE2      LYS  19  11.910 -10.386   4.946
  143   2HE   LYS  19           HE3      LYS  19  11.555 -11.306   6.417
  144   1HZ   LYS  19           HZ1      LYS  19  12.082 -12.464   3.758
  145   2HZ   LYS  19           HZ2      LYS  19  13.126 -12.434   5.028
  146   3HZ   LYS  19           HZ3      LYS  19  11.748 -13.324   5.123
  147    H    SER  20           H        SER  20   5.411 -10.105   4.381
  148    HA   SER  20           HA       SER  20   4.995  -8.522   2.142
  149   1HB   SER  20           HB2      SER  20   3.108 -10.588   3.312
  150   2HB   SER  20           HB3      SER  20   3.248 -10.075   1.614
  151    HG   SER  20           HG       SER  20   4.477 -11.952   1.929
  152    H    THR  21           H        THR  21   4.159  -6.555   2.064
  153    HA   THR  21           HA       THR  21   1.583  -5.938   3.440
  154    HB   THR  21           HB       THR  21   4.162  -4.339   3.507
  155    HG1  THR  21           HG1      THR  21   2.469  -5.634   5.302
  156   1HG2  THR  21          HG21      THR  21   2.785  -2.560   3.032
  157   2HG2  THR  21          HG22      THR  21   1.335  -3.330   3.678
  158   3HG2  THR  21          HG23      THR  21   2.553  -2.673   4.779
  159    H    TRP  22           H        TRP  22   0.381  -6.138   1.644
  160    HA   TRP  22           HA       TRP  22   0.879  -4.201  -0.585
  161   1HB   TRP  22           HB2      TRP  22  -0.712  -6.795  -0.470
  162   2HB   TRP  22           HB3      TRP  22  -0.778  -5.623  -1.769
  163    HD1  TRP  22           HD1      TRP  22   2.774  -6.013  -0.821
  164    HE1  TRP  22           HE1      TRP  22   3.982  -7.274  -2.623
  165    HE3  TRP  22           HE3      TRP  22  -1.296  -7.845  -3.285
  166    HZ2  TRP  22           HZ2      TRP  22   3.267  -8.913  -4.954
  167    HZ3  TRP  22           HZ3      TRP  22  -1.031  -9.326  -5.223
  168    HH2  TRP  22           HH2      TRP  22   1.255  -9.799  -6.141
  169    H    LEU  23           H        LEU  23  -1.292  -3.367  -1.432
  170    HA   LEU  23           HA       LEU  23  -3.593  -3.329   0.192
  171   1HB   LEU  23           HB2      LEU  23  -3.345  -0.899   0.979
  172   2HB   LEU  23           HB3      LEU  23  -2.516  -2.148   1.851
  173    HG   LEU  23           HG       LEU  23  -0.424  -1.550   0.340
  174   1HD1  LEU  23          HD11      LEU  23  -0.437   0.864  -0.291
  175   2HD1  LEU  23          HD12      LEU  23  -1.644  -0.036  -1.209
  176   3HD1  LEU  23          HD13      LEU  23  -2.129   0.935   0.206
  177   1HD2  LEU  23          HD21      LEU  23  -1.531  -0.090   2.716
  178   2HD2  LEU  23          HD22      LEU  23  -0.145  -1.198   2.585
  179   3HD2  LEU  23          HD23      LEU  23  -0.016   0.451   1.954
  180    H    ILE  24           H        ILE  24  -4.960  -1.301  -0.489
  181    HA   ILE  24           HA       ILE  24  -4.704  -1.023  -3.443
  182    HB   ILE  24           HB       ILE  24  -7.187  -1.530  -1.791
  183   1HG1  ILE  24          HG12      ILE  24  -6.026  -3.239  -4.030
  184   2HG1  ILE  24          HG13      ILE  24  -5.548  -3.490  -2.352
  185   1HG2  ILE  24          HG21      ILE  24  -7.666  -0.006  -3.703
  186   2HG2  ILE  24          HG22      ILE  24  -6.854  -1.138  -4.804
  187   3HG2  ILE  24          HG23      ILE  24  -8.361  -1.598  -3.989
  188   1HD1  ILE  24          HD11      ILE  24  -8.290  -3.842  -3.520
  189   2HD1  ILE  24          HD12      ILE  24  -7.327  -5.003  -2.594
  190   3HD1  ILE  24          HD13      ILE  24  -8.074  -3.620  -1.800
  191    H    LEU  25           H        LEU  25  -4.419   1.039  -3.927
  192    HA   LEU  25           HA       LEU  25  -5.775   3.214  -2.346
  193   1HB   LEU  25           HB2      LEU  25  -3.031   3.000  -3.535
  194   2HB   LEU  25           HB3      LEU  25  -3.836   4.557  -3.403
  195    HG   LEU  25           HG       LEU  25  -3.521   4.826  -1.284
  196   1HD1  LEU  25          HD11      LEU  25  -3.648   1.861  -0.932
  197   2HD1  LEU  25          HD12      LEU  25  -3.265   2.998   0.399
  198   3HD1  LEU  25          HD13      LEU  25  -4.819   3.095  -0.444
  199   1HD2  LEU  25          HD21      LEU  25  -1.313   4.484  -2.328
  200   2HD2  LEU  25          HD22      LEU  25  -1.266   4.029  -0.617
  201   3HD2  LEU  25          HD23      LEU  25  -1.319   2.771  -1.855
  202    H    HIS  26           H        HIS  26  -7.586   3.352  -3.554
  203    HA   HIS  26           HA       HIS  26  -8.919   3.996  -5.246
  204   1HB   HIS  26           HB2      HIS  26  -6.536   5.119  -6.726
  205   2HB   HIS  26           HB3      HIS  26  -8.229   5.584  -6.858
  206    HD1  HIS  26           HD1      HIS  26  -9.147   7.223  -4.841
  207    HD2  HIS  26           HD2      HIS  26  -5.117   6.051  -4.713
  208    HE1  HIS  26           HE1      HIS  26  -8.004   8.737  -3.129
  209    H    TYR  27           H        TYR  27  -8.508   1.440  -5.295
  210    HA   TYR  27           HA       TYR  27  -8.648  -0.460  -6.505
  211   1HB   TYR  27           HB2      TYR  27  -9.096   1.324  -8.917
  212   2HB   TYR  27           HB3      TYR  27  -9.619  -0.335  -8.716
  213    HD1  TYR  27           HD1      TYR  27 -10.682   0.099  -5.734
  214    HD2  TYR  27           HD2      TYR  27 -11.339   2.015  -9.549
  215    HE1  TYR  27           HE1      TYR  27 -12.960   0.711  -5.042
  216    HE2  TYR  27           HE2      TYR  27 -13.676   2.492  -8.870
  217    HH   TYR  27           HH       TYR  27 -15.032   2.875  -6.986
  218    H    LYS  28           H        LYS  28  -5.957   0.914  -6.308
  219    HA   LYS  28           HA       LYS  28  -4.583  -0.597  -8.477
  220   1HB   LYS  28           HB2      LYS  28  -4.030   2.200  -7.454
  221   2HB   LYS  28           HB3      LYS  28  -2.858   1.238  -8.380
  222   1HG   LYS  28           HG2      LYS  28  -4.392   1.028 -10.237
  223   2HG   LYS  28           HG3      LYS  28  -5.696   1.823  -9.328
  224   1HD   LYS  28           HD2      LYS  28  -4.507   3.896  -9.275
  225   2HD   LYS  28           HD3      LYS  28  -3.078   3.180 -10.064
  226   1HE   LYS  28           HE2      LYS  28  -4.102   2.976 -12.149
  227   2HE   LYS  28           HE3      LYS  28  -5.712   2.762 -11.476
  228   1HZ   LYS  28           HZ1      LYS  28  -4.718   5.054 -12.519
  229   2HZ   LYS  28           HZ2      LYS  28  -6.143   4.841 -11.726
  230   3HZ   LYS  28           HZ3      LYS  28  -4.816   5.347 -10.896
  231    H    VAL  29           H        VAL  29  -2.959  -1.919  -7.799
  232    HA   VAL  29           HA       VAL  29  -2.730  -2.132  -4.875
  233    HB   VAL  29           HB       VAL  29  -1.773  -4.138  -6.915
  234   1HG1  VAL  29          HG11      VAL  29  -2.709  -4.450  -4.019
  235   2HG1  VAL  29          HG12      VAL  29  -1.919  -5.676  -5.032
  236   3HG1  VAL  29          HG13      VAL  29  -1.011  -4.270  -4.457
  237   1HG2  VAL  29          HG21      VAL  29  -3.916  -5.310  -6.449
  238   2HG2  VAL  29          HG22      VAL  29  -4.510  -3.842  -5.645
  239   3HG2  VAL  29          HG23      VAL  29  -4.109  -3.822  -7.377
  240    H    TYR  30           H        TYR  30  -0.890  -1.806  -3.813
  241    HA   TYR  30           HA       TYR  30   1.592  -1.053  -5.316
  242   1HB   TYR  30           HB2      TYR  30   0.271   0.171  -2.864
  243   2HB   TYR  30           HB3      TYR  30   1.885   0.583  -3.402
  244    HD1  TYR  30           HD1      TYR  30  -1.691   1.086  -3.941
  245    HD2  TYR  30           HD2      TYR  30   2.120   1.399  -5.870
  246    HE1  TYR  30           HE1      TYR  30  -2.662   2.640  -5.624
  247    HE2  TYR  30           HE2      TYR  30   1.108   2.918  -7.582
  248    HH   TYR  30           HH       TYR  30  -2.181   4.219  -7.201
  249    H    ASP  31           H        ASP  31   3.226  -2.453  -4.840
  250    HA   ASP  31           HA       ASP  31   3.106  -4.009  -2.312
  251   1HB   ASP  31           HB2      ASP  31   3.948  -5.253  -4.239
  252   2HB   ASP  31           HB3      ASP  31   5.193  -4.017  -4.525
  253    H    LEU  32           H        LEU  32   4.036  -3.193  -0.520
  254    HA   LEU  32           HA       LEU  32   6.204  -1.189  -0.809
  255   1HB   LEU  32           HB2      LEU  32   4.076  -1.154   1.286
  256   2HB   LEU  32           HB3      LEU  32   5.231   0.108   1.055
  257    HG   LEU  32           HG       LEU  32   3.209  -0.521  -1.144
  258   1HD1  LEU  32          HD11      LEU  32   2.825   1.367   1.187
  259   2HD1  LEU  32          HD12      LEU  32   1.769   1.170  -0.235
  260   3HD1  LEU  32          HD13      LEU  32   1.977  -0.170   0.892
  261   1HD2  LEU  32          HD21      LEU  32   3.870   1.492  -2.079
  262   2HD2  LEU  32          HD22      LEU  32   4.460   2.146  -0.535
  263   3HD2  LEU  32          HD23      LEU  32   5.402   0.930  -1.421
  264    H    THR  33           H        THR  33   5.840  -4.251  -0.295
  265    HA   THR  33           HA       THR  33   6.415  -4.911   2.339
  266    HB   THR  33           HB       THR  33   7.233  -6.155  -0.298
  267    HG1  THR  33           HG1      THR  33   5.147  -6.136  -0.151
  268   1HG2  THR  33          HG21      THR  33   7.801  -7.091   2.479
  269   2HG2  THR  33          HG22      THR  33   7.182  -8.288   1.317
  270   3HG2  THR  33          HG23      THR  33   8.659  -7.380   0.965
  271    H    LYS  34           H        LYS  34   8.782  -4.114  -0.250
  272    HA   LYS  34           HA       LYS  34  10.962  -4.034   1.784
  273   1HB   LYS  34           HB2      LYS  34  10.843  -4.423  -1.167
  274   2HB   LYS  34           HB3      LYS  34  12.147  -3.376  -0.612
  275   1HG   LYS  34           HG2      LYS  34  12.797  -5.143   1.072
  276   2HG   LYS  34           HG3      LYS  34  11.612  -6.218   0.297
  277   1HD   LYS  34           HD2      LYS  34  12.858  -5.687  -1.913
  278   2HD   LYS  34           HD3      LYS  34  14.094  -4.904  -0.904
  279   1HE   LYS  34           HE2      LYS  34  14.375  -7.093   0.347
  280   2HE   LYS  34           HE3      LYS  34  13.214  -7.835  -0.770
  281   1HZ   LYS  34           HZ1      LYS  34  15.827  -6.681  -1.496
  282   2HZ   LYS  34           HZ2      LYS  34  15.437  -8.277  -1.463
  283   3HZ   LYS  34           HZ3      LYS  34  14.738  -7.286  -2.573
  284    H    PHE  35           H        PHE  35   8.598  -2.008   1.294
  285    HA   PHE  35           HA       PHE  35  10.284   0.458   1.182
  286   1HB   PHE  35           HB2      PHE  35   8.149   0.040  -0.406
  287   2HB   PHE  35           HB3      PHE  35   7.318   0.308   1.063
  288    HD1  PHE  35           HD1      PHE  35  10.392   2.134  -0.196
  289    HD2  PHE  35           HD2      PHE  35   6.207   2.363   0.846
  290    HE1  PHE  35           HE1      PHE  35  10.470   4.562  -0.439
  291    HE2  PHE  35           HE2      PHE  35   6.229   4.766   0.286
  292    HZ   PHE  35           HZ       PHE  35   8.393   5.914  -0.202
  293    H    LEU  36           H        LEU  36   8.279  -1.618   3.253
  294    HA   LEU  36           HA       LEU  36   7.272   0.061   5.127
  295   1HB   LEU  36           HB2      LEU  36   8.877  -2.483   5.595
  296   2HB   LEU  36           HB3      LEU  36   7.903  -1.714   6.835
  297    HG   LEU  36           HG       LEU  36   6.767  -2.749   4.198
  298   1HD1  LEU  36          HD11      LEU  36   6.905  -3.979   6.969
  299   2HD1  LEU  36          HD12      LEU  36   5.897  -4.591   5.633
  300   3HD1  LEU  36          HD13      LEU  36   7.665  -4.562   5.467
  301   1HD2  LEU  36          HD21      LEU  36   5.319  -1.064   5.040
  302   2HD2  LEU  36          HD22      LEU  36   4.624  -2.593   5.596
  303   3HD2  LEU  36          HD23      LEU  36   5.529  -1.582   6.728
  304    H    GLU  37           H        GLU  37  10.662  -1.062   5.249
  305    HA   GLU  37           HA       GLU  37  11.392   0.586   7.449
  306   1HB   GLU  37           HB2      GLU  37  12.614  -1.475   5.974
  307   2HB   GLU  37           HB3      GLU  37  13.612  -0.065   5.603
  308   1HG   GLU  37           HG2      GLU  37  13.786   0.356   8.091
  309   2HG   GLU  37           HG3      GLU  37  12.901  -1.160   8.357
  310    H    GLU  38           H        GLU  38  11.518   1.132   3.946
  311    HA   GLU  38           HA       GLU  38  13.100   3.511   3.917
  312   1HB   GLU  38           HB2      GLU  38  11.010   2.400   2.034
  313   2HB   GLU  38           HB3      GLU  38  12.045   3.713   1.617
  314   1HG   GLU  38           HG2      GLU  38  13.897   1.803   2.449
  315   2HG   GLU  38           HG3      GLU  38  12.650   0.826   1.665
  316    H    HIS  39           HN       HIS  39   9.615   2.905   4.120
  317    HA   HIS  39           HA       HIS  39   8.773   5.563   3.673
  318   1HB   HIS  39           HB2      HIS  39   7.430   3.563   3.217
  319   2HB   HIS  39           HB3      HIS  39   7.382   3.189   4.941
  320    HD1  HIS  39           HND      HIS  39   5.803   4.711   6.467
  321    HD2  HIS  39           HD       HIS  39   5.707   5.454   2.327
  322    HE1  HIS  39           HE       HIS  39   3.802   6.159   6.049
  323    HA   PRO  40           HA       PRO  40   9.821   6.991   7.753
  324   1HB   PRO  40           HB2      PRO  40   8.588   9.440   7.855
  325   2HB   PRO  40           HB3      PRO  40  10.008   9.080   6.835
  326   1HG   PRO  40           HG2      PRO  40   7.102   9.129   5.993
  327   2HG   PRO  40           HG3      PRO  40   8.506   9.856   5.163
  328   1HD   PRO  40           HD2      PRO  40   7.477   7.429   4.435
  329   2HD   PRO  40           HD3      PRO  40   9.232   7.769   4.345
  330    H    GLY  41           H        GLY  41   6.332   7.261   6.907
  331   1HA   GLY  41           HA1      GLY  41   5.297   7.254   9.574
  332   2HA   GLY  41           HA2      GLY  41   4.446   6.704   8.137
  333    H    GLY  42           H        GLY  42   5.390   5.661  11.051
  334   1HA   GLY  42           HA1      GLY  42   6.889   3.506  11.177
  335   2HA   GLY  42           HA2      GLY  42   5.340   3.575  12.026
  336    H    GLU  43           H        GLU  43   7.093   1.478  10.314
  337    HA   GLU  43           HA       GLU  43   5.588   0.429   8.254
  338   1HB   GLU  43           HB2      GLU  43   6.540  -1.753   8.874
  339   2HB   GLU  43           HB3      GLU  43   7.747  -0.466   8.764
  340   1HG   GLU  43           HG2      GLU  43   8.174  -0.466  11.065
  341   2HG   GLU  43           HG3      GLU  43   6.623  -1.201  11.490
  342    H    ALA  44           H        ALA  44   5.019   0.034  11.747
  343    HA   ALA  44           HA       ALA  44   2.997  -1.855  11.816
  344   1HB   ALA  44           HB1      ALA  44   3.869  -0.852  13.847
  345   2HB   ALA  44           HB2      ALA  44   3.217   0.743  13.396
  346   3HB   ALA  44           HB3      ALA  44   2.115  -0.595  13.785
  347    H    VAL  45           H        VAL  45   2.648   1.647  10.897
  348    HA   VAL  45           HA       VAL  45  -0.216   1.232  10.596
  349    HB   VAL  45           HB       VAL  45   0.934   3.472  11.228
  350   1HG1  VAL  45          HG11      VAL  45   1.106   5.055   9.400
  351   2HG1  VAL  45          HG12      VAL  45   2.279   3.765   9.133
  352   3HG1  VAL  45          HG13      VAL  45   0.776   3.804   8.198
  353   1HG2  VAL  45          HG21      VAL  45  -1.115   4.609  10.206
  354   2HG2  VAL  45          HG22      VAL  45  -1.496   3.045   9.460
  355   3HG2  VAL  45          HG23      VAL  45  -1.422   3.189  11.217
  356    H    LEU  46           H        LEU  46   2.688   1.509   8.212
  357    HA   LEU  46           HA       LEU  46   0.994   0.971   5.997
  358   1HB   LEU  46           HB2      LEU  46   3.878   0.510   6.655
  359   2HB   LEU  46           HB3      LEU  46   3.170  -0.367   5.288
  360    HG   LEU  46           HG       LEU  46   2.455   1.598   4.199
  361   1HD1  LEU  46          HD11      LEU  46   1.802   3.060   6.071
  362   2HD1  LEU  46          HD12      LEU  46   3.505   3.220   6.555
  363   3HD1  LEU  46          HD13      LEU  46   2.918   3.851   4.989
  364   1HD2  LEU  46          HD21      LEU  46   4.602   2.652   3.686
  365   2HD2  LEU  46          HD22      LEU  46   5.308   1.965   5.171
  366   3HD2  LEU  46          HD23      LEU  46   4.787   0.902   3.843
  367    H    ARG  47           H        ARG  47   1.962  -1.293   8.535
  368    HA   ARG  47           HA       ARG  47   1.220  -3.614   6.974
  369   1HB   ARG  47           HB2      ARG  47   2.896  -3.265   9.015
  370   2HB   ARG  47           HB3      ARG  47   1.496  -3.753   9.967
  371   1HG   ARG  47           HG2      ARG  47   2.753  -5.251   7.620
  372   2HG   ARG  47           HG3      ARG  47   3.081  -5.610   9.297
  373   1HD   ARG  47           HD2      ARG  47   0.189  -5.704   8.538
  374   2HD   ARG  47           HD3      ARG  47   1.219  -6.879   7.724
  375    HE   ARG  47           HE       ARG  47   1.982  -7.171  10.303
  376   1HH1  ARG  47          HH11      ARG  47  -0.473  -9.455  11.372
  377   2HH1  ARG  47          HH12      ARG  47   1.149  -8.885  11.608
  378   1HH2  ARG  47          HH21      ARG  47  -1.769  -8.575   9.590
  379   2HH2  ARG  47          HH22      ARG  47  -1.233  -7.123   8.821
  380    H    ALA  48           H        ALA  48  -0.209  -1.747   9.692
  381    HA   ALA  48           HA       ALA  48  -2.457  -3.450  10.088
  382   1HB   ALA  48           HB1      ALA  48  -1.615  -1.833  11.730
  383   2HB   ALA  48           HB2      ALA  48  -2.084  -0.488  10.670
  384   3HB   ALA  48           HB3      ALA  48  -3.338  -1.545  11.381
  385    H    GLN  49           H        GLN  49  -1.968  -0.573   7.992
  386    HA   GLN  49           HA       GLN  49  -4.673  -0.756   6.861
  387   1HB   GLN  49           HB2      GLN  49  -2.141   0.825   6.383
  388   2HB   GLN  49           HB3      GLN  49  -3.531   1.005   5.334
  389   1HG   GLN  49           HG2      GLN  49  -3.591   1.521   8.340
  390   2HG   GLN  49           HG3      GLN  49  -3.573   2.754   7.071
  391   1HE2  GLN  49          HE21      GLN  49  -5.711   1.235   9.128
  392   2HE2  GLN  49          HE22      GLN  49  -7.141   1.487   8.140
  393    H    ALA  50           H        ALA  50  -1.849  -2.611   6.462
  394    HA   ALA  50           HA       ALA  50  -1.929  -3.007   3.654
  395   1HB   ALA  50           HB1      ALA  50  -0.617  -4.931   3.950
  396   2HB   ALA  50           HB2      ALA  50  -0.101  -3.823   5.222
  397   3HB   ALA  50           HB3      ALA  50  -1.176  -5.187   5.602
  398    H    GLY  51           H        GLY  51  -2.823  -4.852   2.543
  399   1HA   GLY  51           HA1      GLY  51  -3.967  -6.955   2.789
  400   2HA   GLY  51           HA2      GLY  51  -5.177  -6.214   3.855
  401    H    GLY  52           H        GLY  52  -5.380  -3.726   2.346
  402   1HA   GLY  52           HA1      GLY  52  -5.850  -3.263  -0.081
  403   2HA   GLY  52           HA2      GLY  52  -6.830  -4.724  -0.102
  404    H    ASP  53           H        ASP  53  -6.545  -1.906   2.144
  405    HA   ASP  53           HA       ASP  53  -8.905  -0.703   1.154
  406   1HB   ASP  53           HB2      ASP  53 -10.040  -2.545   2.470
  407   2HB   ASP  53           HB3      ASP  53  -9.242  -1.941   3.927
  408    H    ALA  54           H        ALA  54  -6.870   0.662   1.096
  409    HA   ALA  54           HA       ALA  54  -6.673   2.259   3.625
  410   1HB   ALA  54           HB1      ALA  54  -4.255   2.375   3.369
  411   2HB   ALA  54           HB2      ALA  54  -4.781   0.683   3.505
  412   3HB   ALA  54           HB3      ALA  54  -4.322   1.338   1.922
  413    H    THR  55           H        THR  55  -7.960   2.492   0.796
  414    HA   THR  55           HA       THR  55  -6.515   4.563  -0.565
  415    HB   THR  55           HB       THR  55  -9.487   3.865  -0.615
  416    HG1  THR  55           HG1      THR  55  -7.630   2.297  -1.307
  417   1HG2  THR  55          HG21      THR  55  -9.047   6.098  -1.597
  418   2HG2  THR  55          HG22      THR  55  -7.687   5.409  -2.513
  419   3HG2  THR  55          HG23      THR  55  -9.359   4.918  -2.885
  420    H    ALA  56           H        ALA  56  -9.353   4.745   1.636
  421    HA   ALA  56           HA       ALA  56  -9.415   7.574   1.760
  422   1HB   ALA  56           HB1      ALA  56 -10.371   5.624   3.899
  423   2HB   ALA  56           HB2      ALA  56 -10.943   7.278   3.595
  424   3HB   ALA  56           HB3      ALA  56 -11.270   5.999   2.411
  425    H    ASN  57           H        ASN  57  -7.765   5.161   3.827
  426    HA   ASN  57           HA       ASN  57  -6.809   7.028   5.748
  427   1HB   ASN  57           HB2      ASN  57  -6.526   4.219   5.199
  428   2HB   ASN  57           HB3      ASN  57  -4.908   4.866   5.458
  429   1HD2  ASN  57          HD21      ASN  57  -4.571   6.202   7.497
  430   2HD2  ASN  57          HD22      ASN  57  -5.528   5.739   8.896
  431    H    PHE  58           H        PHE  58  -5.218   5.694   2.825
  432    HA   PHE  58           HA       PHE  58  -2.774   7.073   2.962
  433   1HB   PHE  58           HB2      PHE  58  -3.169   5.277   1.399
  434   2HB   PHE  58           HB3      PHE  58  -4.478   6.151   0.623
  435    HD1  PHE  58           HD1      PHE  58  -4.077   7.708  -1.162
  436    HD2  PHE  58           HD2      PHE  58  -0.798   6.193   1.175
  437    HE1  PHE  58           HE1      PHE  58  -2.478   8.595  -2.829
  438    HE2  PHE  58           HE2      PHE  58   0.809   7.064  -0.511
  439    HZ   PHE  58           HZ       PHE  58  -0.027   8.258  -2.518
  440    H    GLU  59           H        GLU  59  -5.824   8.068   1.265
  441    HA   GLU  59           HA       GLU  59  -4.657  10.517   0.395
  442   1HB   GLU  59           HB2      GLU  59  -6.748  11.082  -0.521
  443   2HB   GLU  59           HB3      GLU  59  -6.414   9.375  -0.802
  444   1HG   GLU  59           HG2      GLU  59  -8.641   9.272  -0.224
  445   2HG   GLU  59           HG3      GLU  59  -7.858   8.993   1.330
  446    H    ALA  60           H        ALA  60  -6.813   9.727   3.156
  447    HA   ALA  60           HA       ALA  60  -7.088  12.255   4.254
  448   1HB   ALA  60           HB1      ALA  60  -7.394  11.071   6.423
  449   2HB   ALA  60           HB2      ALA  60  -8.300  10.323   5.094
  450   3HB   ALA  60           HB3      ALA  60  -6.797   9.574   5.679
  451    H    VAL  61           H        VAL  61  -4.379   9.933   4.810
  452    HA   VAL  61           HA       VAL  61  -2.888  11.551   6.620
  453    HB   VAL  61           HB       VAL  61  -2.031   9.520   4.528
  454   1HG1  VAL  61          HG11      VAL  61  -0.293  10.738   6.717
  455   2HG1  VAL  61          HG12      VAL  61   0.129   9.455   5.566
  456   3HG1  VAL  61          HG13      VAL  61  -0.106  11.082   4.986
  457   1HG2  VAL  61          HG21      VAL  61  -3.370   8.775   6.618
  458   2HG2  VAL  61          HG22      VAL  61  -1.799   7.998   6.359
  459   3HG2  VAL  61          HG23      VAL  61  -1.978   9.288   7.566
  460    H    GLY  62           H        GLY  62  -2.738  11.356   3.032
  461   1HA   GLY  62           HA1      GLY  62  -2.512  13.288   1.657
  462   2HA   GLY  62           HA2      GLY  62  -1.689  14.171   2.948
  463    H    HIS  63           HN       HIS  63  -0.968  13.338   0.086
  464    HA   HIS  63           HA       HIS  63   1.801  12.442   0.516
  465   1HB   HIS  63           HB2      HIS  63  -0.385  10.821  -0.874
  466   2HB   HIS  63           HB3      HIS  63   1.325  10.599  -1.214
  467    HD1  HIS  63           HND      HIS  63  -1.224   9.727   1.570
  468    HD2  HIS  63           HD       HIS  63   2.847   9.448   0.574
  469    HE1  HIS  63           HE       HIS  63  -0.194   8.096   3.213
  470    H    SER  64           H        SER  64   2.826  14.049  -0.645
  471    HA   SER  64           HA       SER  64   1.510  15.710  -2.503
  472   1HB   SER  64           HB2      SER  64   4.501  15.300  -2.059
  473   2HB   SER  64           HB3      SER  64   3.730  16.749  -2.733
  474    HG   SER  64           HG       SER  64   2.577  16.895  -0.690
  475    H    THR  65           H        THR  65   2.846  16.260  -4.720
  476    HA   THR  65           HA       THR  65   2.073  14.370  -6.634
  477    HB   THR  65           HB       THR  65   3.650  15.698  -8.100
  478    HG1  THR  65           HG1      THR  65   4.779  17.379  -7.102
  479   1HG2  THR  65          HG21      THR  65   2.120  17.674  -6.376
  480   2HG2  THR  65          HG22      THR  65   2.300  17.619  -8.139
  481   3HG2  THR  65          HG23      THR  65   1.233  16.463  -7.324
  482    H    ASP  66           H        ASP  66   5.382  15.049  -5.558
  483    HA   ASP  66           HA       ASP  66   6.741  13.028  -6.813
  484   1HB   ASP  66           HB2      ASP  66   7.384  14.908  -4.903
  485   2HB   ASP  66           HB3      ASP  66   7.485  13.454  -3.914
  486    H    ALA  67           H        ALA  67   5.031  12.716  -3.707
  487    HA   ALA  67           HA       ALA  67   5.596   9.940  -3.285
  488   1HB   ALA  67           HB1      ALA  67   4.825  11.537  -1.522
  489   2HB   ALA  67           HB2      ALA  67   3.221  11.543  -2.265
  490   3HB   ALA  67           HB3      ALA  67   3.868  10.040  -1.592
  491    H    ARG  68           H        ARG  68   2.868  11.643  -4.872
  492    HA   ARG  68           HA       ARG  68   1.227   9.343  -5.435
  493   1HB   ARG  68           HB2      ARG  68   1.388  12.109  -6.687
  494   2HB   ARG  68           HB3      ARG  68   0.182  10.908  -7.141
  495   1HG   ARG  68           HG2      ARG  68  -0.799  10.895  -4.953
  496   2HG   ARG  68           HG3      ARG  68   0.534  11.815  -4.266
  497   1HD   ARG  68           HD2      ARG  68  -1.259  13.378  -4.503
  498   2HD   ARG  68           HD3      ARG  68  -0.051  13.765  -5.701
  499    HE   ARG  68           HE       ARG  68  -1.515  13.322  -7.398
  500   1HH1  ARG  68          HH11      ARG  68  -4.870  12.233  -7.285
  501   2HH1  ARG  68          HH12      ARG  68  -3.653  12.999  -8.252
  502   1HH2  ARG  68          HH21      ARG  68  -4.366  11.579  -5.051
  503   2HH2  ARG  68          HH22      ARG  68  -2.762  11.877  -4.452
  504    H    GLU  69           H        GLU  69   4.038  10.747  -7.032
  505    HA   GLU  69           HA       GLU  69   3.754   9.055  -9.422
  506   1HB   GLU  69           HB2      GLU  69   5.622  11.132  -8.414
  507   2HB   GLU  69           HB3      GLU  69   6.236  10.036  -9.643
  508   1HG   GLU  69           HG2      GLU  69   3.559  11.462  -9.981
  509   2HG   GLU  69           HG3      GLU  69   5.088  12.237 -10.394
  510    H    LEU  70           H        LEU  70   5.814   9.197  -6.501
  511    HA   LEU  70           HA       LEU  70   7.357   6.967  -6.966
  512   1HB   LEU  70           HB2      LEU  70   7.641   8.603  -5.146
  513   2HB   LEU  70           HB3      LEU  70   6.216   7.926  -4.358
  514    HG   LEU  70           HG       LEU  70   7.366   6.453  -3.282
  515   1HD1  LEU  70          HD11      LEU  70   9.037   4.869  -4.262
  516   2HD1  LEU  70          HD12      LEU  70   7.357   4.834  -4.796
  517   3HD1  LEU  70          HD13      LEU  70   8.615   5.562  -5.843
  518   1HD2  LEU  70          HD21      LEU  70   8.952   8.306  -3.084
  519   2HD2  LEU  70          HD22      LEU  70   9.725   6.719  -2.936
  520   3HD2  LEU  70          HD23      LEU  70   9.882   7.639  -4.452
  521    H    SER  71           H        SER  71   4.190   7.057  -5.270
  522    HA   SER  71           HA       SER  71   3.692   4.362  -4.865
  523   1HB   SER  71           HB2      SER  71   1.350   4.807  -5.021
  524   2HB   SER  71           HB3      SER  71   2.160   6.194  -4.254
  525    HG   SER  71           HG       SER  71   1.093   6.005  -6.860
  526    H    LYS  72           H        LYS  72   3.195   6.068  -8.018
  527    HA   LYS  72           HA       LYS  72   2.257   3.773  -9.417
  528   1HB   LYS  72           HB2      LYS  72   3.763   6.200 -10.464
  529   2HB   LYS  72           HB3      LYS  72   2.995   4.964 -11.455
  530   1HG   LYS  72           HG2      LYS  72   0.814   5.459 -10.543
  531   2HG   LYS  72           HG3      LYS  72   1.480   6.632  -9.386
  532   1HD   LYS  72           HD2      LYS  72   2.043   8.188 -10.996
  533   2HD   LYS  72           HD3      LYS  72   2.165   6.995 -12.293
  534   1HE   LYS  72           HE2      LYS  72  -0.346   6.703 -12.194
  535   2HE   LYS  72           HE3      LYS  72  -0.407   8.049 -11.035
  536   1HZ   LYS  72           HZ1      LYS  72  -0.776   8.767 -13.317
  537   2HZ   LYS  72           HZ2      LYS  72   0.617   9.435 -12.720
  538   3HZ   LYS  72           HZ3      LYS  72   0.694   8.180 -13.770
  539    H    THR  73           H        THR  73   5.580   4.886  -8.706
  540    HA   THR  73           HA       THR  73   6.907   2.906 -10.325
  541    HB   THR  73           HB       THR  73   7.700   4.924  -8.292
  542    HG1  THR  73           HG1      THR  73   8.915   3.944 -10.630
  543   1HG2  THR  73          HG21      THR  73   9.486   2.505  -8.708
  544   2HG2  THR  73          HG22      THR  73   9.939   4.048  -7.955
  545   3HG2  THR  73          HG23      THR  73   8.735   3.018  -7.175
  546    H    PHE  74           H        PHE  74   5.262   2.699  -7.300
  547    HA   PHE  74           HA       PHE  74   6.311  -0.061  -6.798
  548   1HB   PHE  74           HB2      PHE  74   4.729   1.905  -5.100
  549   2HB   PHE  74           HB3      PHE  74   4.809   0.200  -4.700
  550    HD1  PHE  74           HD1      PHE  74   7.249  -0.887  -4.802
  551    HD2  PHE  74           HD2      PHE  74   6.193   3.142  -3.714
  552    HE1  PHE  74           HE1      PHE  74   9.349  -0.692  -3.507
  553    HE2  PHE  74           HE2      PHE  74   8.301   3.345  -2.442
  554    HZ   PHE  74           HZ       PHE  74   9.864   1.404  -2.299
  555    H    ILE  75           H        ILE  75   3.994   1.278  -8.757
  556    HA   ILE  75           HA       ILE  75   1.701  -0.205  -7.937
  557    HB   ILE  75           HB       ILE  75   1.986   1.699  -9.709
  558   1HG1  ILE  75          HG12      ILE  75  -0.082  -0.494  -9.670
  559   2HG1  ILE  75          HG13      ILE  75  -0.026   1.039  -8.764
  560   1HG2  ILE  75          HG21      ILE  75   1.834  -0.725 -11.522
  561   2HG2  ILE  75          HG22      ILE  75   1.852   0.990 -12.008
  562   3HG2  ILE  75          HG23      ILE  75   3.302   0.269 -11.321
  563   1HD1  ILE  75          HD11      ILE  75  -1.569   1.316 -10.546
  564   2HD1  ILE  75          HD12      ILE  75  -0.110   2.295 -10.870
  565   3HD1  ILE  75          HD13      ILE  75  -0.390   0.758 -11.746
  566    H    ILE  76           H        ILE  76   1.333  -2.343  -8.019
  567    HA   ILE  76           HA       ILE  76   3.192  -4.079  -9.638
  568    HB   ILE  76           HB       ILE  76   2.237  -5.907  -8.152
  569   1HG1  ILE  76          HG12      ILE  76   1.552  -3.547  -6.329
  570   2HG1  ILE  76          HG13      ILE  76   0.358  -4.450  -7.258
  571   1HG2  ILE  76          HG21      ILE  76   4.007  -5.514  -6.529
  572   2HG2  ILE  76          HG22      ILE  76   4.545  -4.866  -8.064
  573   3HG2  ILE  76          HG23      ILE  76   3.948  -3.761  -6.815
  574   1HD1  ILE  76          HD11      ILE  76   1.046  -5.010  -4.708
  575   2HD1  ILE  76          HD12      ILE  76   0.431  -6.229  -5.853
  576   3HD1  ILE  76          HD13      ILE  76   2.169  -6.081  -5.542
  577    H    GLY  77           H        GLY  77  -0.053  -2.850  -9.439
  578   1HA   GLY  77           HA1      GLY  77  -0.887  -3.533 -11.932
  579   2HA   GLY  77           HA2      GLY  77  -1.250  -4.983 -10.966
  580    H    GLU  78           H        GLU  78  -3.449  -4.623 -11.183
  581    HA   GLU  78           HA       GLU  78  -4.562  -2.267  -9.746
  582   1HB   GLU  78           HB2      GLU  78  -4.971  -3.154 -12.549
  583   2HB   GLU  78           HB3      GLU  78  -6.437  -2.768 -11.661
  584   1HG   GLU  78           HG2      GLU  78  -5.661  -0.592 -11.073
  585   2HG   GLU  78           HG3      GLU  78  -4.047  -0.902 -11.762
  586    H    LEU  79           H        LEU  79  -6.851  -2.501  -9.270
  587    HA   LEU  79           HA       LEU  79  -7.228  -4.910  -7.660
  588   1HB   LEU  79           HB2      LEU  79  -7.961  -2.772  -6.793
  589   2HB   LEU  79           HB3      LEU  79  -8.858  -2.466  -8.292
  590    HG   LEU  79           HG       LEU  79 -10.287  -4.540  -7.694
  591   1HD1  LEU  79          HD11      LEU  79  -8.466  -4.851  -5.590
  592   2HD1  LEU  79          HD12      LEU  79  -9.915  -4.117  -4.846
  593   3HD1  LEU  79          HD13      LEU  79 -10.044  -5.626  -5.740
  594   1HD2  LEU  79          HD21      LEU  79 -10.872  -2.101  -7.599
  595   2HD2  LEU  79          HD22      LEU  79 -11.817  -3.244  -6.656
  596   3HD2  LEU  79          HD23      LEU  79 -10.614  -2.211  -5.845
  597    H    HIS  80           H        HIS  80  -8.356  -6.655  -8.202
  598    HA   HIS  80           HA       HIS  80  -9.075  -7.358 -10.809
  599   1HB   HIS  80           HB2      HIS  80  -8.822  -8.748  -8.593
  600   2HB   HIS  80           HB3      HIS  80 -10.553  -8.519  -8.440
  601    HD1  HIS  80           HD1      HIS  80 -11.969 -10.148 -10.048
  602    HD2  HIS  80           HD2      HIS  80  -7.811 -10.159 -10.646
  603    HE1  HIS  80           HE1      HIS  80 -11.496 -12.011 -11.682
  604    HA   PRO  81           HA       PRO  81 -12.829  -5.092 -11.406
  605   1HB   PRO  81           HB2      PRO  81 -13.907  -6.423 -13.547
  606   2HB   PRO  81           HB3      PRO  81 -12.515  -5.304 -13.638
  607   1HG   PRO  81           HG2      PRO  81 -12.443  -8.334 -13.480
  608   2HG   PRO  81           HG3      PRO  81 -11.521  -7.271 -14.588
  609   1HD   PRO  81           HD2      PRO  81 -10.469  -8.298 -12.324
  610   2HD   PRO  81           HD3      PRO  81 -10.023  -6.661 -12.884
  611    H    ASP  82           H        ASP  82 -12.677  -8.402 -10.398
  612    HA   ASP  82           HA       ASP  82 -15.521  -8.909 -10.173
  613   1HB   ASP  82           HB2      ASP  82 -13.807 -10.704 -10.215
  614   2HB   ASP  82           HB3      ASP  82 -13.204 -10.132  -8.616
  615    H    ASP  83           H        ASP  83 -13.059  -7.377  -8.161
  616    HA   ASP  83           HA       ASP  83 -14.498  -7.309  -5.685
  617   1HB   ASP  83           HB2      ASP  83 -12.085  -7.085  -5.815
  618   2HB   ASP  83           HB3      ASP  83 -12.253  -5.609  -6.791
  619    H    ARG  84           H        ARG  84 -14.328  -5.137  -8.447
  620    HA   ARG  84           HA       ARG  84 -15.249  -2.774  -7.252
  621   1HB   ARG  84           HB2      ARG  84 -14.548  -3.645  -9.913
  622   2HB   ARG  84           HB3      ARG  84 -16.145  -2.918 -10.015
  623   1HG   ARG  84           HG2      ARG  84 -14.739  -1.137 -10.413
  624   2HG   ARG  84           HG3      ARG  84 -15.229  -0.936  -8.727
  625   1HD   ARG  84           HD2      ARG  84 -12.816  -0.577  -8.841
  626   2HD   ARG  84           HD3      ARG  84 -13.158  -2.064  -7.989
  627    HE   ARG  84           HE       ARG  84 -12.070  -3.294  -9.617
  628   1HH1  ARG  84          HH11      ARG  84 -10.538  -2.261 -12.611
  629   2HH1  ARG  84          HH12      ARG  84 -10.421  -3.386 -11.289
  630   1HH2  ARG  84          HH21      ARG  84 -11.877  -0.285 -12.362
  631   2HH2  ARG  84          HH22      ARG  84 -12.906  -0.179 -10.963
  632    HHA  HEM 201           HGM      HEM 201   4.771  10.841   5.136
  633    HHB  HEM 201           HDM      HEM 201   5.717   7.934  -0.563
  634    HHC  HEM 201           HAM      HEM 201   0.980   3.798   0.784
  635    HHD  HEM 201           HBM      HEM 201   0.328   6.421   6.646
  636   1HMA  HEM 201          HM81      HEM 201   6.480  10.084  -0.655
  637   2HMA  HEM 201          HM82      HEM 201   7.127  11.343   0.376
  638   3HMA  HEM 201          HM83      HEM 201   7.874   9.732   0.382
  639   1HAA  HEM 201          HAA1      HEM 201   6.744  11.770   3.973
  640   2HAA  HEM 201          HAA2      HEM 201   6.897  12.266   2.303
  641   1HBA  HEM 201          HBA1      HEM 201   5.031  13.213   4.231
  642   2HBA  HEM 201          HBA2      HEM 201   4.074  12.329   3.042
  643   1HMB  HEM 201          HM11      HEM 201   4.756   6.883  -2.643
  644   2HMB  HEM 201          HM12      HEM 201   5.806   5.592  -2.006
  645   3HMB  HEM 201          HM13      HEM 201   4.356   5.181  -2.917
  646    HAB  HEM 201          HT2A      HEM 201   2.384   2.946  -1.323
  647   1HBB  HEM 201          HV2C      HEM 201   1.010   5.359  -2.442
  648   2HBB  HEM 201          HV2T      HEM 201   0.806   3.545  -2.874
  649   1HMC  HEM 201          HM31      HEM 201  -2.032   3.585   2.595
  650   2HMC  HEM 201          HM32      HEM 201  -0.691   2.779   1.767
  651   3HMC  HEM 201          HM33      HEM 201  -1.089   2.349   3.434
  652    HAC  HEM 201          HT4A      HEM 201  -1.902   5.284   5.921
  653   1HBC  HEM 201          HV4C      HEM 201  -0.593   2.530   5.806
  654   2HBC  HEM 201          HV4T      HEM 201  -1.414   3.336   7.270
  655   1HMD  HEM 201          HM51      HEM 201   0.528   8.868   8.432
  656   2HMD  HEM 201          HM52      HEM 201   1.202   7.229   8.574
  657   3HMD  HEM 201          HM53      HEM 201   2.100   8.600   9.205
  658   1HAD  HEM 201          HAD1      HEM 201   3.841   9.870   8.676
  659   2HAD  HEM 201          HAD2      HEM 201   4.693  10.634   7.370
  660   1HBD  HEM 201          HBD1      HEM 201   1.925  11.554   7.387
  661   2HBD  HEM 201          HBD2      HEM 201   2.658  11.758   8.986
  Start of MODEL   17
    1   1H    ALA   3           H1       ALA   3   1.503 -10.369 -17.063
    2   2H    ALA   3           H2       ALA   3   1.332 -11.384 -18.385
    3   3H    ALA   3           H3       ALA   3   2.335 -10.056 -18.435
    4    HA   ALA   3           HA       ALA   3  -0.580 -10.137 -18.354
    5   1HB   ALA   3           HB1      ALA   3  -0.095  -8.146 -20.064
    6   2HB   ALA   3           HB2      ALA   3   1.489  -8.929 -20.194
    7   3HB   ALA   3           HB3      ALA   3   0.008  -9.834 -20.561
    8    H    VAL   4           H        VAL   4  -1.017  -7.319 -18.488
    9    HA   VAL   4           HA       VAL   4  -0.605  -6.568 -15.686
   10    HB   VAL   4           HB       VAL   4  -2.799  -6.025 -17.734
   11   1HG1  VAL   4          HG11      VAL   4  -3.988  -6.068 -15.698
   12   2HG1  VAL   4          HG12      VAL   4  -2.687  -5.244 -14.806
   13   3HG1  VAL   4          HG13      VAL   4  -3.656  -4.365 -16.006
   14   1HG2  VAL   4          HG21      VAL   4  -0.570  -4.336 -16.531
   15   2HG2  VAL   4          HG22      VAL   4  -0.852  -4.735 -18.239
   16   3HG2  VAL   4          HG23      VAL   4  -1.950  -3.634 -17.398
   17    H    LYS   5           H        LYS   5  -1.767  -7.496 -14.020
   18    HA   LYS   5           HA       LYS   5  -3.896  -9.423 -14.523
   19   1HB   LYS   5           HB2      LYS   5  -2.010 -10.882 -14.821
   20   2HB   LYS   5           HB3      LYS   5  -1.234 -10.304 -13.334
   21   1HG   LYS   5           HG2      LYS   5  -2.854 -11.332 -11.944
   22   2HG   LYS   5           HG3      LYS   5  -4.010 -11.553 -13.269
   23   1HD   LYS   5           HD2      LYS   5  -2.759 -13.272 -14.285
   24   2HD   LYS   5           HD3      LYS   5  -1.294 -12.908 -13.346
   25   1HE   LYS   5           HE2      LYS   5  -2.300 -13.706 -11.287
   26   2HE   LYS   5           HE3      LYS   5  -3.890 -13.865 -12.050
   27   1HZ   LYS   5           HZ1      LYS   5  -2.852 -15.975 -11.857
   28   2HZ   LYS   5           HZ2      LYS   5  -2.956 -15.598 -13.451
   29   3HZ   LYS   5           HZ3      LYS   5  -1.509 -15.488 -12.669
   30    H    TYR   6           H        TYR   6  -5.214  -8.177 -13.403
   31    HA   TYR   6           HA       TYR   6  -4.693  -6.650 -11.104
   32   1HB   TYR   6           HB2      TYR   6  -7.284  -8.038 -11.850
   33   2HB   TYR   6           HB3      TYR   6  -7.059  -6.554 -10.905
   34    HD1  TYR   6           HD1      TYR   6  -6.180  -4.540 -12.040
   35    HD2  TYR   6           HD2      TYR   6  -7.541  -7.938 -14.246
   36    HE1  TYR   6           HE1      TYR   6  -6.576  -3.066 -14.042
   37    HE2  TYR   6           HE2      TYR   6  -7.856  -6.524 -16.254
   38    HH   TYR   6           HH       TYR   6  -7.850  -4.365 -17.099
   39    H    TYR   7           H        TYR   7  -5.460  -7.038  -8.878
   40    HA   TYR   7           HA       TYR   7  -5.296  -9.929  -8.088
   41   1HB   TYR   7           HB2      TYR   7  -4.278  -7.599  -6.476
   42   2HB   TYR   7           HB3      TYR   7  -4.066  -9.315  -6.155
   43    HD1  TYR   7           HD1      TYR   7  -2.937 -10.600  -8.363
   44    HD2  TYR   7           HD2      TYR   7  -2.425  -6.453  -7.313
   45    HE1  TYR   7           HE1      TYR   7  -0.774 -10.552  -9.565
   46    HE2  TYR   7           HE2      TYR   7  -0.312  -6.394  -8.576
   47    HH   TYR   7           HH       TYR   7   1.190  -9.340  -9.891
   48    H    THR   8           H        THR   8  -6.851 -10.659  -6.742
   49    HA   THR   8           HA       THR   8  -9.235  -9.043  -6.273
   50    HB   THR   8           HB       THR   8  -9.885 -11.291  -5.165
   51    HG1  THR   8           HG1      THR   8  -7.587 -11.802  -4.853
   52   1HG2  THR   8          HG21      THR   8 -10.498 -10.862  -7.517
   53   2HG2  THR   8          HG22      THR   8  -8.885 -11.419  -8.046
   54   3HG2  THR   8          HG23      THR   8 -10.014 -12.550  -7.285
   55    H    LEU   9           H        LEU   9 -10.101  -8.623  -4.139
   56    HA   LEU   9           HA       LEU   9  -8.384  -7.539  -2.326
   57   1HB   LEU   9           HB2      LEU   9 -11.153  -7.923  -2.537
   58   2HB   LEU   9           HB3      LEU   9 -10.779  -8.744  -1.072
   59    HG   LEU   9           HG       LEU   9 -10.034  -5.849  -1.727
   60   1HD1  LEU   9          HD11      LEU   9 -11.682  -5.217  -0.060
   61   2HD1  LEU   9          HD12      LEU   9 -12.456  -6.219  -1.295
   62   3HD1  LEU   9          HD13      LEU   9 -12.050  -6.922   0.285
   63   1HD2  LEU   9          HD21      LEU   9  -9.495  -5.764   0.780
   64   2HD2  LEU   9          HD22      LEU   9  -9.502  -7.536   0.755
   65   3HD2  LEU   9          HD23      LEU   9  -8.326  -6.632  -0.221
   66    H    GLU  10           H        GLU  10  -9.651 -10.873  -2.326
   67    HA   GLU  10           HA       GLU  10  -8.648 -11.799   0.073
   68   1HB   GLU  10           HB2      GLU  10 -10.165 -12.959  -1.592
   69   2HB   GLU  10           HB3      GLU  10  -8.723 -13.435  -2.483
   70   1HG   GLU  10           HG2      GLU  10  -9.326 -15.259  -1.033
   71   2HG   GLU  10           HG3      GLU  10  -7.838 -14.553  -0.408
   72    H    GLU  11           H        GLU  11  -7.010 -12.321  -3.082
   73    HA   GLU  11           HA       GLU  11  -4.604 -13.289  -2.096
   74   1HB   GLU  11           HB2      GLU  11  -5.534 -12.134  -4.673
   75   2HB   GLU  11           HB3      GLU  11  -3.855 -11.766  -4.335
   76   1HG   GLU  11           HG2      GLU  11  -3.927 -13.805  -5.583
   77   2HG   GLU  11           HG3      GLU  11  -3.385 -14.180  -3.944
   78    H    ILE  12           H        ILE  12  -5.510  -9.863  -2.697
   79    HA   ILE  12           HA       ILE  12  -2.983  -8.821  -1.867
   80    HB   ILE  12           HB       ILE  12  -5.747  -7.559  -1.699
   81   1HG1  ILE  12          HG12      ILE  12  -3.747  -7.145  -3.963
   82   2HG1  ILE  12          HG13      ILE  12  -4.931  -8.429  -4.052
   83   1HG2  ILE  12          HG21      ILE  12  -4.761  -5.457  -1.502
   84   2HG2  ILE  12          HG22      ILE  12  -3.677  -6.410  -0.493
   85   3HG2  ILE  12          HG23      ILE  12  -3.198  -5.986  -2.133
   86   1HD1  ILE  12          HD11      ILE  12  -6.781  -6.857  -3.850
   87   2HD1  ILE  12          HD12      ILE  12  -5.628  -5.515  -3.681
   88   3HD1  ILE  12          HD13      ILE  12  -5.729  -6.406  -5.192
   89    H    GLN  13           H        GLN  13  -5.947  -9.631  -0.054
   90    HA   GLN  13           HA       GLN  13  -5.238  -8.714   2.520
   91   1HB   GLN  13           HB2      GLN  13  -7.317 -10.404   1.350
   92   2HB   GLN  13           HB3      GLN  13  -6.811 -11.027   2.891
   93   1HG   GLN  13           HG2      GLN  13  -7.455  -8.070   2.511
   94   2HG   GLN  13           HG3      GLN  13  -8.739  -9.259   2.715
   95   1HE2  GLN  13          HE21      GLN  13  -8.075  -7.040   4.562
   96   2HE2  GLN  13          HE22      GLN  13  -7.738  -7.844   6.085
   97    H    LYS  14           H        LYS  14  -4.583 -11.859   0.966
   98    HA   LYS  14           HA       LYS  14  -3.314 -13.060   3.190
   99   1HB   LYS  14           HB2      LYS  14  -2.868 -13.397   0.198
  100   2HB   LYS  14           HB3      LYS  14  -1.978 -14.318   1.413
  101   1HG   LYS  14           HG2      LYS  14  -4.186 -15.040   2.387
  102   2HG   LYS  14           HG3      LYS  14  -4.998 -14.299   0.997
  103   1HD   LYS  14           HD2      LYS  14  -3.819 -15.736  -0.567
  104   2HD   LYS  14           HD3      LYS  14  -2.808 -16.428   0.708
  105   1HE   LYS  14           HE2      LYS  14  -5.852 -16.689   0.527
  106   2HE   LYS  14           HE3      LYS  14  -4.708 -17.910  -0.047
  107   1HZ   LYS  14           HZ1      LYS  14  -5.612 -18.322   2.180
  108   2HZ   LYS  14           HZ2      LYS  14  -3.968 -18.276   2.149
  109   3HZ   LYS  14           HZ3      LYS  14  -4.825 -17.003   2.750
  110    H    HIS  15           H        HIS  15  -2.173 -10.386   1.252
  111    HA   HIS  15           HA       HIS  15   0.606 -10.630   2.322
  112   1HB   HIS  15           HB2      HIS  15  -0.640  -8.994   0.108
  113   2HB   HIS  15           HB3      HIS  15   0.997  -8.727   0.720
  114    HD1  HIS  15           HD1      HIS  15   2.605  -9.766  -0.974
  115    HD2  HIS  15           HD2      HIS  15  -0.915 -11.984  -0.435
  116    HE1  HIS  15           HE1      HIS  15   2.891 -11.928  -2.306
  117    H    ASN  16           H        ASN  16  -0.312 -10.276   4.471
  118    HA   ASN  16           HA       ASN  16  -0.460  -7.411   5.183
  119   1HB   ASN  16           HB2      ASN  16  -2.373  -7.633   6.541
  120   2HB   ASN  16           HB3      ASN  16  -2.820  -8.255   4.956
  121   1HD2  ASN  16          HD21      ASN  16  -2.480 -10.790   4.826
  122   2HD2  ASN  16          HD22      ASN  16  -2.849 -11.739   6.253
  123    H    ASN  17           H        ASN  17   1.821  -8.377   5.537
  124    HA   ASN  17           HA       ASN  17   3.402  -8.342   7.220
  125   1HB   ASN  17           HB2      ASN  17   1.605  -7.310   8.714
  126   2HB   ASN  17           HB3      ASN  17   1.328  -8.936   9.351
  127   1HD2  ASN  17          HD21      ASN  17   1.916  -7.428  11.282
  128   2HD2  ASN  17          HD22      ASN  17   3.596  -7.543  11.771
  129    H    SER  18           H        SER  18   3.903 -10.261   5.922
  130    HA   SER  18           HA       SER  18   4.560 -12.516   7.488
  131   1HB   SER  18           HB2      SER  18   1.876 -12.674   6.260
  132   2HB   SER  18           HB3      SER  18   2.941 -13.936   5.639
  133    HG   SER  18           HG       SER  18   3.439 -14.416   7.877
  134    H    LYS  19           H        LYS  19   3.524 -11.762   4.152
  135    HA   LYS  19           HA       LYS  19   6.133 -12.812   3.089
  136   1HB   LYS  19           HB2      LYS  19   3.353 -12.657   1.876
  137   2HB   LYS  19           HB3      LYS  19   4.806 -13.128   0.976
  138   1HG   LYS  19           HG2      LYS  19   5.156 -15.088   2.353
  139   2HG   LYS  19           HG3      LYS  19   3.991 -14.536   3.544
  140   1HD   LYS  19           HD2      LYS  19   2.688 -16.061   2.521
  141   2HD   LYS  19           HD3      LYS  19   2.225 -14.621   1.631
  142   1HE   LYS  19           HE2      LYS  19   2.767 -15.622  -0.303
  143   2HE   LYS  19           HE3      LYS  19   4.457 -15.726   0.193
  144   1HZ   LYS  19           HZ1      LYS  19   3.411 -17.863  -0.373
  145   2HZ   LYS  19           HZ2      LYS  19   4.033 -17.846   1.150
  146   3HZ   LYS  19           HZ3      LYS  19   2.407 -17.718   0.916
  147    H    SER  20           H        SER  20   3.560 -10.311   2.539
  148    HA   SER  20           HA       SER  20   5.575  -8.341   2.517
  149   1HB   SER  20           HB2      SER  20   5.956  -8.788   0.217
  150   2HB   SER  20           HB3      SER  20   4.233  -8.996  -0.127
  151    HG   SER  20           HG       SER  20   5.054  -6.926  -0.820
  152    H    THR  21           H        THR  21   4.519  -6.209   2.167
  153    HA   THR  21           HA       THR  21   1.801  -5.996   3.400
  154    HB   THR  21           HB       THR  21   4.266  -4.223   3.319
  155    HG1  THR  21           HG1      THR  21   2.536  -5.148   5.356
  156   1HG2  THR  21          HG21      THR  21   2.867  -2.462   2.974
  157   2HG2  THR  21          HG22      THR  21   1.425  -3.308   3.531
  158   3HG2  THR  21          HG23      THR  21   2.575  -2.656   4.706
  159    H    TRP  22           H        TRP  22   0.474  -6.243   1.643
  160    HA   TRP  22           HA       TRP  22   0.819  -4.354  -0.665
  161   1HB   TRP  22           HB2      TRP  22  -0.835  -6.873  -0.290
  162   2HB   TRP  22           HB3      TRP  22  -0.967  -5.782  -1.656
  163    HD1  TRP  22           HD1      TRP  22   2.613  -6.222  -0.764
  164    HE1  TRP  22           HE1      TRP  22   3.777  -7.472  -2.540
  165    HE3  TRP  22           HE3      TRP  22  -1.504  -7.879  -3.290
  166    HZ2  TRP  22           HZ2      TRP  22   3.048  -9.111  -4.876
  167    HZ3  TRP  22           HZ3      TRP  22  -1.253  -9.320  -5.263
  168    HH2  TRP  22           HH2      TRP  22   1.030  -9.879  -6.133
  169    H    LEU  23           H        LEU  23  -1.472  -3.584  -1.401
  170    HA   LEU  23           HA       LEU  23  -3.545  -3.331   0.438
  171   1HB   LEU  23           HB2      LEU  23  -3.162  -0.807   0.937
  172   2HB   LEU  23           HB3      LEU  23  -2.439  -2.045   1.923
  173    HG   LEU  23           HG       LEU  23  -0.291  -1.730   0.357
  174   1HD1  LEU  23          HD11      LEU  23  -1.708   0.891   0.035
  175   2HD1  LEU  23          HD12      LEU  23  -0.079   0.488  -0.532
  176   3HD1  LEU  23          HD13      LEU  23  -1.488  -0.290  -1.282
  177   1HD2  LEU  23          HD21      LEU  23   0.147   0.406   1.804
  178   2HD2  LEU  23          HD22      LEU  23  -1.319  -0.127   2.667
  179   3HD2  LEU  23          HD23      LEU  23   0.075  -1.218   2.528
  180    H    ILE  24           H        ILE  24  -4.951  -1.325  -0.294
  181    HA   ILE  24           HA       ILE  24  -4.876  -1.167  -3.272
  182    HB   ILE  24           HB       ILE  24  -7.200  -1.726  -1.418
  183   1HG1  ILE  24          HG12      ILE  24  -6.350  -3.193  -3.953
  184   2HG1  ILE  24          HG13      ILE  24  -5.590  -3.560  -2.418
  185   1HG2  ILE  24          HG21      ILE  24  -7.255  -1.016  -4.390
  186   2HG2  ILE  24          HG22      ILE  24  -8.630  -1.653  -3.467
  187   3HG2  ILE  24          HG23      ILE  24  -7.974  -0.063  -3.072
  188   1HD1  ILE  24          HD11      ILE  24  -7.268  -4.947  -1.887
  189   2HD1  ILE  24          HD12      ILE  24  -8.435  -3.604  -1.939
  190   3HD1  ILE  24          HD13      ILE  24  -8.064  -4.569  -3.367
  191    H    LEU  25           H        LEU  25  -4.512   0.875  -3.761
  192    HA   LEU  25           HA       LEU  25  -5.662   3.115  -2.114
  193   1HB   LEU  25           HB2      LEU  25  -3.005   2.692  -3.509
  194   2HB   LEU  25           HB3      LEU  25  -3.657   4.319  -3.289
  195    HG   LEU  25           HG       LEU  25  -3.118   4.529  -1.246
  196   1HD1  LEU  25          HD11      LEU  25  -3.029   2.791   0.465
  197   2HD1  LEU  25          HD12      LEU  25  -4.595   3.021  -0.304
  198   3HD1  LEU  25          HD13      LEU  25  -3.594   1.616  -0.751
  199   1HD2  LEU  25          HD21      LEU  25  -0.927   3.385  -0.689
  200   2HD2  LEU  25          HD22      LEU  25  -1.207   2.273  -2.025
  201   3HD2  LEU  25          HD23      LEU  25  -1.025   4.004  -2.335
  202    H    HIS  26           H        HIS  26  -7.575   2.908  -3.352
  203    HA   HIS  26           HA       HIS  26  -8.977   3.620  -4.991
  204   1HB   HIS  26           HB2      HIS  26  -6.648   4.974  -6.428
  205   2HB   HIS  26           HB3      HIS  26  -8.372   5.239  -6.640
  206    HD1  HIS  26           HD1      HIS  26  -9.577   6.794  -4.855
  207    HD2  HIS  26           HD2      HIS  26  -5.499   5.975  -4.154
  208    HE1  HIS  26           HE1      HIS  26  -8.837   8.344  -2.999
  209    H    TYR  27           H        TYR  27  -8.681   1.188  -5.187
  210    HA   TYR  27           HA       TYR  27  -8.748  -0.614  -6.510
  211   1HB   TYR  27           HB2      TYR  27  -9.043   1.370  -8.808
  212   2HB   TYR  27           HB3      TYR  27  -9.498  -0.322  -8.804
  213    HD1  TYR  27           HD1      TYR  27 -11.702  -0.928  -8.336
  214    HD2  TYR  27           HD2      TYR  27 -10.341   2.997  -7.235
  215    HE1  TYR  27           HE1      TYR  27 -13.912  -0.450  -7.327
  216    HE2  TYR  27           HE2      TYR  27 -12.561   3.496  -6.269
  217    HH   TYR  27           HH       TYR  27 -15.218   1.108  -6.247
  218    H    LYS  28           H        LYS  28  -6.054   0.673  -6.043
  219    HA   LYS  28           HA       LYS  28  -4.470  -0.441  -8.318
  220   1HB   LYS  28           HB2      LYS  28  -4.171   2.141  -6.836
  221   2HB   LYS  28           HB3      LYS  28  -2.886   1.437  -7.806
  222   1HG   LYS  28           HG2      LYS  28  -5.513   1.742  -9.198
  223   2HG   LYS  28           HG3      LYS  28  -4.793   3.244  -8.626
  224   1HD   LYS  28           HD2      LYS  28  -2.588   2.471  -9.766
  225   2HD   LYS  28           HD3      LYS  28  -3.518   1.169 -10.476
  226   1HE   LYS  28           HE2      LYS  28  -3.768   2.756 -12.167
  227   2HE   LYS  28           HE3      LYS  28  -5.177   3.161 -11.185
  228   1HZ   LYS  28           HZ1      LYS  28  -2.555   4.464 -11.191
  229   2HZ   LYS  28           HZ2      LYS  28  -4.006   5.140 -11.600
  230   3HZ   LYS  28           HZ3      LYS  28  -3.671   4.767 -10.026
  231    H    VAL  29           H        VAL  29  -3.036  -1.929  -7.611
  232    HA   VAL  29           HA       VAL  29  -2.649  -2.198  -4.720
  233    HB   VAL  29           HB       VAL  29  -1.843  -4.165  -6.864
  234   1HG1  VAL  29          HG11      VAL  29  -2.612  -4.518  -3.930
  235   2HG1  VAL  29          HG12      VAL  29  -2.001  -5.772  -5.024
  236   3HG1  VAL  29          HG13      VAL  29  -0.938  -4.454  -4.506
  237   1HG2  VAL  29          HG21      VAL  29  -4.526  -3.773  -5.514
  238   2HG2  VAL  29          HG22      VAL  29  -4.155  -3.858  -7.256
  239   3HG2  VAL  29          HG23      VAL  29  -4.019  -5.302  -6.255
  240    H    TYR  30           H        TYR  30  -0.727  -2.015  -3.728
  241    HA   TYR  30           HA       TYR  30   1.695  -1.282  -5.324
  242   1HB   TYR  30           HB2      TYR  30   0.552   0.002  -2.824
  243   2HB   TYR  30           HB3      TYR  30   2.145   0.341  -3.483
  244    HD1  TYR  30           HD1      TYR  30  -1.514   0.723  -4.058
  245    HD2  TYR  30           HD2      TYR  30   2.420   1.659  -5.514
  246    HE1  TYR  30           HE1      TYR  30  -2.468   2.461  -5.564
  247    HE2  TYR  30           HE2      TYR  30   1.411   3.346  -7.069
  248    HH   TYR  30           HH       TYR  30  -0.414   4.578  -7.541
  249    H    ASP  31           H        ASP  31   3.144  -2.887  -5.017
  250    HA   ASP  31           HA       ASP  31   3.205  -4.471  -2.498
  251   1HB   ASP  31           HB2      ASP  31   3.450  -5.741  -4.570
  252   2HB   ASP  31           HB3      ASP  31   4.761  -4.658  -5.099
  253    H    LEU  32           H        LEU  32   4.106  -3.163  -0.915
  254    HA   LEU  32           HA       LEU  32   6.600  -1.706  -1.614
  255   1HB   LEU  32           HB2      LEU  32   4.753  -1.279   0.745
  256   2HB   LEU  32           HB3      LEU  32   6.216  -0.426   0.370
  257    HG   LEU  32           HG       LEU  32   4.576  -0.381  -2.015
  258   1HD1  LEU  32          HD11      LEU  32   2.558   0.687  -1.242
  259   2HD1  LEU  32          HD12      LEU  32   2.702  -0.853  -0.390
  260   3HD1  LEU  32          HD13      LEU  32   3.114   0.663   0.444
  261   1HD2  LEU  32          HD21      LEU  32   4.834   1.975  -1.836
  262   2HD2  LEU  32          HD22      LEU  32   5.148   1.879  -0.088
  263   3HD2  LEU  32          HD23      LEU  32   6.333   1.238  -1.250
  264    H    THR  33           H        THR  33   5.706  -2.800   1.610
  265    HA   THR  33           HA       THR  33   6.708  -3.944   3.136
  266    HB   THR  33           HB       THR  33   6.535  -5.671   0.936
  267    HG1  THR  33           HG1      THR  33   6.802  -6.117   3.728
  268   1HG2  THR  33          HG21      THR  33   8.082  -7.450   1.600
  269   2HG2  THR  33          HG22      THR  33   8.898  -6.060   0.875
  270   3HG2  THR  33          HG23      THR  33   8.957  -6.313   2.646
  271    H    LYS  34           H        LYS  34   9.114  -3.728   0.502
  272    HA   LYS  34           HA       LYS  34  11.360  -3.535   2.386
  273   1HB   LYS  34           HB2      LYS  34  10.946  -3.513  -0.613
  274   2HB   LYS  34           HB3      LYS  34  12.459  -2.877   0.061
  275   1HG   LYS  34           HG2      LYS  34  12.997  -4.873   1.159
  276   2HG   LYS  34           HG3      LYS  34  11.379  -5.577   0.968
  277   1HD   LYS  34           HD2      LYS  34  11.657  -5.843  -1.411
  278   2HD   LYS  34           HD3      LYS  34  13.139  -4.864  -1.394
  279   1HE   LYS  34           HE2      LYS  34  14.019  -6.716   0.300
  280   2HE   LYS  34           HE3      LYS  34  12.710  -7.702  -0.365
  281   1HZ   LYS  34           HZ1      LYS  34  14.880  -6.414  -1.896
  282   2HZ   LYS  34           HZ2      LYS  34  14.812  -8.008  -1.504
  283   3HZ   LYS  34           HZ3      LYS  34  13.704  -7.370  -2.544
  284    H    PHE  35           H        PHE  35   8.864  -1.487   1.397
  285    HA   PHE  35           HA       PHE  35  10.511   0.930   1.822
  286   1HB   PHE  35           HB2      PHE  35   8.761   0.507  -0.140
  287   2HB   PHE  35           HB3      PHE  35   7.623   0.890   1.108
  288    HD1  PHE  35           HD1      PHE  35   6.795   3.106   0.909
  289    HD2  PHE  35           HD2      PHE  35  10.968   2.359   0.078
  290    HE1  PHE  35           HE1      PHE  35   7.148   5.513   0.467
  291    HE2  PHE  35           HE2      PHE  35  11.311   4.768  -0.319
  292    HZ   PHE  35           HZ       PHE  35   9.417   6.361  -0.081
  293    H    LEU  36           H        LEU  36   8.970  -1.283   3.812
  294    HA   LEU  36           HA       LEU  36   7.073   0.311   5.181
  295   1HB   LEU  36           HB2      LEU  36   8.812  -1.966   6.180
  296   2HB   LEU  36           HB3      LEU  36   7.489  -1.276   7.120
  297    HG   LEU  36           HG       LEU  36   7.075  -2.319   4.332
  298   1HD1  LEU  36          HD11      LEU  36   6.206  -4.410   5.459
  299   2HD1  LEU  36          HD12      LEU  36   7.930  -4.161   5.799
  300   3HD1  LEU  36          HD13      LEU  36   6.723  -3.716   7.019
  301   1HD2  LEU  36          HD21      LEU  36   5.287  -1.065   4.711
  302   2HD2  LEU  36          HD22      LEU  36   4.715  -2.609   5.336
  303   3HD2  LEU  36          HD23      LEU  36   5.239  -1.344   6.471
  304    H    GLU  37           H        GLU  37  10.408  -0.358   6.236
  305    HA   GLU  37           HA       GLU  37  10.400   1.639   8.293
  306   1HB   GLU  37           HB2      GLU  37  12.145  -0.462   7.312
  307   2HB   GLU  37           HB3      GLU  37  13.090   1.022   7.433
  308   1HG   GLU  37           HG2      GLU  37  12.519   1.252   9.778
  309   2HG   GLU  37           HG3      GLU  37  11.335  -0.066   9.678
  310    H    GLU  38           H        GLU  38  11.400   1.620   4.892
  311    HA   GLU  38           HA       GLU  38  12.834   4.069   4.853
  312   1HB   GLU  38           HB2      GLU  38  11.251   2.739   2.659
  313   2HB   GLU  38           HB3      GLU  38  12.546   3.883   2.408
  314   1HG   GLU  38           HG2      GLU  38  13.369   1.467   3.997
  315   2HG   GLU  38           HG3      GLU  38  12.849   1.166   2.339
  316    H    HIS  39           HN       HIS  39   9.427   3.246   4.298
  317    HA   HIS  39           HA       HIS  39   8.443   5.567   3.177
  318   1HB   HIS  39           HB2      HIS  39   7.090   3.630   3.223
  319   2HB   HIS  39           HB3      HIS  39   7.178   3.510   4.985
  320    HD1  HIS  39           HND      HIS  39   5.285   4.620   6.276
  321    HD2  HIS  39           HD       HIS  39   5.598   5.814   2.259
  322    HE1  HIS  39           HE       HIS  39   3.237   6.008   5.790
  323    HA   PRO  40           HA       PRO  40   9.139   8.162   6.823
  324   1HB   PRO  40           HB2      PRO  40   8.555  10.611   5.756
  325   2HB   PRO  40           HB3      PRO  40  10.036   9.690   5.377
  326   1HG   PRO  40           HG2      PRO  40   7.519   9.896   3.757
  327   2HG   PRO  40           HG3      PRO  40   9.206   9.974   3.178
  328   1HD   PRO  40           HD2      PRO  40   7.610   7.713   3.081
  329   2HD   PRO  40           HD3      PRO  40   9.397   7.649   3.194
  330    H    GLY  41           H        GLY  41   7.328   6.830   7.568
  331   1HA   GLY  41           HA1      GLY  41   5.043   8.496   8.447
  332   2HA   GLY  41           HA2      GLY  41   4.666   7.015   7.553
  333    H    GLY  42           H        GLY  42   6.774   5.340   8.541
  334   1HA   GLY  42           HA1      GLY  42   7.594   4.535  10.674
  335   2HA   GLY  42           HA2      GLY  42   6.115   5.085  11.462
  336    H    GLU  43           H        GLU  43   7.645   2.419  10.152
  337    HA   GLU  43           HA       GLU  43   5.609   0.885   8.968
  338   1HB   GLU  43           HB2      GLU  43   6.967  -1.015   9.738
  339   2HB   GLU  43           HB3      GLU  43   7.798   0.191   8.750
  340   1HG   GLU  43           HG2      GLU  43   9.262   0.809  10.374
  341   2HG   GLU  43           HG3      GLU  43   8.060   0.741  11.655
  342    H    ALA  44           H        ALA  44   3.760   1.198  10.033
  343    HA   ALA  44           HA       ALA  44   3.078  -0.740  12.073
  344   1HB   ALA  44           HB1      ALA  44   3.974   1.754  13.120
  345   2HB   ALA  44           HB2      ALA  44   2.211   1.837  13.210
  346   3HB   ALA  44           HB3      ALA  44   3.067   0.492  13.965
  347    H    VAL  45           H        VAL  45   1.917   2.528  11.127
  348    HA   VAL  45           HA       VAL  45  -0.680   1.538  10.534
  349    HB   VAL  45           HB       VAL  45  -0.140   3.827  11.233
  350   1HG1  VAL  45          HG11      VAL  45   0.478   4.468   8.331
  351   2HG1  VAL  45          HG12      VAL  45   0.644   5.488   9.777
  352   3HG1  VAL  45          HG13      VAL  45   1.762   4.139   9.517
  353   1HG2  VAL  45          HG21      VAL  45  -2.352   3.134  10.266
  354   2HG2  VAL  45          HG22      VAL  45  -1.964   4.852  10.079
  355   3HG2  VAL  45          HG23      VAL  45  -1.804   3.757   8.704
  356    H    LEU  46           H        LEU  46   2.260   2.164   8.165
  357    HA   LEU  46           HA       LEU  46   0.604   1.309   6.046
  358   1HB   LEU  46           HB2      LEU  46   2.612   2.546   5.737
  359   2HB   LEU  46           HB3      LEU  46   3.569   1.356   6.638
  360    HG   LEU  46           HG       LEU  46   3.233  -0.281   4.916
  361   1HD1  LEU  46          HD11      LEU  46   1.049   0.494   3.976
  362   2HD1  LEU  46          HD12      LEU  46   1.870   1.896   3.266
  363   3HD1  LEU  46          HD13      LEU  46   2.287   0.249   2.735
  364   1HD2  LEU  46          HD21      LEU  46   5.143   1.358   4.870
  365   2HD2  LEU  46          HD22      LEU  46   4.719   0.793   3.237
  366   3HD2  LEU  46          HD23      LEU  46   4.201   2.399   3.795
  367    H    ARG  47           H        ARG  47   1.972  -0.580   8.676
  368    HA   ARG  47           HA       ARG  47   1.864  -3.113   7.173
  369   1HB   ARG  47           HB2      ARG  47   2.873  -2.163   9.810
  370   2HB   ARG  47           HB3      ARG  47   2.193  -3.782   9.823
  371   1HG   ARG  47           HG2      ARG  47   4.129  -3.046   7.619
  372   2HG   ARG  47           HG3      ARG  47   4.745  -3.320   9.244
  373   1HD   ARG  47           HD2      ARG  47   3.469  -5.558   9.231
  374   2HD   ARG  47           HD3      ARG  47   3.110  -5.263   7.539
  375    HE   ARG  47           HE       ARG  47   5.230  -5.882   6.963
  376   1HH1  ARG  47          HH11      ARG  47   8.142  -6.357   8.929
  377   2HH1  ARG  47          HH12      ARG  47   7.460  -6.523   7.344
  378   1HH2  ARG  47          HH21      ARG  47   6.851  -5.469  10.691
  379   2HH2  ARG  47          HH22      ARG  47   5.179  -5.111  10.393
  380    H    ALA  48           H        ALA  48  -0.107  -1.353   9.565
  381    HA   ALA  48           HA       ALA  48  -1.842  -3.630  10.022
  382   1HB   ALA  48           HB1      ALA  48  -1.246  -1.637  11.607
  383   2HB   ALA  48           HB2      ALA  48  -2.559  -0.791  10.757
  384   3HB   ALA  48           HB3      ALA  48  -2.888  -2.313  11.614
  385    H    GLN  49           H        GLN  49  -1.994  -0.643   8.009
  386    HA   GLN  49           HA       GLN  49  -4.710  -1.195   7.080
  387   1HB   GLN  49           HB2      GLN  49  -2.456   0.716   6.350
  388   2HB   GLN  49           HB3      GLN  49  -3.985   0.710   5.519
  389   1HG   GLN  49           HG2      GLN  49  -3.644   1.231   8.498
  390   2HG   GLN  49           HG3      GLN  49  -3.985   2.442   7.255
  391   1HE2  GLN  49          HE21      GLN  49  -5.563   0.987   9.686
  392   2HE2  GLN  49          HE22      GLN  49  -7.147   0.847   8.940
  393    H    ALA  50           H        ALA  50  -1.669  -2.589   6.462
  394    HA   ALA  50           HA       ALA  50  -1.800  -3.069   3.710
  395   1HB   ALA  50           HB1      ALA  50   0.111  -3.620   5.282
  396   2HB   ALA  50           HB2      ALA  50  -0.826  -5.029   5.815
  397   3HB   ALA  50           HB3      ALA  50  -0.307  -4.910   4.125
  398    H    GLY  51           H        GLY  51  -2.566  -4.963   2.588
  399   1HA   GLY  51           HA1      GLY  51  -3.616  -7.139   2.718
  400   2HA   GLY  51           HA2      GLY  51  -4.772  -6.531   3.913
  401    H    GLY  52           H        GLY  52  -4.965  -3.881   2.363
  402   1HA   GLY  52           HA1      GLY  52  -5.623  -3.572  -0.089
  403   2HA   GLY  52           HA2      GLY  52  -6.681  -4.946   0.131
  404    H    ASP  53           H        ASP  53  -6.166  -2.152   2.343
  405    HA   ASP  53           HA       ASP  53  -8.641  -0.937   1.502
  406   1HB   ASP  53           HB2      ASP  53  -9.509  -2.894   2.861
  407   2HB   ASP  53           HB3      ASP  53  -8.586  -2.290   4.245
  408    H    ALA  54           H        ALA  54  -6.533   0.423   1.305
  409    HA   ALA  54           HA       ALA  54  -6.208   1.980   3.856
  410   1HB   ALA  54           HB1      ALA  54  -3.875   2.204   3.462
  411   2HB   ALA  54           HB2      ALA  54  -4.242   0.458   3.374
  412   3HB   ALA  54           HB3      ALA  54  -3.982   1.372   1.893
  413    H    THR  55           H        THR  55  -7.801   2.203   1.146
  414    HA   THR  55           HA       THR  55  -6.559   4.353  -0.267
  415    HB   THR  55           HB       THR  55  -9.540   3.686  -0.165
  416    HG1  THR  55           HG1      THR  55  -7.487   2.113  -0.943
  417   1HG2  THR  55          HG21      THR  55  -7.689   4.860  -2.261
  418   2HG2  THR  55          HG22      THR  55  -9.377   4.390  -2.567
  419   3HG2  THR  55          HG23      THR  55  -9.005   5.718  -1.443
  420    H    ALA  56           H        ALA  56  -9.242   4.298   2.110
  421    HA   ALA  56           HA       ALA  56  -9.562   7.112   2.279
  422   1HB   ALA  56           HB1      ALA  56 -11.219   5.404   3.084
  423   2HB   ALA  56           HB2      ALA  56 -10.140   5.045   4.451
  424   3HB   ALA  56           HB3      ALA  56 -10.856   6.661   4.280
  425    H    ASN  57           H        ASN  57  -7.485   4.845   4.110
  426    HA   ASN  57           HA       ASN  57  -6.480   6.804   5.952
  427   1HB   ASN  57           HB2      ASN  57  -5.720   4.016   5.148
  428   2HB   ASN  57           HB3      ASN  57  -4.426   5.022   5.793
  429   1HD2  ASN  57          HD21      ASN  57  -7.237   3.175   6.699
  430   2HD2  ASN  57          HD22      ASN  57  -7.273   3.709   8.363
  431    H    PHE  58           H        PHE  58  -5.061   5.507   2.933
  432    HA   PHE  58           HA       PHE  58  -2.740   7.035   2.781
  433   1HB   PHE  58           HB2      PHE  58  -3.321   5.192   1.289
  434   2HB   PHE  58           HB3      PHE  58  -4.630   6.115   0.575
  435    HD1  PHE  58           HD1      PHE  58  -1.031   5.525   0.633
  436    HD2  PHE  58           HD2      PHE  58  -4.198   7.853  -1.111
  437    HE1  PHE  58           HE1      PHE  58   0.556   6.424  -1.057
  438    HE2  PHE  58           HE2      PHE  58  -2.687   8.574  -2.906
  439    HZ   PHE  58           HZ       PHE  58  -0.275   7.905  -2.866
  440    H    GLU  59           H        GLU  59  -5.997   7.866   1.495
  441    HA   GLU  59           HA       GLU  59  -5.265  10.479   0.587
  442   1HB   GLU  59           HB2      GLU  59  -7.907   9.169   1.238
  443   2HB   GLU  59           HB3      GLU  59  -7.777  10.767   0.484
  444   1HG   GLU  59           HG2      GLU  59  -6.319   8.408  -0.756
  445   2HG   GLU  59           HG3      GLU  59  -8.044   8.623  -0.965
  446    H    ALA  60           H        ALA  60  -6.859   9.341   3.600
  447    HA   ALA  60           HA       ALA  60  -7.521  11.858   4.693
  448   1HB   ALA  60           HB1      ALA  60  -7.455  10.654   6.895
  449   2HB   ALA  60           HB2      ALA  60  -8.403   9.804   5.663
  450   3HB   ALA  60           HB3      ALA  60  -6.764   9.244   6.077
  451    H    VAL  61           H        VAL  61  -4.575   9.866   5.033
  452    HA   VAL  61           HA       VAL  61  -3.084  11.789   6.587
  453    HB   VAL  61           HB       VAL  61  -2.234   9.524   4.728
  454   1HG1  VAL  61          HG11      VAL  61  -0.118  10.283   4.920
  455   2HG1  VAL  61          HG12      VAL  61  -0.636  11.654   5.920
  456   3HG1  VAL  61          HG13      VAL  61  -0.266  10.127   6.684
  457   1HG2  VAL  61          HG21      VAL  61  -2.348   9.691   7.777
  458   2HG2  VAL  61          HG22      VAL  61  -3.533   8.838   6.783
  459   3HG2  VAL  61          HG23      VAL  61  -1.860   8.284   6.802
  460    H    GLY  62           H        GLY  62  -3.197  11.001   3.063
  461   1HA   GLY  62           HA1      GLY  62  -3.099  12.475   1.284
  462   2HA   GLY  62           HA2      GLY  62  -2.746  13.837   2.365
  463    H    HIS  63           HN       HIS  63  -1.260  13.527   0.044
  464    HA   HIS  63           HA       HIS  63   1.444  12.966   0.937
  465   1HB   HIS  63           HB2      HIS  63   0.038  11.229  -1.171
  466   2HB   HIS  63           HB3      HIS  63   1.770  11.315  -0.845
  467    HD1  HIS  63           HND      HIS  63  -1.153   9.293   0.308
  468    HD2  HIS  63           HD       HIS  63   2.736  10.394   1.368
  469    HE1  HIS  63           HE       HIS  63  -0.311   7.478   1.871
  470    H    SER  64           H        SER  64   2.959  13.587  -0.787
  471    HA   SER  64           HA       SER  64   1.863  15.685  -2.576
  472   1HB   SER  64           HB2      SER  64   4.459  15.137  -1.204
  473   2HB   SER  64           HB3      SER  64   4.599  15.862  -2.806
  474    HG   SER  64           HG       SER  64   3.076  16.811  -0.621
  475    H    THR  65           H        THR  65   3.222  16.055  -4.643
  476    HA   THR  65           HA       THR  65   2.503  14.223  -6.636
  477    HB   THR  65           HB       THR  65   4.236  15.475  -7.963
  478    HG1  THR  65           HG1      THR  65   5.519  16.884  -6.918
  479   1HG2  THR  65          HG21      THR  65   2.606  17.471  -6.351
  480   2HG2  THR  65          HG22      THR  65   2.964  17.456  -8.089
  481   3HG2  THR  65          HG23      THR  65   1.798  16.304  -7.418
  482    H    ASP  66           H        ASP  66   5.665  14.757  -5.128
  483    HA   ASP  66           HA       ASP  66   7.202  12.790  -6.258
  484   1HB   ASP  66           HB2      ASP  66   7.612  14.514  -4.221
  485   2HB   ASP  66           HB3      ASP  66   7.331  13.083  -3.233
  486    H    ALA  67           H        ALA  67   5.006  12.369  -3.500
  487    HA   ALA  67           HA       ALA  67   5.403   9.547  -3.162
  488   1HB   ALA  67           HB1      ALA  67   2.724  10.699  -2.591
  489   2HB   ALA  67           HB2      ALA  67   3.735   9.659  -1.586
  490   3HB   ALA  67           HB3      ALA  67   4.080  11.403  -1.683
  491    H    ARG  68           H        ARG  68   3.029  11.501  -4.964
  492    HA   ARG  68           HA       ARG  68   1.314   9.504  -5.773
  493   1HB   ARG  68           HB2      ARG  68   1.603  12.244  -6.324
  494   2HB   ARG  68           HB3      ARG  68   1.649  11.483  -7.908
  495   1HG   ARG  68           HG2      ARG  68  -0.605  11.909  -7.579
  496   2HG   ARG  68           HG3      ARG  68  -0.483  10.201  -7.150
  497   1HD   ARG  68           HD2      ARG  68  -0.323  10.839  -4.730
  498   2HD   ARG  68           HD3      ARG  68  -0.435  12.538  -5.141
  499    HE   ARG  68           HE       ARG  68  -2.575  10.608  -4.887
  500   1HH1  ARG  68          HH11      ARG  68  -5.103  12.813  -5.919
  501   2HH1  ARG  68          HH12      ARG  68  -4.750  11.394  -4.996
  502   1HH2  ARG  68          HH21      ARG  68  -3.310  14.135  -6.784
  503   2HH2  ARG  68          HH22      ARG  68  -1.687  13.543  -6.595
  504    H    GLU  69           H        GLU  69   4.436  10.611  -7.078
  505    HA   GLU  69           HA       GLU  69   4.470   8.983  -9.540
  506   1HB   GLU  69           HB2      GLU  69   6.040  11.180  -8.310
  507   2HB   GLU  69           HB3      GLU  69   6.916  10.125  -9.401
  508   1HG   GLU  69           HG2      GLU  69   4.259  11.151 -10.388
  509   2HG   GLU  69           HG3      GLU  69   5.582  12.313 -10.236
  510    H    LEU  70           H        LEU  70   5.972   9.011  -6.321
  511    HA   LEU  70           HA       LEU  70   7.850   6.942  -6.832
  512   1HB   LEU  70           HB2      LEU  70   8.022   8.552  -5.009
  513   2HB   LEU  70           HB3      LEU  70   6.551   7.891  -4.293
  514    HG   LEU  70           HG       LEU  70   7.570   6.337  -3.154
  515   1HD1  LEU  70          HD11      LEU  70   9.507   4.959  -4.038
  516   2HD1  LEU  70          HD12      LEU  70   7.909   4.823  -4.780
  517   3HD1  LEU  70          HD13      LEU  70   9.200   5.744  -5.603
  518   1HD2  LEU  70          HD21      LEU  70  10.146   7.714  -3.940
  519   2HD2  LEU  70          HD22      LEU  70   8.996   8.315  -2.718
  520   3HD2  LEU  70          HD23      LEU  70   9.821   6.763  -2.476
  521    H    SER  71           H        SER  71   4.657   6.932  -5.275
  522    HA   SER  71           HA       SER  71   4.170   4.215  -4.879
  523   1HB   SER  71           HB2      SER  71   1.867   4.720  -4.984
  524   2HB   SER  71           HB3      SER  71   2.679   6.122  -4.274
  525    HG   SER  71           HG       SER  71   1.393   6.991  -5.790
  526    H    LYS  72           H        LYS  72   3.770   6.013  -7.980
  527    HA   LYS  72           HA       LYS  72   2.921   3.885  -9.579
  528   1HB   LYS  72           HB2      LYS  72   4.505   6.366 -10.131
  529   2HB   LYS  72           HB3      LYS  72   4.344   5.177 -11.400
  530   1HG   LYS  72           HG2      LYS  72   1.882   6.074  -9.859
  531   2HG   LYS  72           HG3      LYS  72   2.607   7.162 -11.053
  532   1HD   LYS  72           HD2      LYS  72   2.560   5.425 -12.774
  533   2HD   LYS  72           HD3      LYS  72   1.843   4.259 -11.644
  534   1HE   LYS  72           HE2      LYS  72  -0.195   5.617 -11.489
  535   2HE   LYS  72           HE3      LYS  72   0.548   6.911 -12.444
  536   1HZ   LYS  72           HZ1      LYS  72  -0.851   5.586 -13.843
  537   2HZ   LYS  72           HZ2      LYS  72   0.710   5.380 -14.293
  538   3HZ   LYS  72           HZ3      LYS  72  -0.049   4.199 -13.444
  539    H    THR  73           H        THR  73   6.263   4.531  -8.516
  540    HA   THR  73           HA       THR  73   7.440   2.380 -10.082
  541    HB   THR  73           HB       THR  73   8.389   4.349  -7.999
  542    HG1  THR  73           HG1      THR  73   9.275   3.623 -10.577
  543   1HG2  THR  73          HG21      THR  73  10.050   1.970  -8.869
  544   2HG2  THR  73          HG22      THR  73  10.649   3.450  -8.088
  545   3HG2  THR  73          HG23      THR  73   9.542   2.390  -7.213
  546    H    PHE  74           H        PHE  74   5.442   2.319  -7.326
  547    HA   PHE  74           HA       PHE  74   6.489  -0.352  -6.477
  548   1HB   PHE  74           HB2      PHE  74   4.929   1.778  -4.959
  549   2HB   PHE  74           HB3      PHE  74   5.113   0.119  -4.403
  550    HD1  PHE  74           HD1      PHE  74   7.710  -0.752  -4.582
  551    HD2  PHE  74           HD2      PHE  74   6.313   3.230  -3.674
  552    HE1  PHE  74           HE1      PHE  74   9.830  -0.274  -3.404
  553    HE2  PHE  74           HE2      PHE  74   8.360   3.623  -2.329
  554    HZ   PHE  74           HZ       PHE  74  10.148   1.905  -2.255
  555    H    ILE  75           H        ILE  75   4.125   1.217  -8.319
  556    HA   ILE  75           HA       ILE  75   1.867  -0.288  -7.490
  557    HB   ILE  75           HB       ILE  75   2.240   1.867  -9.033
  558   1HG1  ILE  75          HG12      ILE  75   0.135   0.947  -7.932
  559   2HG1  ILE  75          HG13      ILE  75  -0.024   2.009  -9.333
  560   1HG2  ILE  75          HG21      ILE  75   3.150   0.676 -10.997
  561   2HG2  ILE  75          HG22      ILE  75   1.675  -0.278 -11.131
  562   3HG2  ILE  75          HG23      ILE  75   1.615   1.477 -11.367
  563   1HD1  ILE  75          HD11      ILE  75  -1.525   0.035  -9.284
  564   2HD1  ILE  75          HD12      ILE  75  -0.530   0.138 -10.753
  565   3HD1  ILE  75          HD13      ILE  75  -0.070  -0.985  -9.443
  566    H    ILE  76           H        ILE  76   1.260  -2.339  -7.950
  567    HA   ILE  76           HA       ILE  76   3.045  -3.938  -9.784
  568    HB   ILE  76           HB       ILE  76   1.994  -5.890  -8.502
  569   1HG1  ILE  76          HG12      ILE  76   1.530  -3.727  -6.384
  570   2HG1  ILE  76          HG13      ILE  76   0.257  -4.424  -7.367
  571   1HG2  ILE  76          HG21      ILE  76   4.344  -5.170  -8.423
  572   2HG2  ILE  76          HG22      ILE  76   3.954  -4.008  -7.141
  573   3HG2  ILE  76          HG23      ILE  76   3.805  -5.767  -6.866
  574   1HD1  ILE  76          HD11      ILE  76   1.861  -6.513  -6.086
  575   2HD1  ILE  76          HD12      ILE  76   1.161  -5.366  -4.923
  576   3HD1  ILE  76          HD13      ILE  76   0.118  -6.235  -6.061
  577    H    GLY  77           H        GLY  77  -0.324  -3.000  -9.146
  578   1HA   GLY  77           HA1      GLY  77  -1.161  -3.359 -11.771
  579   2HA   GLY  77           HA2      GLY  77  -1.535  -4.881 -10.913
  580    H    GLU  78           H        GLU  78  -3.748  -4.272 -11.229
  581    HA   GLU  78           HA       GLU  78  -4.713  -2.124  -9.460
  582   1HB   GLU  78           HB2      GLU  78  -5.155  -2.536 -12.325
  583   2HB   GLU  78           HB3      GLU  78  -6.662  -2.456 -11.414
  584   1HG   GLU  78           HG2      GLU  78  -6.551  -0.251 -11.557
  585   2HG   GLU  78           HG3      GLU  78  -5.184  -0.275 -10.461
  586    H    LEU  79           H        LEU  79  -7.038  -2.403  -8.996
  587    HA   LEU  79           HA       LEU  79  -7.333  -4.844  -7.474
  588   1HB   LEU  79           HB2      LEU  79  -8.178  -2.719  -6.653
  589   2HB   LEU  79           HB3      LEU  79  -9.176  -2.507  -8.110
  590    HG   LEU  79           HG       LEU  79 -10.399  -4.679  -7.378
  591   1HD1  LEU  79          HD11      LEU  79  -8.387  -4.816  -5.502
  592   2HD1  LEU  79          HD12      LEU  79  -9.722  -4.052  -4.595
  593   3HD1  LEU  79          HD13      LEU  79  -9.941  -5.630  -5.382
  594   1HD2  LEU  79          HD21      LEU  79 -11.646  -3.275  -5.567
  595   2HD2  LEU  79          HD22      LEU  79 -10.596  -1.968  -6.112
  596   3HD2  LEU  79          HD23      LEU  79 -11.665  -2.822  -7.264
  597    H    HIS  80           H        HIS  80  -8.438  -6.653  -8.031
  598    HA   HIS  80           HA       HIS  80  -9.052  -7.288 -10.669
  599   1HB   HIS  80           HB2      HIS  80  -8.739  -8.746  -8.574
  600   2HB   HIS  80           HB3      HIS  80 -10.490  -8.618  -8.379
  601    HD1  HIS  80           HD1      HIS  80 -11.814 -10.290 -10.023
  602    HD2  HIS  80           HD2      HIS  80  -7.692  -9.961 -10.726
  603    HE1  HIS  80           HE1      HIS  80 -11.256 -12.019 -11.776
  604    HA   PRO  81           HA       PRO  81 -12.926  -5.389 -11.431
  605   1HB   PRO  81           HB2      PRO  81 -13.774  -6.740 -13.661
  606   2HB   PRO  81           HB3      PRO  81 -12.516  -5.472 -13.638
  607   1HG   PRO  81           HG2      PRO  81 -12.135  -8.464 -13.654
  608   2HG   PRO  81           HG3      PRO  81 -11.221  -7.222 -14.564
  609   1HD   PRO  81           HD2      PRO  81 -10.338  -8.383 -12.271
  610   2HD   PRO  81           HD3      PRO  81  -9.904  -6.711 -12.722
  611    H    ASP  82           H        ASP  82 -12.581  -8.543 -10.280
  612    HA   ASP  82           HA       ASP  82 -15.442  -9.193 -10.135
  613   1HB   ASP  82           HB2      ASP  82 -13.609 -10.917 -10.433
  614   2HB   ASP  82           HB3      ASP  82 -13.124 -10.567  -8.731
  615    H    ASP  83           H        ASP  83 -13.036  -7.467  -8.266
  616    HA   ASP  83           HA       ASP  83 -14.387  -7.720  -5.671
  617   1HB   ASP  83           HB2      ASP  83 -12.000  -7.489  -5.696
  618   2HB   ASP  83           HB3      ASP  83 -12.098  -6.034  -6.705
  619    H    ARG  84           H        ARG  84 -13.854  -5.200  -8.108
  620    HA   ARG  84           HA       ARG  84 -15.444  -3.201  -6.855
  621   1HB   ARG  84           HB2      ARG  84 -15.153  -1.930  -8.887
  622   2HB   ARG  84           HB3      ARG  84 -13.639  -2.764  -8.489
  623   1HG   ARG  84           HG2      ARG  84 -14.429  -4.605 -10.118
  624   2HG   ARG  84           HG3      ARG  84 -15.720  -3.520 -10.597
  625   1HD   ARG  84           HD2      ARG  84 -13.912  -3.318 -12.187
  626   2HD   ARG  84           HD3      ARG  84 -14.138  -1.806 -11.279
  627    HE   ARG  84           HE       ARG  84 -12.130  -3.535 -10.073
  628   1HH1  ARG  84          HH11      ARG  84  -9.445  -1.507 -11.185
  629   2HH1  ARG  84          HH12      ARG  84  -9.853  -2.967 -10.346
  630   1HH2  ARG  84          HH21      ARG  84 -11.010  -0.682 -12.769
  631   2HH2  ARG  84          HH22      ARG  84 -12.643  -1.277 -12.721
  632    HHA  HEM 201           HGM      HEM 201   4.418  11.036   4.993
  633    HHB  HEM 201           HDM      HEM 201   5.605   8.160  -0.663
  634    HHC  HEM 201           HAM      HEM 201   1.118   3.756   0.630
  635    HHD  HEM 201           HBM      HEM 201  -0.015   6.550   6.353
  636   1HMA  HEM 201          HM81      HEM 201   6.073  10.796  -0.667
  637   2HMA  HEM 201          HM82      HEM 201   7.235  11.420   0.504
  638   3HMA  HEM 201          HM83      HEM 201   7.383   9.758  -0.067
  639   1HAA  HEM 201          HAA1      HEM 201   6.216  12.109   3.855
  640   2HAA  HEM 201          HAA2      HEM 201   6.508  12.564   2.187
  641   1HBA  HEM 201          HBA1      HEM 201   4.663  13.760   3.717
  642   2HBA  HEM 201          HBA2      HEM 201   3.629  12.499   3.062
  643   1HMB  HEM 201          HM11      HEM 201   5.943   5.742  -1.895
  644   2HMB  HEM 201          HM12      HEM 201   4.634   5.163  -2.919
  645   3HMB  HEM 201          HM13      HEM 201   4.895   6.908  -2.750
  646    HAB  HEM 201          HT2A      HEM 201   2.752   2.897  -1.292
  647   1HBB  HEM 201          HV2C      HEM 201   1.208   5.018  -2.752
  648   2HBB  HEM 201          HV2T      HEM 201   1.134   3.152  -2.883
  649   1HMC  HEM 201          HM31      HEM 201  -1.071   2.274   3.117
  650   2HMC  HEM 201          HM32      HEM 201  -1.967   3.506   2.232
  651   3HMC  HEM 201          HM33      HEM 201  -0.551   2.719   1.509
  652    HAC  HEM 201          HT4A      HEM 201  -2.011   5.250   5.695
  653   1HBC  HEM 201          HV4C      HEM 201  -1.043   2.394   5.233
  654   2HBC  HEM 201          HV4T      HEM 201  -1.943   3.061   6.698
  655   1HMD  HEM 201          HM51      HEM 201   0.070   8.410   8.165
  656   2HMD  HEM 201          HM52      HEM 201   1.377   7.243   8.440
  657   3HMD  HEM 201          HM53      HEM 201   1.564   8.922   8.956
  658   1HAD  HEM 201          HAD1      HEM 201   3.380  10.123   8.478
  659   2HAD  HEM 201          HAD2      HEM 201   4.163  10.972   7.184
  660   1HBD  HEM 201          HBD1      HEM 201   1.326  11.638   7.205
  661   2HBD  HEM 201          HBD2      HEM 201   2.021  11.869   8.810
  Start of MODEL   18
    1   1H    ALA   3           H1       ALA   3   1.713  -9.775 -17.242
    2   2H    ALA   3           H2       ALA   3   1.374 -10.751 -18.558
    3   3H    ALA   3           H3       ALA   3   2.395  -9.440 -18.696
    4    HA   ALA   3           HA       ALA   3  -0.483  -9.508 -18.294
    5   1HB   ALA   3           HB1      ALA   3   0.550  -7.299 -19.937
    6   2HB   ALA   3           HB2      ALA   3   1.081  -8.876 -20.545
    7   3HB   ALA   3           HB3      ALA   3  -0.642  -8.557 -20.311
    8    H    VAL   4           H        VAL   4  -0.781  -6.614 -18.360
    9    HA   VAL   4           HA       VAL   4  -0.253  -5.902 -15.595
   10    HB   VAL   4           HB       VAL   4  -1.348  -4.386 -17.170
   11   1HG1  VAL   4          HG11      VAL   4  -3.554  -4.694 -18.064
   12   2HG1  VAL   4          HG12      VAL   4  -2.656  -6.151 -18.489
   13   3HG1  VAL   4          HG13      VAL   4  -3.805  -6.189 -17.144
   14   1HG2  VAL   4          HG21      VAL   4  -2.228  -3.433 -15.369
   15   2HG2  VAL   4          HG22      VAL   4  -3.689  -4.406 -15.567
   16   3HG2  VAL   4          HG23      VAL   4  -2.378  -4.979 -14.529
   17    H    LYS   5           H        LYS   5  -1.364  -6.814 -13.799
   18    HA   LYS   5           HA       LYS   5  -3.310  -8.964 -14.302
   19   1HB   LYS   5           HB2      LYS   5  -1.067 -10.071 -14.207
   20   2HB   LYS   5           HB3      LYS   5  -0.848  -9.440 -12.560
   21   1HG   LYS   5           HG2      LYS   5  -2.922 -10.661 -11.850
   22   2HG   LYS   5           HG3      LYS   5  -3.149 -11.202 -13.521
   23   1HD   LYS   5           HD2      LYS   5  -0.585 -12.086 -13.058
   24   2HD   LYS   5           HD3      LYS   5  -1.253 -12.146 -11.415
   25   1HE   LYS   5           HE2      LYS   5  -3.259 -13.430 -12.454
   26   2HE   LYS   5           HE3      LYS   5  -2.306 -13.514 -13.946
   27   1HZ   LYS   5           HZ1      LYS   5  -1.596 -14.675 -11.333
   28   2HZ   LYS   5           HZ2      LYS   5  -2.035 -15.489 -12.689
   29   3HZ   LYS   5           HZ3      LYS   5  -0.601 -14.686 -12.648
   30    H    TYR   6           H        TYR   6  -4.986  -8.582 -13.010
   31    HA   TYR   6           HA       TYR   6  -4.699  -6.602 -10.885
   32   1HB   TYR   6           HB2      TYR   6  -7.177  -8.125 -11.729
   33   2HB   TYR   6           HB3      TYR   6  -7.049  -6.649 -10.764
   34    HD1  TYR   6           HD1      TYR   6  -6.606  -4.494 -11.812
   35    HD2  TYR   6           HD2      TYR   6  -7.081  -8.057 -14.161
   36    HE1  TYR   6           HE1      TYR   6  -6.811  -3.102 -13.877
   37    HE2  TYR   6           HE2      TYR   6  -7.308  -6.686 -16.206
   38    HH   TYR   6           HH       TYR   6  -7.422  -4.547 -17.076
   39    H    TYR   7           H        TYR   7  -5.604  -7.057  -8.721
   40    HA   TYR   7           HA       TYR   7  -5.416  -9.933  -7.913
   41   1HB   TYR   7           HB2      TYR   7  -4.382  -7.587  -6.318
   42   2HB   TYR   7           HB3      TYR   7  -4.181  -9.303  -5.975
   43    HD1  TYR   7           HD1      TYR   7  -2.809 -10.688  -7.752
   44    HD2  TYR   7           HD2      TYR   7  -2.787  -6.385  -7.582
   45    HE1  TYR   7           HE1      TYR   7  -0.684 -10.639  -9.027
   46    HE2  TYR   7           HE2      TYR   7  -0.662  -6.340  -8.830
   47    HH   TYR   7           HH       TYR   7   1.016  -9.316  -9.873
   48    H    THR   8           H        THR   8  -7.060 -10.591  -6.525
   49    HA   THR   8           HA       THR   8  -9.396  -8.877  -6.225
   50    HB   THR   8           HB       THR   8 -10.175 -11.010  -5.027
   51    HG1  THR   8           HG1      THR   8  -8.550 -12.773  -5.227
   52   1HG2  THR   8          HG21      THR   8  -8.993 -11.414  -7.823
   53   2HG2  THR   8          HG22      THR   8 -10.262 -12.396  -7.066
   54   3HG2  THR   8          HG23      THR   8 -10.581 -10.701  -7.456
   55    H    LEU   9           H        LEU   9 -10.340  -8.468  -4.086
   56    HA   LEU   9           HA       LEU   9  -8.591  -7.321  -2.267
   57   1HB   LEU   9           HB2      LEU   9 -11.347  -7.568  -2.525
   58   2HB   LEU   9           HB3      LEU   9 -11.058  -8.451  -1.049
   59    HG   LEU   9           HG       LEU   9 -10.239  -5.576  -1.663
   60   1HD1  LEU   9          HD11      LEU   9 -11.861  -4.974   0.080
   61   2HD1  LEU   9          HD12      LEU   9 -12.663  -5.922  -1.179
   62   3HD1  LEU   9          HD13      LEU   9 -12.240  -6.690   0.355
   63   1HD2  LEU   9          HD21      LEU   9  -8.548  -6.619  -0.116
   64   2HD2  LEU   9          HD22      LEU   9  -9.514  -5.367   0.662
   65   3HD2  LEU   9          HD23      LEU   9  -9.875  -7.077   0.973
   66    H    GLU  10           H        GLU  10  -9.945 -10.609  -2.336
   67    HA   GLU  10           HA       GLU  10  -8.866 -11.628   0.035
   68   1HB   GLU  10           HB2      GLU  10 -10.493 -12.771  -1.539
   69   2HB   GLU  10           HB3      GLU  10  -9.110 -13.241  -2.517
   70   1HG   GLU  10           HG2      GLU  10  -9.663 -15.071  -1.034
   71   2HG   GLU  10           HG3      GLU  10  -8.109 -14.402  -0.536
   72    H    GLU  11           H        GLU  11  -7.400 -12.151  -3.250
   73    HA   GLU  11           HA       GLU  11  -5.004 -13.157  -2.373
   74   1HB   GLU  11           HB2      GLU  11  -5.903 -11.707  -4.839
   75   2HB   GLU  11           HB3      GLU  11  -4.192 -11.647  -4.507
   76   1HG   GLU  11           HG2      GLU  11  -4.362 -13.525  -5.833
   77   2HG   GLU  11           HG3      GLU  11  -4.259 -14.215  -4.219
   78    H    ILE  12           H        ILE  12  -5.774  -9.663  -2.796
   79    HA   ILE  12           HA       ILE  12  -3.203  -8.773  -1.946
   80    HB   ILE  12           HB       ILE  12  -5.920  -7.427  -1.764
   81   1HG1  ILE  12          HG12      ILE  12  -3.728  -7.050  -3.858
   82   2HG1  ILE  12          HG13      ILE  12  -5.079  -8.151  -4.068
   83   1HG2  ILE  12          HG21      ILE  12  -4.940  -5.731  -0.668
   84   2HG2  ILE  12          HG22      ILE  12  -3.350  -6.511  -0.735
   85   3HG2  ILE  12          HG23      ILE  12  -3.865  -5.464  -2.046
   86   1HD1  ILE  12          HD11      ILE  12  -5.738  -6.162  -5.164
   87   2HD1  ILE  12          HD12      ILE  12  -6.663  -6.249  -3.673
   88   3HD1  ILE  12          HD13      ILE  12  -5.252  -5.162  -3.794
   89    H    GLN  13           H        GLN  13  -6.169  -9.439  -0.036
   90    HA   GLN  13           HA       GLN  13  -5.200  -8.802   2.547
   91   1HB   GLN  13           HB2      GLN  13  -7.411 -10.438   1.369
   92   2HB   GLN  13           HB3      GLN  13  -6.949 -10.863   2.987
   93   1HG   GLN  13           HG2      GLN  13  -7.425  -7.950   2.293
   94   2HG   GLN  13           HG3      GLN  13  -8.792  -9.049   2.505
   95   1HE2  GLN  13          HE21      GLN  13  -9.275  -7.476   4.317
   96   2HE2  GLN  13          HE22      GLN  13  -8.545  -7.838   5.872
   97    H    LYS  14           H        LYS  14  -4.689 -11.738   0.555
   98    HA   LYS  14           HA       LYS  14  -3.539 -13.234   2.728
   99   1HB   LYS  14           HB2      LYS  14  -3.168 -13.476  -0.275
  100   2HB   LYS  14           HB3      LYS  14  -2.545 -14.631   0.888
  101   1HG   LYS  14           HG2      LYS  14  -5.516 -13.924   0.770
  102   2HG   LYS  14           HG3      LYS  14  -4.786 -15.136  -0.281
  103   1HD   LYS  14           HD2      LYS  14  -3.983 -16.388   1.686
  104   2HD   LYS  14           HD3      LYS  14  -4.720 -15.183   2.771
  105   1HE   LYS  14           HE2      LYS  14  -6.950 -15.715   2.036
  106   2HE   LYS  14           HE3      LYS  14  -6.358 -16.693   0.686
  107   1HZ   LYS  14           HZ1      LYS  14  -7.111 -18.029   2.512
  108   2HZ   LYS  14           HZ2      LYS  14  -5.509 -18.279   2.234
  109   3HZ   LYS  14           HZ3      LYS  14  -5.996 -17.370   3.525
  110    H    HIS  15           H        HIS  15  -2.291 -10.509   0.957
  111    HA   HIS  15           HA       HIS  15   0.529 -11.113   1.721
  112   1HB   HIS  15           HB2      HIS  15  -0.723  -9.213  -0.274
  113   2HB   HIS  15           HB3      HIS  15   0.972  -9.162   0.200
  114    HD1  HIS  15           HD1      HIS  15   2.286 -10.128  -1.762
  115    HD2  HIS  15           HD2      HIS  15  -1.289 -12.177  -0.954
  116    HE1  HIS  15           HE1      HIS  15   2.177 -12.090  -3.390
  117    H    ASN  16           H        ASN  16   0.041 -10.732   3.979
  118    HA   ASN  16           HA       ASN  16   0.689  -8.012   4.790
  119   1HB   ASN  16           HB2      ASN  16  -1.320  -7.686   6.212
  120   2HB   ASN  16           HB3      ASN  16  -1.661  -7.705   4.492
  121   1HD2  ASN  16          HD21      ASN  16  -3.908  -8.067   5.721
  122   2HD2  ASN  16          HD22      ASN  16  -4.379  -9.751   5.631
  123    H    ASN  17           H        ASN  17   2.249 -10.114   5.220
  124    HA   ASN  17           HA       ASN  17   2.801 -10.209   7.914
  125   1HB   ASN  17           HB2      ASN  17   0.629 -12.178   7.264
  126   2HB   ASN  17           HB3      ASN  17   2.003 -12.867   8.116
  127   1HD2  ASN  17          HD21      ASN  17  -0.234 -13.106   9.434
  128   2HD2  ASN  17          HD22      ASN  17  -0.251 -12.003  10.794
  129    H    SER  18           H        SER  18   4.762 -10.000   6.842
  130    HA   SER  18           HA       SER  18   6.800 -10.775   6.360
  131   1HB   SER  18           HB2      SER  18   6.004 -12.830   7.829
  132   2HB   SER  18           HB3      SER  18   5.979 -13.681   6.276
  133    HG   SER  18           HG       SER  18   8.168 -12.335   7.488
  134    H    LYS  19           H        LYS  19   4.363 -12.774   4.637
  135    HA   LYS  19           HA       LYS  19   5.530 -13.362   2.263
  136   1HB   LYS  19           HB2      LYS  19   2.679 -12.327   2.726
  137   2HB   LYS  19           HB3      LYS  19   3.266 -13.040   1.231
  138   1HG   LYS  19           HG2      LYS  19   2.564 -14.957   1.991
  139   2HG   LYS  19           HG3      LYS  19   4.039 -15.010   2.939
  140   1HD   LYS  19           HD2      LYS  19   2.922 -14.912   4.890
  141   2HD   LYS  19           HD3      LYS  19   1.875 -13.577   4.380
  142   1HE   LYS  19           HE2      LYS  19   0.314 -15.035   3.300
  143   2HE   LYS  19           HE3      LYS  19   1.438 -16.404   3.343
  144   1HZ   LYS  19           HZ1      LYS  19  -0.078 -15.279   5.570
  145   2HZ   LYS  19           HZ2      LYS  19  -0.046 -16.820   4.996
  146   3HZ   LYS  19           HZ3      LYS  19   1.247 -16.233   5.817
  147    H    SER  20           H        SER  20   3.628 -10.345   2.653
  148    HA   SER  20           HA       SER  20   5.598  -8.556   1.961
  149   1HB   SER  20           HB2      SER  20   4.254  -9.736  -0.435
  150   2HB   SER  20           HB3      SER  20   4.189  -7.975  -0.320
  151    HG   SER  20           HG       SER  20   6.041  -8.324  -1.318
  152    H    THR  21           H        THR  21   4.765  -6.494   2.332
  153    HA   THR  21           HA       THR  21   2.062  -6.134   3.384
  154    HB   THR  21           HB       THR  21   4.386  -4.284   2.782
  155    HG1  THR  21           HG1      THR  21   5.072  -5.669   4.290
  156   1HG2  THR  21          HG21      THR  21   2.494  -3.559   4.927
  157   2HG2  THR  21          HG22      THR  21   3.454  -2.541   3.842
  158   3HG2  THR  21          HG23      THR  21   1.964  -3.268   3.247
  159    H    TRP  22           H        TRP  22   0.630  -6.484   1.573
  160    HA   TRP  22           HA       TRP  22   0.883  -4.520  -0.677
  161   1HB   TRP  22           HB2      TRP  22  -0.791  -7.017  -0.278
  162   2HB   TRP  22           HB3      TRP  22  -1.012  -5.898  -1.612
  163    HD1  TRP  22           HD1      TRP  22   2.601  -6.364  -0.884
  164    HE1  TRP  22           HE1      TRP  22   3.713  -7.621  -2.674
  165    HE3  TRP  22           HE3      TRP  22  -1.592  -8.008  -3.293
  166    HZ2  TRP  22           HZ2      TRP  22   2.910  -9.284  -4.984
  167    HZ3  TRP  22           HZ3      TRP  22  -1.398  -9.499  -5.238
  168    HH2  TRP  22           HH2      TRP  22   0.856 -10.091  -6.153
  169    H    LEU  23           H        LEU  23  -1.485  -3.762  -1.336
  170    HA   LEU  23           HA       LEU  23  -3.528  -3.489   0.533
  171   1HB   LEU  23           HB2      LEU  23  -3.161  -0.997   1.085
  172   2HB   LEU  23           HB3      LEU  23  -2.327  -2.201   2.006
  173    HG   LEU  23           HG       LEU  23  -0.281  -1.812   0.397
  174   1HD1  LEU  23          HD11      LEU  23  -1.996   0.587  -0.168
  175   2HD1  LEU  23          HD12      LEU  23  -0.255   0.556  -0.462
  176   3HD1  LEU  23          HD13      LEU  23  -1.314  -0.539  -1.360
  177   1HD2  LEU  23          HD21      LEU  23  -1.342  -0.033   2.573
  178   2HD2  LEU  23          HD22      LEU  23  -0.007  -1.206   2.586
  179   3HD2  LEU  23          HD23      LEU  23   0.188   0.339   1.731
  180    H    ILE  24           H        ILE  24  -5.020  -1.644  -0.153
  181    HA   ILE  24           HA       ILE  24  -4.786  -1.163  -3.112
  182    HB   ILE  24           HB       ILE  24  -7.217  -1.600  -1.394
  183   1HG1  ILE  24          HG12      ILE  24  -6.496  -3.180  -3.838
  184   2HG1  ILE  24          HG13      ILE  24  -5.752  -3.577  -2.282
  185   1HG2  ILE  24          HG21      ILE  24  -8.181  -1.534  -3.953
  186   2HG2  ILE  24          HG22      ILE  24  -8.224  -0.170  -2.831
  187   3HG2  ILE  24          HG23      ILE  24  -6.933  -0.290  -4.048
  188   1HD1  ILE  24          HD11      ILE  24  -7.783  -3.977  -1.157
  189   2HD1  ILE  24          HD12      ILE  24  -8.765  -3.241  -2.427
  190   3HD1  ILE  24          HD13      ILE  24  -7.978  -4.800  -2.710
  191    H    LEU  25           H        LEU  25  -4.317   0.832  -3.572
  192    HA   LEU  25           HA       LEU  25  -5.373   3.162  -1.987
  193   1HB   LEU  25           HB2      LEU  25  -2.699   2.372  -2.949
  194   2HB   LEU  25           HB3      LEU  25  -3.140   4.041  -3.306
  195    HG   LEU  25           HG       LEU  25  -3.169   4.691  -1.152
  196   1HD1  LEU  25          HD11      LEU  25  -2.832   2.818   0.658
  197   2HD1  LEU  25          HD12      LEU  25  -4.419   3.232  -0.014
  198   3HD1  LEU  25          HD13      LEU  25  -3.562   1.822  -0.621
  199   1HD2  LEU  25          HD21      LEU  25  -0.910   4.012  -0.322
  200   2HD2  LEU  25          HD22      LEU  25  -0.876   2.666  -1.454
  201   3HD2  LEU  25          HD23      LEU  25  -0.937   4.332  -2.056
  202    H    HIS  26           H        HIS  26  -7.216   3.364  -3.246
  203    HA   HIS  26           HA       HIS  26  -8.446   4.173  -4.962
  204   1HB   HIS  26           HB2      HIS  26  -5.917   5.135  -6.330
  205   2HB   HIS  26           HB3      HIS  26  -7.565   5.717  -6.535
  206    HD1  HIS  26           HD1      HIS  26  -8.469   7.401  -4.585
  207    HD2  HIS  26           HD2      HIS  26  -4.548   5.942  -4.196
  208    HE1  HIS  26           HE1      HIS  26  -7.337   8.830  -2.797
  209    H    TYR  27           H        TYR  27  -8.120   1.576  -5.013
  210    HA   TYR  27           HA       TYR  27  -8.286  -0.297  -6.268
  211   1HB   TYR  27           HB2      TYR  27  -8.680   1.538  -8.650
  212   2HB   TYR  27           HB3      TYR  27  -9.282  -0.094  -8.465
  213    HD1  TYR  27           HD1      TYR  27 -10.325   0.224  -5.522
  214    HD2  TYR  27           HD2      TYR  27 -10.769   2.600  -9.103
  215    HE1  TYR  27           HE1      TYR  27 -12.535   0.968  -4.755
  216    HE2  TYR  27           HE2      TYR  27 -12.997   3.332  -8.322
  217    HH   TYR  27           HH       TYR  27 -14.585   3.197  -6.644
  218    H    LYS  28           H        LYS  28  -5.607   1.089  -6.034
  219    HA   LYS  28           HA       LYS  28  -4.199  -0.369  -8.214
  220   1HB   LYS  28           HB2      LYS  28  -3.691   2.377  -7.084
  221   2HB   LYS  28           HB3      LYS  28  -2.468   1.454  -7.963
  222   1HG   LYS  28           HG2      LYS  28  -3.722   1.434  -9.944
  223   2HG   LYS  28           HG3      LYS  28  -5.247   1.833  -9.131
  224   1HD   LYS  28           HD2      LYS  28  -4.321   4.091  -8.565
  225   2HD   LYS  28           HD3      LYS  28  -2.942   3.749  -9.621
  226   1HE   LYS  28           HE2      LYS  28  -5.924   3.896 -10.330
  227   2HE   LYS  28           HE3      LYS  28  -4.657   5.005 -10.883
  228   1HZ   LYS  28           HZ1      LYS  28  -5.107   2.197 -11.611
  229   2HZ   LYS  28           HZ2      LYS  28  -5.257   3.439 -12.592
  230   3HZ   LYS  28           HZ3      LYS  28  -3.741   2.989 -12.085
  231    H    VAL  29           H        VAL  29  -3.020  -1.954  -7.431
  232    HA   VAL  29           HA       VAL  29  -2.556  -2.159  -4.575
  233    HB   VAL  29           HB       VAL  29  -1.734  -4.166  -6.680
  234   1HG1  VAL  29          HG11      VAL  29  -0.933  -4.408  -4.252
  235   2HG1  VAL  29          HG12      VAL  29  -2.633  -4.548  -3.795
  236   3HG1  VAL  29          HG13      VAL  29  -1.899  -5.758  -4.864
  237   1HG2  VAL  29          HG21      VAL  29  -3.978  -3.881  -7.203
  238   2HG2  VAL  29          HG22      VAL  29  -3.935  -5.263  -6.106
  239   3HG2  VAL  29          HG23      VAL  29  -4.464  -3.679  -5.498
  240    H    TYR  30           H        TYR  30  -0.608  -2.036  -3.588
  241    HA   TYR  30           HA       TYR  30   1.800  -1.374  -5.223
  242   1HB   TYR  30           HB2      TYR  30   0.801  -0.074  -2.669
  243   2HB   TYR  30           HB3      TYR  30   2.339   0.264  -3.457
  244    HD1  TYR  30           HD1      TYR  30  -1.316   0.735  -3.631
  245    HD2  TYR  30           HD2      TYR  30   2.349   1.260  -5.753
  246    HE1  TYR  30           HE1      TYR  30  -2.405   2.427  -5.116
  247    HE2  TYR  30           HE2      TYR  30   1.231   2.928  -7.255
  248    HH   TYR  30           HH       TYR  30  -0.566   4.421  -7.385
  249    H    ASP  31           H        ASP  31   3.281  -2.945  -4.899
  250    HA   ASP  31           HA       ASP  31   3.246  -4.573  -2.409
  251   1HB   ASP  31           HB2      ASP  31   3.529  -5.805  -4.488
  252   2HB   ASP  31           HB3      ASP  31   4.866  -4.747  -4.980
  253    H    LEU  32           H        LEU  32   4.092  -3.251  -0.771
  254    HA   LEU  32           HA       LEU  32   6.623  -1.820  -1.381
  255   1HB   LEU  32           HB2      LEU  32   4.677  -1.374   0.903
  256   2HB   LEU  32           HB3      LEU  32   6.177  -0.557   0.611
  257    HG   LEU  32           HG       LEU  32   4.687  -0.442  -1.856
  258   1HD1  LEU  32          HD11      LEU  32   2.599   0.554  -1.203
  259   2HD1  LEU  32          HD12      LEU  32   2.715  -0.984  -0.346
  260   3HD1  LEU  32          HD13      LEU  32   3.046   0.535   0.513
  261   1HD2  LEU  32          HD21      LEU  32   6.365   1.152  -0.959
  262   2HD2  LEU  32          HD22      LEU  32   4.889   1.929  -1.546
  263   3HD2  LEU  32          HD23      LEU  32   5.156   1.734   0.205
  264    H    THR  33           H        THR  33   5.632  -2.844   1.807
  265    HA   THR  33           HA       THR  33   6.554  -4.051   3.380
  266    HB   THR  33           HB       THR  33   6.300  -5.817   1.244
  267    HG1  THR  33           HG1      THR  33   6.752  -7.265   3.256
  268   1HG2  THR  33          HG21      THR  33   8.983  -6.388   2.550
  269   2HG2  THR  33          HG22      THR  33   8.038  -7.487   1.526
  270   3HG2  THR  33          HG23      THR  33   8.685  -6.007   0.830
  271    H    LYS  34           H        LYS  34   9.030  -3.819   0.805
  272    HA   LYS  34           HA       LYS  34  11.134  -3.645   2.815
  273   1HB   LYS  34           HB2      LYS  34  11.102  -4.628   0.279
  274   2HB   LYS  34           HB3      LYS  34  11.621  -2.966  -0.067
  275   1HG   LYS  34           HG2      LYS  34  13.366  -3.224   1.727
  276   2HG   LYS  34           HG3      LYS  34  12.866  -4.914   1.942
  277   1HD   LYS  34           HD2      LYS  34  13.683  -5.591  -0.135
  278   2HD   LYS  34           HD3      LYS  34  13.676  -3.944  -0.809
  279   1HE   LYS  34           HE2      LYS  34  15.532  -3.227   0.439
  280   2HE   LYS  34           HE3      LYS  34  15.432  -4.559   1.598
  281   1HZ   LYS  34           HZ1      LYS  34  15.905  -5.369  -1.116
  282   2HZ   LYS  34           HZ2      LYS  34  17.117  -4.494  -0.424
  283   3HZ   LYS  34           HZ3      LYS  34  16.594  -5.879   0.292
  284    H    PHE  35           H        PHE  35   8.797  -1.545   1.708
  285    HA   PHE  35           HA       PHE  35  10.493   0.869   1.904
  286   1HB   PHE  35           HB2      PHE  35   8.688   0.356   0.030
  287   2HB   PHE  35           HB3      PHE  35   7.575   0.813   1.289
  288    HD1  PHE  35           HD1      PHE  35  10.888   2.107  -0.053
  289    HD2  PHE  35           HD2      PHE  35   6.877   3.100   1.216
  290    HE1  PHE  35           HE1      PHE  35  11.218   4.421  -0.817
  291    HE2  PHE  35           HE2      PHE  35   7.236   5.433   0.479
  292    HZ   PHE  35           HZ       PHE  35   9.383   6.090  -0.598
  293    H    LEU  36           H        LEU  36   8.846  -1.197   4.043
  294    HA   LEU  36           HA       LEU  36   7.177   0.600   5.464
  295   1HB   LEU  36           HB2      LEU  36   8.811  -1.797   6.341
  296   2HB   LEU  36           HB3      LEU  36   7.621  -1.026   7.376
  297    HG   LEU  36           HG       LEU  36   6.946  -2.191   4.654
  298   1HD1  LEU  36          HD11      LEU  36   6.421  -4.211   5.677
  299   2HD1  LEU  36          HD12      LEU  36   7.779  -3.729   6.689
  300   3HD1  LEU  36          HD13      LEU  36   6.119  -3.464   7.262
  301   1HD2  LEU  36          HD21      LEU  36   4.605  -2.180   5.779
  302   2HD2  LEU  36          HD22      LEU  36   5.293  -0.942   6.841
  303   3HD2  LEU  36          HD23      LEU  36   5.254  -0.687   5.078
  304    H    GLU  37           H        GLU  37  10.594  -0.332   6.173
  305    HA   GLU  37           HA       GLU  37  10.936   1.598   8.233
  306   1HB   GLU  37           HB2      GLU  37  13.310   1.076   8.034
  307   2HB   GLU  37           HB3      GLU  37  12.332  -0.393   8.024
  308   1HG   GLU  37           HG2      GLU  37  12.573  -0.466   5.491
  309   2HG   GLU  37           HG3      GLU  37  13.659   0.931   5.623
  310    H    GLU  38           H        GLU  38  11.459   1.731   4.731
  311    HA   GLU  38           HA       GLU  38  12.853   4.198   4.569
  312   1HB   GLU  38           HB2      GLU  38  10.952   2.860   2.639
  313   2HB   GLU  38           HB3      GLU  38  12.022   4.164   2.204
  314   1HG   GLU  38           HG2      GLU  38  13.509   1.945   3.488
  315   2HG   GLU  38           HG3      GLU  38  12.656   1.442   2.030
  316    H    HIS  39           HN       HIS  39   9.397   3.375   4.671
  317    HA   HIS  39           HA       HIS  39   8.365   5.836   3.845
  318   1HB   HIS  39           HB2      HIS  39   7.077   3.774   3.909
  319   2HB   HIS  39           HB3      HIS  39   7.113   3.780   5.677
  320    HD1  HIS  39           HND      HIS  39   5.093   4.893   6.741
  321    HD2  HIS  39           HD       HIS  39   5.782   5.996   2.745
  322    HE1  HIS  39           HE       HIS  39   3.070   6.230   6.008
  323    HA   PRO  40           HA       PRO  40   9.564   7.951   7.658
  324   1HB   PRO  40           HB2      PRO  40   9.060  10.543   6.935
  325   2HB   PRO  40           HB3      PRO  40  10.450   9.595   6.340
  326   1HG   PRO  40           HG2      PRO  40   7.853  10.178   4.921
  327   2HG   PRO  40           HG3      PRO  40   9.513  10.154   4.258
  328   1HD   PRO  40           HD2      PRO  40   7.686   8.064   4.056
  329   2HD   PRO  40           HD3      PRO  40   9.460   7.863   3.971
  330    H    GLY  41           H        GLY  41   6.364   7.691   6.397
  331   1HA   GLY  41           HA1      GLY  41   4.972   9.342   8.314
  332   2HA   GLY  41           HA2      GLY  41   4.295   8.070   7.300
  333    H    GLY  42           H        GLY  42   3.951   6.021   8.155
  334   1HA   GLY  42           HA1      GLY  42   5.207   5.288  10.741
  335   2HA   GLY  42           HA2      GLY  42   3.442   5.254  10.609
  336    H    GLU  43           H        GLU  43   6.176   3.359  10.313
  337    HA   GLU  43           HA       GLU  43   5.483   1.665   8.104
  338   1HB   GLU  43           HB2      GLU  43   7.046   0.138   9.072
  339   2HB   GLU  43           HB3      GLU  43   7.690   1.775   9.131
  340   1HG   GLU  43           HG2      GLU  43   8.306   1.019  11.196
  341   2HG   GLU  43           HG3      GLU  43   6.753   1.710  11.650
  342    H    ALA  44           H        ALA  44   4.733   1.627  11.592
  343    HA   ALA  44           HA       ALA  44   3.206  -0.665  11.704
  344   1HB   ALA  44           HB1      ALA  44   3.942   0.668  13.677
  345   2HB   ALA  44           HB2      ALA  44   2.703   1.888  13.301
  346   3HB   ALA  44           HB3      ALA  44   2.224   0.233  13.738
  347    H    VAL  45           H        VAL  45   2.042   2.709  11.030
  348    HA   VAL  45           HA       VAL  45  -0.616   1.782  10.546
  349    HB   VAL  45           HB       VAL  45   0.035   4.178  11.056
  350   1HG1  VAL  45          HG11      VAL  45   0.203   5.682   9.099
  351   2HG1  VAL  45          HG12      VAL  45   1.620   4.667   9.321
  352   3HG1  VAL  45          HG13      VAL  45   0.455   4.289   8.036
  353   1HG2  VAL  45          HG21      VAL  45  -2.091   3.179   9.191
  354   2HG2  VAL  45          HG22      VAL  45  -2.208   3.821  10.828
  355   3HG2  VAL  45          HG23      VAL  45  -1.952   4.926   9.472
  356    H    LEU  46           H        LEU  46   2.317   2.214   8.199
  357    HA   LEU  46           HA       LEU  46   0.669   1.464   6.030
  358   1HB   LEU  46           HB2      LEU  46   3.398   2.017   6.511
  359   2HB   LEU  46           HB3      LEU  46   3.380   0.380   5.874
  360    HG   LEU  46           HG       LEU  46   1.831   2.661   4.564
  361   1HD1  LEU  46          HD11      LEU  46   3.893   3.548   4.517
  362   2HD1  LEU  46          HD12      LEU  46   4.770   2.014   4.369
  363   3HD1  LEU  46          HD13      LEU  46   3.889   2.704   2.976
  364   1HD2  LEU  46          HD21      LEU  46   1.220   0.418   3.842
  365   2HD2  LEU  46          HD22      LEU  46   2.111   1.253   2.552
  366   3HD2  LEU  46          HD23      LEU  46   2.922   0.006   3.527
  367    H    ARG  47           H        ARG  47   2.112  -0.613   8.531
  368    HA   ARG  47           HA       ARG  47   1.564  -3.036   7.036
  369   1HB   ARG  47           HB2      ARG  47   3.472  -2.773   8.625
  370   2HB   ARG  47           HB3      ARG  47   2.319  -2.613   9.950
  371   1HG   ARG  47           HG2      ARG  47   3.161  -4.856   9.948
  372   2HG   ARG  47           HG3      ARG  47   1.468  -4.925   9.480
  373   1HD   ARG  47           HD2      ARG  47   2.017  -6.016   7.547
  374   2HD   ARG  47           HD3      ARG  47   3.008  -4.661   7.046
  375    HE   ARG  47           HE       ARG  47   4.894  -5.699   7.561
  376   1HH1  ARG  47          HH11      ARG  47   5.600  -8.621   9.403
  377   2HH1  ARG  47          HH12      ARG  47   6.254  -7.339   8.437
  378   1HH2  ARG  47          HH21      ARG  47   3.194  -8.714   9.768
  379   2HH2  ARG  47          HH22      ARG  47   2.262  -7.393   9.163
  380    H    ALA  48           H        ALA  48  -0.009  -1.305   9.710
  381    HA   ALA  48           HA       ALA  48  -1.936  -3.301  10.377
  382   1HB   ALA  48           HB1      ALA  48  -3.115  -1.367  11.430
  383   2HB   ALA  48           HB2      ALA  48  -1.379  -1.412  11.828
  384   3HB   ALA  48           HB3      ALA  48  -1.975  -0.264  10.611
  385    H    GLN  49           H        GLN  49  -1.919  -0.619   7.987
  386    HA   GLN  49           HA       GLN  49  -4.630  -1.229   7.051
  387   1HB   GLN  49           HB2      GLN  49  -2.379   0.678   6.329
  388   2HB   GLN  49           HB3      GLN  49  -3.819   0.549   5.365
  389   1HG   GLN  49           HG2      GLN  49  -3.930   1.158   8.339
  390   2HG   GLN  49           HG3      GLN  49  -3.879   2.376   7.059
  391   1HE2  GLN  49          HE21      GLN  49  -6.095   0.831   9.036
  392   2HE2  GLN  49          HE22      GLN  49  -7.476   0.995   7.961
  393    H    ALA  50           H        ALA  50  -1.501  -2.614   6.534
  394    HA   ALA  50           HA       ALA  50  -1.742  -3.127   3.773
  395   1HB   ALA  50           HB1      ALA  50   0.040  -4.750   4.055
  396   2HB   ALA  50           HB2      ALA  50   0.353  -3.242   4.931
  397   3HB   ALA  50           HB3      ALA  50  -0.149  -4.709   5.809
  398    H    GLY  51           H        GLY  51  -2.270  -5.011   2.671
  399   1HA   GLY  51           HA1      GLY  51  -3.577  -6.775   2.068
  400   2HA   GLY  51           HA2      GLY  51  -3.594  -7.336   3.742
  401    H    GLY  52           H        GLY  52  -4.844  -4.421   1.982
  402   1HA   GLY  52           HA1      GLY  52  -7.534  -5.108   2.102
  403   2HA   GLY  52           HA2      GLY  52  -7.175  -4.241   3.618
  404    H    ASP  53           H        ASP  53  -8.785  -2.714   2.532
  405    HA   ASP  53           HA       ASP  53  -7.645  -0.950   0.502
  406   1HB   ASP  53           HB2      ASP  53  -9.605   0.227   0.553
  407   2HB   ASP  53           HB3      ASP  53 -10.185  -1.402   0.914
  408    H    ALA  54           H        ALA  54  -6.471   0.820   0.904
  409    HA   ALA  54           HA       ALA  54  -6.537   1.930   3.653
  410   1HB   ALA  54           HB1      ALA  54  -3.946   1.564   2.087
  411   2HB   ALA  54           HB2      ALA  54  -4.137   2.206   3.733
  412   3HB   ALA  54           HB3      ALA  54  -4.463   0.475   3.367
  413    H    THR  55           H        THR  55  -7.750   2.482   0.973
  414    HA   THR  55           HA       THR  55  -6.240   4.613  -0.220
  415    HB   THR  55           HB       THR  55  -9.222   4.027  -0.499
  416    HG1  THR  55           HG1      THR  55  -7.330   2.350  -1.030
  417   1HG2  THR  55          HG21      THR  55  -8.455   6.203  -1.454
  418   2HG2  THR  55          HG22      THR  55  -7.116   5.348  -2.250
  419   3HG2  THR  55          HG23      THR  55  -8.801   5.041  -2.751
  420    H    ALA  56           H        ALA  56  -9.069   4.540   1.974
  421    HA   ALA  56           HA       ALA  56  -9.342   7.337   2.302
  422   1HB   ALA  56           HB1      ALA  56 -10.693   6.809   4.218
  423   2HB   ALA  56           HB2      ALA  56 -11.040   5.637   2.935
  424   3HB   ALA  56           HB3      ALA  56 -10.022   5.166   4.316
  425    H    ASN  57           H        ASN  57  -7.201   4.980   3.890
  426    HA   ASN  57           HA       ASN  57  -6.377   6.784   6.009
  427   1HB   ASN  57           HB2      ASN  57  -5.907   4.002   5.222
  428   2HB   ASN  57           HB3      ASN  57  -4.378   4.779   5.583
  429   1HD2  ASN  57          HD21      ASN  57  -7.574   3.969   6.923
  430   2HD2  ASN  57          HD22      ASN  57  -7.091   4.155   8.600
  431    H    PHE  58           H        PHE  58  -4.906   5.628   2.998
  432    HA   PHE  58           HA       PHE  58  -2.518   7.130   3.004
  433   1HB   PHE  58           HB2      PHE  58  -2.867   5.290   1.512
  434   2HB   PHE  58           HB3      PHE  58  -4.304   6.023   0.820
  435    HD1  PHE  58           HD1      PHE  58  -0.597   6.228   0.915
  436    HD2  PHE  58           HD2      PHE  58  -4.213   7.608  -0.962
  437    HE1  PHE  58           HE1      PHE  58   0.733   7.111  -0.980
  438    HE2  PHE  58           HE2      PHE  58  -2.903   8.441  -2.881
  439    HZ   PHE  58           HZ       PHE  58  -0.412   8.202  -2.899
  440    H    GLU  59           H        GLU  59  -5.769   7.950   1.649
  441    HA   GLU  59           HA       GLU  59  -4.846  10.523   0.733
  442   1HB   GLU  59           HB2      GLU  59  -6.993  10.846  -0.137
  443   2HB   GLU  59           HB3      GLU  59  -6.515   9.164  -0.420
  444   1HG   GLU  59           HG2      GLU  59  -8.611   8.712   0.316
  445   2HG   GLU  59           HG3      GLU  59  -7.874   8.891   1.911
  446    H    ALA  60           H        ALA  60  -6.647   9.386   3.595
  447    HA   ALA  60           HA       ALA  60  -7.492  11.713   4.735
  448   1HB   ALA  60           HB1      ALA  60  -6.210   9.288   6.049
  449   2HB   ALA  60           HB2      ALA  60  -6.809  10.653   6.997
  450   3HB   ALA  60           HB3      ALA  60  -7.925   9.742   5.974
  451    H    VAL  61           H        VAL  61  -4.157  10.423   4.982
  452    HA   VAL  61           HA       VAL  61  -3.219  12.954   6.170
  453    HB   VAL  61           HB       VAL  61  -1.096  11.972   6.323
  454   1HG1  VAL  61          HG11      VAL  61  -2.901   9.622   6.928
  455   2HG1  VAL  61          HG12      VAL  61  -1.611  10.351   7.909
  456   3HG1  VAL  61          HG13      VAL  61  -3.164  11.168   7.763
  457   1HG2  VAL  61          HG21      VAL  61  -2.127   9.748   4.511
  458   2HG2  VAL  61          HG22      VAL  61  -0.734  10.827   4.242
  459   3HG2  VAL  61          HG23      VAL  61  -0.690   9.615   5.519
  460    H    GLY  62           H        GLY  62  -3.138  11.317   2.980
  461   1HA   GLY  62           HA1      GLY  62  -3.121  12.394   0.932
  462   2HA   GLY  62           HA2      GLY  62  -2.735  13.948   1.692
  463    H    HIS  63           HN       HIS  63  -1.327  13.178  -0.570
  464    HA   HIS  63           HA       HIS  63   1.398  12.551   0.363
  465   1HB   HIS  63           HB2      HIS  63  -0.401  10.732  -1.287
  466   2HB   HIS  63           HB3      HIS  63   1.335  10.688  -1.474
  467    HD1  HIS  63           HND      HIS  63  -1.336   9.723   1.179
  468    HD2  HIS  63           HD       HIS  63   2.811   9.634   0.465
  469    HE1  HIS  63           HE       HIS  63  -0.345   8.188   2.906
  470    H    SER  64           H        SER  64   2.909  13.544  -0.948
  471    HA   SER  64           HA       SER  64   1.865  15.615  -2.656
  472   1HB   SER  64           HB2      SER  64   4.133  16.389  -2.715
  473   2HB   SER  64           HB3      SER  64   3.871  15.719  -1.103
  474    HG   SER  64           HG       SER  64   5.644  14.674  -1.659
  475    H    THR  65           H        THR  65   3.552  15.952  -4.784
  476    HA   THR  65           HA       THR  65   2.608  14.143  -6.800
  477    HB   THR  65           HB       THR  65   4.334  15.369  -8.155
  478    HG1  THR  65           HG1      THR  65   5.890  16.315  -7.063
  479   1HG2  THR  65          HG21      THR  65   2.858  17.391  -6.421
  480   2HG2  THR  65          HG22      THR  65   3.190  17.452  -8.160
  481   3HG2  THR  65          HG23      THR  65   1.974  16.323  -7.530
  482    H    ASP  66           H        ASP  66   5.788  14.627  -5.300
  483    HA   ASP  66           HA       ASP  66   7.187  12.552  -6.470
  484   1HB   ASP  66           HB2      ASP  66   7.749  14.400  -4.492
  485   2HB   ASP  66           HB3      ASP  66   7.707  12.917  -3.534
  486    H    ALA  67           H        ALA  67   5.155  12.403  -3.546
  487    HA   ALA  67           HA       ALA  67   5.471   9.604  -3.057
  488   1HB   ALA  67           HB1      ALA  67   3.468   9.850  -1.676
  489   2HB   ALA  67           HB2      ALA  67   4.633  11.156  -1.368
  490   3HB   ALA  67           HB3      ALA  67   3.202  11.477  -2.354
  491    H    ARG  68           H        ARG  68   2.975  11.416  -4.904
  492    HA   ARG  68           HA       ARG  68   1.272   9.263  -5.524
  493   1HB   ARG  68           HB2      ARG  68   1.662  12.020  -6.479
  494   2HB   ARG  68           HB3      ARG  68   1.214  10.940  -7.779
  495   1HG   ARG  68           HG2      ARG  68  -0.741  11.921  -6.882
  496   2HG   ARG  68           HG3      ARG  68  -0.780  10.187  -6.543
  497   1HD   ARG  68           HD2      ARG  68  -0.847  10.593  -4.262
  498   2HD   ARG  68           HD3      ARG  68   0.443  11.769  -4.398
  499    HE   ARG  68           HE       ARG  68  -0.984  13.425  -4.184
  500   1HH1  ARG  68          HH11      ARG  68  -4.465  13.737  -4.840
  501   2HH1  ARG  68          HH12      ARG  68  -3.005  14.607  -4.501
  502   1HH2  ARG  68          HH21      ARG  68  -4.365  11.390  -5.229
  503   2HH2  ARG  68          HH22      ARG  68  -2.805  10.622  -5.215
  504    H    GLU  69           H        GLU  69   4.342  10.377  -6.940
  505    HA   GLU  69           HA       GLU  69   4.237   8.595  -9.292
  506   1HB   GLU  69           HB2      GLU  69   5.948  10.779  -8.253
  507   2HB   GLU  69           HB3      GLU  69   6.748   9.593  -9.287
  508   1HG   GLU  69           HG2      GLU  69   4.105  10.708 -10.236
  509   2HG   GLU  69           HG3      GLU  69   5.534  11.744 -10.297
  510    H    LEU  70           H        LEU  70   5.926   8.783  -6.159
  511    HA   LEU  70           HA       LEU  70   7.634   6.608  -6.544
  512   1HB   LEU  70           HB2      LEU  70   7.670   8.323  -4.722
  513   2HB   LEU  70           HB3      LEU  70   6.264   7.551  -4.030
  514    HG   LEU  70           HG       LEU  70   7.715   6.341  -2.793
  515   1HD1  LEU  70          HD11      LEU  70   7.371   4.545  -4.202
  516   2HD1  LEU  70          HD12      LEU  70   8.642   5.048  -5.359
  517   3HD1  LEU  70          HD13      LEU  70   9.075   4.530  -3.728
  518   1HD2  LEU  70          HD21      LEU  70  10.136   6.473  -3.026
  519   2HD2  LEU  70          HD22      LEU  70   9.916   7.418  -4.525
  520   3HD2  LEU  70          HD23      LEU  70   9.299   8.035  -2.962
  521    H    SER  71           H        SER  71   4.330   6.778  -5.111
  522    HA   SER  71           HA       SER  71   3.820   4.036  -4.769
  523   1HB   SER  71           HB2      SER  71   1.522   4.512  -4.796
  524   2HB   SER  71           HB3      SER  71   2.354   5.878  -4.037
  525    HG   SER  71           HG       SER  71   1.528   5.884  -6.746
  526    H    LYS  72           H        LYS  72   3.369   5.868  -7.803
  527    HA   LYS  72           HA       LYS  72   2.564   3.675  -9.378
  528   1HB   LYS  72           HB2      LYS  72   3.987   6.294  -9.886
  529   2HB   LYS  72           HB3      LYS  72   3.919   5.142 -11.190
  530   1HG   LYS  72           HG2      LYS  72   1.362   5.613  -9.664
  531   2HG   LYS  72           HG3      LYS  72   1.978   7.003 -10.560
  532   1HD   LYS  72           HD2      LYS  72   1.803   6.001 -12.626
  533   2HD   LYS  72           HD3      LYS  72   2.053   4.364 -11.987
  534   1HE   LYS  72           HE2      LYS  72  -0.210   4.374 -10.999
  535   2HE   LYS  72           HE3      LYS  72  -0.542   5.940 -11.751
  536   1HZ   LYS  72           HZ1      LYS  72   0.355   3.593 -13.296
  537   2HZ   LYS  72           HZ2      LYS  72  -1.235   3.885 -13.022
  538   3HZ   LYS  72           HZ3      LYS  72  -0.334   4.971 -13.871
  539    H    THR  73           H        THR  73   5.899   4.580  -8.409
  540    HA   THR  73           HA       THR  73   7.191   2.555 -10.000
  541    HB   THR  73           HB       THR  73   8.009   4.390  -7.770
  542    HG1  THR  73           HG1      THR  73   8.105   4.919  -9.978
  543   1HG2  THR  73          HG21      THR  73   9.062   2.359  -6.958
  544   2HG2  THR  73          HG22      THR  73   9.718   2.021  -8.581
  545   3HG2  THR  73          HG23      THR  73  10.253   3.450  -7.673
  546    H    PHE  74           H        PHE  74   5.473   2.352  -7.001
  547    HA   PHE  74           HA       PHE  74   6.441  -0.456  -6.557
  548   1HB   PHE  74           HB2      PHE  74   4.877   1.482  -4.823
  549   2HB   PHE  74           HB3      PHE  74   4.978  -0.237  -4.460
  550    HD1  PHE  74           HD1      PHE  74   6.350   2.718  -3.452
  551    HD2  PHE  74           HD2      PHE  74   7.457  -1.280  -4.599
  552    HE1  PHE  74           HE1      PHE  74   8.463   2.934  -2.184
  553    HE2  PHE  74           HE2      PHE  74   9.593  -1.045  -3.377
  554    HZ   PHE  74           HZ       PHE  74  10.118   1.075  -2.185
  555    H    ILE  75           H        ILE  75   4.125   1.043  -8.435
  556    HA   ILE  75           HA       ILE  75   1.815  -0.423  -7.670
  557    HB   ILE  75           HB       ILE  75   2.184   1.566  -9.346
  558   1HG1  ILE  75          HG12      ILE  75  -0.033  -0.465  -9.201
  559   2HG1  ILE  75          HG13      ILE  75   0.175   1.110  -8.402
  560   1HG2  ILE  75          HG21      ILE  75   1.908   1.007 -11.668
  561   2HG2  ILE  75          HG22      ILE  75   3.323   0.140 -11.092
  562   3HG2  ILE  75          HG23      ILE  75   1.779  -0.724 -11.304
  563   1HD1  ILE  75          HD11      ILE  75  -1.405   1.480 -10.086
  564   2HD1  ILE  75          HD12      ILE  75   0.132   2.191 -10.632
  565   3HD1  ILE  75          HD13      ILE  75  -0.431   0.629 -11.305
  566    H    ILE  76           H        ILE  76   1.221  -2.534  -8.010
  567    HA   ILE  76           HA       ILE  76   2.960  -4.212  -9.820
  568    HB   ILE  76           HB       ILE  76   1.830  -6.102  -8.445
  569   1HG1  ILE  76          HG12      ILE  76   1.668  -3.874  -6.362
  570   2HG1  ILE  76          HG13      ILE  76   0.286  -4.450  -7.283
  571   1HG2  ILE  76          HG21      ILE  76   3.758  -5.848  -6.791
  572   2HG2  ILE  76          HG22      ILE  76   4.182  -5.718  -8.491
  573   3HG2  ILE  76          HG23      ILE  76   4.053  -4.250  -7.501
  574   1HD1  ILE  76          HD11      ILE  76   0.149  -6.414  -6.132
  575   2HD1  ILE  76          HD12      ILE  76   1.894  -6.557  -5.907
  576   3HD1  ILE  76          HD13      ILE  76   0.970  -5.448  -4.885
  577    H    GLY  77           H        GLY  77  -0.135  -2.757  -9.617
  578   1HA   GLY  77           HA1      GLY  77  -1.007  -3.356 -12.128
  579   2HA   GLY  77           HA2      GLY  77  -1.549  -4.758 -11.174
  580    H    GLU  78           H        GLU  78  -3.654  -4.420 -10.895
  581    HA   GLU  78           HA       GLU  78  -4.503  -2.045  -9.413
  582   1HB   GLU  78           HB2      GLU  78  -5.219  -2.672 -12.265
  583   2HB   GLU  78           HB3      GLU  78  -6.529  -2.177 -11.192
  584   1HG   GLU  78           HG2      GLU  78  -5.015  -0.212 -10.556
  585   2HG   GLU  78           HG3      GLU  78  -4.073  -0.617 -12.007
  586    H    LEU  79           H        LEU  79  -6.807  -2.242  -8.840
  587    HA   LEU  79           HA       LEU  79  -7.191  -4.689  -7.352
  588   1HB   LEU  79           HB2      LEU  79  -7.924  -2.529  -6.502
  589   2HB   LEU  79           HB3      LEU  79  -8.854  -2.248  -7.986
  590    HG   LEU  79           HG       LEU  79 -10.250  -4.326  -7.303
  591   1HD1  LEU  79          HD11      LEU  79  -8.964  -3.667  -4.642
  592   2HD1  LEU  79          HD12      LEU  79 -10.236  -4.865  -4.903
  593   3HD1  LEU  79          HD13      LEU  79  -8.626  -5.137  -5.572
  594   1HD2  LEU  79          HD21      LEU  79 -10.774  -2.201  -5.312
  595   2HD2  LEU  79          HD22      LEU  79 -10.706  -1.700  -7.017
  596   3HD2  LEU  79          HD23      LEU  79 -11.818  -2.956  -6.536
  597    H    HIS  80           H        HIS  80  -8.468  -6.425  -7.902
  598    HA   HIS  80           HA       HIS  80  -9.147  -7.009 -10.559
  599   1HB   HIS  80           HB2      HIS  80  -8.928  -8.457  -8.434
  600   2HB   HIS  80           HB3      HIS  80 -10.664  -8.190  -8.227
  601    HD1  HIS  80           HD1      HIS  80 -12.137  -9.712  -9.905
  602    HD2  HIS  80           HD2      HIS  80  -7.977  -9.847 -10.478
  603    HE1  HIS  80           HE1      HIS  80 -11.724 -11.523 -11.593
  604    HA   PRO  81           HA       PRO  81 -12.883  -4.691 -11.183
  605   1HB   PRO  81           HB2      PRO  81 -13.888  -5.945 -13.409
  606   2HB   PRO  81           HB3      PRO  81 -12.500  -4.824 -13.424
  607   1HG   PRO  81           HG2      PRO  81 -12.451  -7.845 -13.435
  608   2HG   PRO  81           HG3      PRO  81 -11.434  -6.717 -14.381
  609   1HD   PRO  81           HD2      PRO  81 -10.626  -7.963 -12.100
  610   2HD   PRO  81           HD3      PRO  81 -10.004  -6.365 -12.592
  611    H    ASP  82           H        ASP  82 -12.775  -7.931 -10.121
  612    HA   ASP  82           HA       ASP  82 -15.647  -8.404  -9.964
  613   1HB   ASP  82           HB2      ASP  82 -13.977 -10.233 -10.036
  614   2HB   ASP  82           HB3      ASP  82 -13.344  -9.691  -8.439
  615    H    ASP  83           H        ASP  83 -13.149  -6.902  -7.968
  616    HA   ASP  83           HA       ASP  83 -14.651  -6.764  -5.501
  617   1HB   ASP  83           HB2      ASP  83 -12.250  -6.624  -5.468
  618   2HB   ASP  83           HB3      ASP  83 -12.269  -5.231  -6.561
  619    H    ARG  84           H        ARG  84 -13.932  -4.406  -8.041
  620    HA   ARG  84           HA       ARG  84 -15.363  -2.214  -6.993
  621   1HB   ARG  84           HB2      ARG  84 -14.226  -2.983  -9.645
  622   2HB   ARG  84           HB3      ARG  84 -15.443  -1.713  -9.674
  623   1HG   ARG  84           HG2      ARG  84 -14.230  -0.286  -8.239
  624   2HG   ARG  84           HG3      ARG  84 -13.072  -1.541  -7.788
  625   1HD   ARG  84           HD2      ARG  84 -13.480  -0.437 -10.591
  626   2HD   ARG  84           HD3      ARG  84 -12.180   0.083  -9.495
  627    HE   ARG  84           HE       ARG  84 -11.859  -2.648  -9.584
  628   1HH1  ARG  84          HH11      ARG  84 -10.169  -3.121 -12.644
  629   2HH1  ARG  84          HH12      ARG  84 -10.210  -3.603 -10.987
  630   1HH2  ARG  84          HH21      ARG  84 -11.033  -1.008 -13.221
  631   2HH2  ARG  84          HH22      ARG  84 -12.052  -0.173 -12.087
  632    HHA  HEM 201           HGM      HEM 201   4.421  11.331   4.850
  633    HHB  HEM 201           HDM      HEM 201   5.850   7.875  -0.431
  634    HHC  HEM 201           HAM      HEM 201   1.130   3.730   1.042
  635    HHD  HEM 201           HBM      HEM 201  -0.049   6.998   6.473
  636   1HMA  HEM 201          HM81      HEM 201   7.780   9.439   0.339
  637   2HMA  HEM 201          HM82      HEM 201   6.579  10.281  -0.655
  638   3HMA  HEM 201          HM83      HEM 201   7.534  11.177   0.525
  639   1HAA  HEM 201          HAA1      HEM 201   6.391  12.188   3.721
  640   2HAA  HEM 201          HAA2      HEM 201   6.764  12.499   2.037
  641   1HBA  HEM 201          HBA1      HEM 201   5.016  13.967   3.323
  642   2HBA  HEM 201          HBA2      HEM 201   3.875  12.688   2.946
  643   1HMB  HEM 201          HM11      HEM 201   5.086   6.593  -2.413
  644   2HMB  HEM 201          HM12      HEM 201   6.115   5.371  -1.642
  645   3HMB  HEM 201          HM13      HEM 201   4.719   4.872  -2.606
  646    HAB  HEM 201          HT2A      HEM 201   2.805   2.721  -1.029
  647   1HBB  HEM 201          HV2C      HEM 201   1.274   4.998  -2.238
  648   2HBB  HEM 201          HV2T      HEM 201   1.223   3.170  -2.653
  649   1HMC  HEM 201          HM31      HEM 201  -0.246   2.353   2.849
  650   2HMC  HEM 201          HM32      HEM 201  -1.760   3.008   3.509
  651   3HMC  HEM 201          HM33      HEM 201  -1.247   3.441   1.872
  652    HAC  HEM 201          HT4A      HEM 201  -2.181   5.770   5.674
  653   1HBC  HEM 201          HV4C      HEM 201  -1.000   2.961   5.972
  654   2HBC  HEM 201          HV4T      HEM 201  -2.189   3.845   7.104
  655   1HMD  HEM 201          HM51      HEM 201   1.374   8.048   8.626
  656   2HMD  HEM 201          HM52      HEM 201   1.109   9.800   8.753
  657   3HMD  HEM 201          HM53      HEM 201  -0.103   8.773   7.978
  658   1HAD  HEM 201          HAD1      HEM 201   3.124  10.743   8.380
  659   2HAD  HEM 201          HAD2      HEM 201   4.103  11.409   7.099
  660   1HBD  HEM 201          HBD1      HEM 201   1.234  12.128   6.981
  661   2HBD  HEM 201          HBD2      HEM 201   2.130  12.771   8.367
  Start of MODEL   19
    1   1H    ALA   3           H1       ALA   3   1.696  -4.703 -19.168
    2   2H    ALA   3           H2       ALA   3   2.655  -6.021 -19.343
    3   3H    ALA   3           H3       ALA   3   1.966  -5.318 -20.682
    4    HA   ALA   3           HA       ALA   3  -0.210  -5.944 -19.897
    5   1HB   ALA   3           HB1      ALA   3   1.145  -7.534 -21.329
    6   2HB   ALA   3           HB2      ALA   3   1.678  -8.345 -19.844
    7   3HB   ALA   3           HB3      ALA   3  -0.043  -8.329 -20.280
    8    H    VAL   4           H        VAL   4  -1.292  -5.830 -17.924
    9    HA   VAL   4           HA       VAL   4   0.379  -6.167 -15.500
   10    HB   VAL   4           HB       VAL   4  -1.164  -4.710 -14.420
   11   1HG1  VAL   4          HG11      VAL   4  -0.534  -3.576 -17.176
   12   2HG1  VAL   4          HG12      VAL   4  -0.802  -2.671 -15.676
   13   3HG1  VAL   4          HG13      VAL   4   0.617  -3.721 -15.827
   14   1HG2  VAL   4          HG21      VAL   4  -3.033  -3.613 -15.843
   15   2HG2  VAL   4          HG22      VAL   4  -2.922  -5.053 -16.869
   16   3HG2  VAL   4          HG23      VAL   4  -3.323  -5.214 -15.149
   17    H    LYS   5           H        LYS   5  -0.573  -7.114 -13.572
   18    HA   LYS   5           HA       LYS   5  -2.561  -9.232 -14.202
   19   1HB   LYS   5           HB2      LYS   5   0.024  -9.715 -13.695
   20   2HB   LYS   5           HB3      LYS   5  -0.518  -9.637 -12.018
   21   1HG   LYS   5           HG2      LYS   5  -2.064 -11.470 -12.355
   22   2HG   LYS   5           HG3      LYS   5  -1.979 -11.288 -14.115
   23   1HD   LYS   5           HD2      LYS   5   0.532 -11.845 -13.910
   24   2HD   LYS   5           HD3      LYS   5   0.139 -12.458 -12.294
   25   1HE   LYS   5           HE2      LYS   5  -1.386 -14.116 -13.237
   26   2HE   LYS   5           HE3      LYS   5  -1.378 -13.319 -14.818
   27   1HZ   LYS   5           HZ1      LYS   5   0.934 -13.893 -15.055
   28   2HZ   LYS   5           HZ2      LYS   5   0.902 -14.737 -13.640
   29   3HZ   LYS   5           HZ3      LYS   5  -0.026 -15.216 -14.912
   30    H    TYR   6           H        TYR   6  -4.414  -8.628 -13.359
   31    HA   TYR   6           HA       TYR   6  -4.568  -6.694 -11.242
   32   1HB   TYR   6           HB2      TYR   6  -6.830  -8.426 -12.259
   33   2HB   TYR   6           HB3      TYR   6  -6.892  -6.821 -11.514
   34    HD1  TYR   6           HD1      TYR   6  -6.394  -8.709 -14.634
   35    HD2  TYR   6           HD2      TYR   6  -6.303  -4.824 -12.799
   36    HE1  TYR   6           HE1      TYR   6  -6.383  -7.661 -16.871
   37    HE2  TYR   6           HE2      TYR   6  -6.256  -3.757 -15.051
   38    HH   TYR   6           HH       TYR   6  -6.575  -5.674 -18.042
   39    H    TYR   7           H        TYR   7  -5.502  -7.085  -9.074
   40    HA   TYR   7           HA       TYR   7  -5.351  -9.937  -8.172
   41   1HB   TYR   7           HB2      TYR   7  -4.345  -7.565  -6.608
   42   2HB   TYR   7           HB3      TYR   7  -4.180  -9.266  -6.215
   43    HD1  TYR   7           HD1      TYR   7  -2.563  -6.443  -7.608
   44    HD2  TYR   7           HD2      TYR   7  -2.847 -10.715  -8.074
   45    HE1  TYR   7           HE1      TYR   7  -0.376  -6.461  -8.687
   46    HE2  TYR   7           HE2      TYR   7  -0.639 -10.722  -9.219
   47    HH   TYR   7           HH       TYR   7   1.024  -7.648 -10.035
   48    H    THR   8           H        THR   8  -6.797 -10.530  -6.615
   49    HA   THR   8           HA       THR   8  -9.239  -8.907  -6.440
   50    HB   THR   8           HB       THR   8 -10.211 -10.888  -5.483
   51    HG1  THR   8           HG1      THR   8  -7.859 -12.379  -5.524
   52   1HG2  THR   8          HG21      THR   8  -9.815 -12.579  -7.195
   53   2HG2  THR   8          HG22      THR   8  -9.820 -10.975  -7.936
   54   3HG2  THR   8          HG23      THR   8  -8.285 -11.826  -7.672
   55    H    LEU   9           H        LEU   9 -10.226  -8.304  -4.331
   56    HA   LEU   9           HA       LEU   9  -8.534  -7.262  -2.429
   57   1HB   LEU   9           HB2      LEU   9 -11.308  -7.546  -2.768
   58   2HB   LEU   9           HB3      LEU   9 -11.025  -8.355  -1.292
   59    HG   LEU   9           HG       LEU   9 -10.080  -5.515  -1.896
   60   1HD1  LEU   9          HD11      LEU   9 -12.188  -4.932  -1.491
   61   2HD1  LEU   9          HD12      LEU   9 -12.646  -6.553  -0.949
   62   3HD1  LEU   9          HD13      LEU   9 -11.938  -5.403   0.198
   63   1HD2  LEU   9          HD21      LEU   9  -9.690  -5.419   0.612
   64   2HD2  LEU   9          HD22      LEU   9  -9.889  -7.185   0.643
   65   3HD2  LEU   9          HD23      LEU   9  -8.560  -6.440  -0.272
   66    H    GLU  10           H        GLU  10  -9.883 -10.548  -2.599
   67    HA   GLU  10           HA       GLU  10  -9.049 -11.533  -0.103
   68   1HB   GLU  10           HB2      GLU  10 -10.598 -12.598  -1.837
   69   2HB   GLU  10           HB3      GLU  10  -9.149 -13.135  -2.680
   70   1HG   GLU  10           HG2      GLU  10  -9.883 -14.940  -1.281
   71   2HG   GLU  10           HG3      GLU  10  -8.413 -14.281  -0.556
   72    H    GLU  11           H        GLU  11  -7.420 -11.936  -3.285
   73    HA   GLU  11           HA       GLU  11  -5.098 -13.063  -2.172
   74   1HB   GLU  11           HB2      GLU  11  -5.829 -12.175  -4.834
   75   2HB   GLU  11           HB3      GLU  11  -4.241 -11.530  -4.450
   76   1HG   GLU  11           HG2      GLU  11  -3.558 -13.529  -5.268
   77   2HG   GLU  11           HG3      GLU  11  -3.795 -14.064  -3.609
   78    H    ILE  12           H        ILE  12  -5.847  -9.630  -2.853
   79    HA   ILE  12           HA       ILE  12  -3.331  -8.567  -2.064
   80    HB   ILE  12           HB       ILE  12  -6.124  -7.408  -1.973
   81   1HG1  ILE  12          HG12      ILE  12  -3.925  -6.910  -4.034
   82   2HG1  ILE  12          HG13      ILE  12  -5.096  -8.186  -4.238
   83   1HG2  ILE  12          HG21      ILE  12  -3.890  -6.225  -0.733
   84   2HG2  ILE  12          HG22      ILE  12  -3.960  -5.444  -2.303
   85   3HG2  ILE  12          HG23      ILE  12  -5.378  -5.421  -1.247
   86   1HD1  ILE  12          HD11      ILE  12  -5.722  -5.245  -4.007
   87   2HD1  ILE  12          HD12      ILE  12  -5.893  -6.255  -5.440
   88   3HD1  ILE  12          HD13      ILE  12  -6.957  -6.523  -4.064
   89    H    GLN  13           H        GLN  13  -6.266  -9.350  -0.170
   90    HA   GLN  13           HA       GLN  13  -5.478  -8.480   2.376
   91   1HB   GLN  13           HB2      GLN  13  -7.466 -10.361   1.256
   92   2HB   GLN  13           HB3      GLN  13  -6.936 -10.812   2.841
   93   1HG   GLN  13           HG2      GLN  13  -7.761  -7.941   2.272
   94   2HG   GLN  13           HG3      GLN  13  -8.993  -9.185   2.431
   95   1HE2  GLN  13          HE21      GLN  13  -8.737  -6.955   4.229
   96   2HE2  GLN  13          HE22      GLN  13  -8.503  -7.666   5.813
   97    H    LYS  14           H        LYS  14  -4.965 -11.708   0.877
   98    HA   LYS  14           HA       LYS  14  -3.771 -12.845   3.120
   99   1HB   LYS  14           HB2      LYS  14  -3.014 -14.587   1.795
  100   2HB   LYS  14           HB3      LYS  14  -4.469 -13.989   0.999
  101   1HG   LYS  14           HG2      LYS  14  -3.357 -13.648  -0.923
  102   2HG   LYS  14           HG3      LYS  14  -2.223 -12.605  -0.107
  103   1HD   LYS  14           HD2      LYS  14  -0.782 -14.163  -0.945
  104   2HD   LYS  14           HD3      LYS  14  -1.041 -14.761   0.698
  105   1HE   LYS  14           HE2      LYS  14  -3.104 -16.045  -0.579
  106   2HE   LYS  14           HE3      LYS  14  -2.057 -15.777  -1.979
  107   1HZ   LYS  14           HZ1      LYS  14  -1.389 -17.236   0.487
  108   2HZ   LYS  14           HZ2      LYS  14  -1.607 -17.876  -1.012
  109   3HZ   LYS  14           HZ3      LYS  14  -0.299 -16.918  -0.712
  110    H    HIS  15           H        HIS  15  -2.406 -10.513   0.969
  111    HA   HIS  15           HA       HIS  15   0.378 -10.835   1.898
  112   1HB   HIS  15           HB2      HIS  15  -0.997  -9.082  -0.102
  113   2HB   HIS  15           HB3      HIS  15   0.599  -8.647   0.541
  114    HD1  HIS  15           HD1      HIS  15   2.606  -9.798  -0.525
  115    HD2  HIS  15           HD2      HIS  15  -1.081 -11.474  -1.506
  116    HE1  HIS  15           HE1      HIS  15   3.097 -11.628  -2.233
  117    H    ASN  16           H        ASN  16  -0.648 -10.669   4.139
  118    HA   ASN  16           HA       ASN  16  -0.299  -7.881   5.151
  119   1HB   ASN  16           HB2      ASN  16  -2.173  -7.982   6.586
  120   2HB   ASN  16           HB3      ASN  16  -2.764  -8.387   4.979
  121   1HD2  ASN  16          HD21      ASN  16  -2.824 -10.881   4.578
  122   2HD2  ASN  16          HD22      ASN  16  -3.293 -11.919   5.916
  123    H    ASN  17           H        ASN  17   1.840  -9.517   5.208
  124    HA   ASN  17           HA       ASN  17   1.944 -10.418   8.057
  125   1HB   ASN  17           HB2      ASN  17   1.727 -12.224   5.880
  126   2HB   ASN  17           HB3      ASN  17   3.449 -12.199   6.265
  127   1HD2  ASN  17          HD21      ASN  17   0.762 -13.919   6.909
  128   2HD2  ASN  17          HD22      ASN  17   1.083 -14.397   8.563
  129    H    SER  18           H        SER  18   4.277 -11.044   8.622
  130    HA   SER  18           HA       SER  18   5.925  -8.693   8.006
  131   1HB   SER  18           HB2      SER  18   5.797  -9.769  10.287
  132   2HB   SER  18           HB3      SER  18   6.705 -11.146   9.631
  133    HG   SER  18           HG       SER  18   8.369  -9.701   9.108
  134    H    LYS  19           H        LYS  19   5.588  -9.582   5.619
  135    HA   LYS  19           HA       LYS  19   8.153 -10.497   4.701
  136   1HB   LYS  19           HB2      LYS  19   5.812 -12.413   4.771
  137   2HB   LYS  19           HB3      LYS  19   6.657 -12.251   3.239
  138   1HG   LYS  19           HG2      LYS  19   8.837 -12.524   4.765
  139   2HG   LYS  19           HG3      LYS  19   7.705 -13.331   5.856
  140   1HD   LYS  19           HD2      LYS  19   7.105 -14.923   4.058
  141   2HD   LYS  19           HD3      LYS  19   8.018 -13.960   2.881
  142   1HE   LYS  19           HE2      LYS  19  10.077 -14.418   4.498
  143   2HE   LYS  19           HE3      LYS  19   9.083 -15.767   5.065
  144   1HZ   LYS  19           HZ1      LYS  19   8.986 -16.486   2.720
  145   2HZ   LYS  19           HZ2      LYS  19   9.988 -15.247   2.303
  146   3HZ   LYS  19           HZ3      LYS  19  10.527 -16.436   3.297
  147    H    SER  20           H        SER  20   4.688 -10.009   3.752
  148    HA   SER  20           HA       SER  20   5.615  -8.100   1.702
  149   1HB   SER  20           HB2      SER  20   3.800 -10.416   1.099
  150   2HB   SER  20           HB3      SER  20   4.269  -9.043   0.042
  151    HG   SER  20           HG       SER  20   6.444  -9.761   0.264
  152    H    THR  21           H        THR  21   4.600  -6.340   2.310
  153    HA   THR  21           HA       THR  21   1.801  -6.253   3.291
  154    HB   THR  21           HB       THR  21   4.161  -4.351   3.167
  155    HG1  THR  21           HG1      THR  21   3.940  -4.508   5.397
  156   1HG2  THR  21          HG21      THR  21   2.807  -2.584   3.151
  157   2HG2  THR  21          HG22      THR  21   1.345  -3.551   3.335
  158   3HG2  THR  21          HG23      THR  21   2.282  -3.076   4.762
  159    H    TRP  22           H        TRP  22   0.406  -6.402   1.557
  160    HA   TRP  22           HA       TRP  22   0.789  -4.519  -0.744
  161   1HB   TRP  22           HB2      TRP  22  -0.990  -6.942  -0.364
  162   2HB   TRP  22           HB3      TRP  22  -1.076  -5.854  -1.727
  163    HD1  TRP  22           HD1      TRP  22   2.482  -6.605  -0.787
  164    HE1  TRP  22           HE1      TRP  22   3.557  -7.962  -2.533
  165    HE3  TRP  22           HE3      TRP  22  -1.718  -7.827  -3.427
  166    HZ2  TRP  22           HZ2      TRP  22   2.728  -9.485  -4.924
  167    HZ3  TRP  22           HZ3      TRP  22  -1.561  -9.299  -5.389
  168    HH2  TRP  22           HH2      TRP  22   0.675 -10.047  -6.230
  169    H    LEU  23           H        LEU  23  -1.582  -3.746  -1.438
  170    HA   LEU  23           HA       LEU  23  -3.645  -3.403   0.404
  171   1HB   LEU  23           HB2      LEU  23  -3.206  -0.883   0.875
  172   2HB   LEU  23           HB3      LEU  23  -2.477  -2.103   1.879
  173    HG   LEU  23           HG       LEU  23  -0.335  -1.866   0.420
  174   1HD1  LEU  23          HD11      LEU  23  -0.085   0.353  -0.633
  175   2HD1  LEU  23          HD12      LEU  23  -1.289  -0.630  -1.486
  176   3HD1  LEU  23          HD13      LEU  23  -1.803   0.657  -0.371
  177   1HD2  LEU  23          HD21      LEU  23  -0.681  -0.947   2.738
  178   2HD2  LEU  23          HD22      LEU  23   0.470  -0.077   1.689
  179   3HD2  LEU  23          HD23      LEU  23  -1.175   0.570   1.953
  180    H    ILE  24           H        ILE  24  -5.055  -1.486  -0.371
  181    HA   ILE  24           HA       ILE  24  -4.735  -1.159  -3.346
  182    HB   ILE  24           HB       ILE  24  -7.259  -1.431  -1.716
  183   1HG1  ILE  24          HG12      ILE  24  -6.528  -3.095  -4.114
  184   2HG1  ILE  24          HG13      ILE  24  -5.776  -3.475  -2.566
  185   1HG2  ILE  24          HG21      ILE  24  -8.445  -1.217  -3.905
  186   2HG2  ILE  24          HG22      ILE  24  -7.627   0.277  -3.452
  187   3HG2  ILE  24          HG23      ILE  24  -6.903  -0.793  -4.674
  188   1HD1  ILE  24          HD11      ILE  24  -7.869  -4.777  -2.831
  189   2HD1  ILE  24          HD12      ILE  24  -7.913  -3.702  -1.428
  190   3HD1  ILE  24          HD13      ILE  24  -8.796  -3.269  -2.902
  191    H    LEU  25           H        LEU  25  -4.337   0.827  -3.922
  192    HA   LEU  25           HA       LEU  25  -5.326   3.206  -2.400
  193   1HB   LEU  25           HB2      LEU  25  -2.614   2.339  -3.270
  194   2HB   LEU  25           HB3      LEU  25  -3.026   4.018  -3.625
  195    HG   LEU  25           HG       LEU  25  -2.998   4.694  -1.530
  196   1HD1  LEU  25          HD11      LEU  25  -3.463   1.863  -0.750
  197   2HD1  LEU  25          HD12      LEU  25  -3.006   3.118   0.436
  198   3HD1  LEU  25          HD13      LEU  25  -4.471   3.289  -0.509
  199   1HD2  LEU  25          HD21      LEU  25  -0.743   3.422  -2.487
  200   2HD2  LEU  25          HD22      LEU  25  -0.812   4.440  -1.049
  201   3HD2  LEU  25          HD23      LEU  25  -0.923   2.684  -0.890
  202    H    HIS  26           H        HIS  26  -7.095   3.423  -3.685
  203    HA   HIS  26           HA       HIS  26  -8.267   4.275  -5.416
  204   1HB   HIS  26           HB2      HIS  26  -5.711   4.972  -6.883
  205   2HB   HIS  26           HB3      HIS  26  -7.318   5.658  -7.083
  206    HD1  HIS  26           HD1      HIS  26  -8.071   7.467  -5.180
  207    HD2  HIS  26           HD2      HIS  26  -4.217   5.818  -4.891
  208    HE1  HIS  26           HE1      HIS  26  -6.764   8.977  -3.634
  209    H    TYR  27           H        TYR  27  -8.166   1.642  -5.382
  210    HA   TYR  27           HA       TYR  27  -8.438  -0.265  -6.573
  211   1HB   TYR  27           HB2      TYR  27  -8.696   1.489  -9.035
  212   2HB   TYR  27           HB3      TYR  27  -9.398  -0.095  -8.777
  213    HD1  TYR  27           HD1      TYR  27 -10.569   2.882  -9.404
  214    HD2  TYR  27           HD2      TYR  27 -10.546   0.260  -5.969
  215    HE1  TYR  27           HE1      TYR  27 -12.683   3.893  -8.589
  216    HE2  TYR  27           HE2      TYR  27 -12.672   1.205  -5.222
  217    HH   TYR  27           HH       TYR  27 -14.342   2.721  -5.650
  218    H    LYS  28           H        LYS  28  -5.664   1.066  -6.456
  219    HA   LYS  28           HA       LYS  28  -4.364  -0.617  -8.535
  220   1HB   LYS  28           HB2      LYS  28  -3.718   2.166  -7.571
  221   2HB   LYS  28           HB3      LYS  28  -2.507   1.117  -8.337
  222   1HG   LYS  28           HG2      LYS  28  -3.837   0.921 -10.336
  223   2HG   LYS  28           HG3      LYS  28  -5.218   1.748  -9.583
  224   1HD   LYS  28           HD2      LYS  28  -3.974   3.821  -9.428
  225   2HD   LYS  28           HD3      LYS  28  -2.518   3.065 -10.081
  226   1HE   LYS  28           HE2      LYS  28  -4.830   2.555 -11.859
  227   2HE   LYS  28           HE3      LYS  28  -4.730   4.276 -11.490
  228   1HZ   LYS  28           HZ1      LYS  28  -3.460   3.935 -13.362
  229   2HZ   LYS  28           HZ2      LYS  28  -2.329   4.050 -12.170
  230   3HZ   LYS  28           HZ3      LYS  28  -2.736   2.575 -12.793
  231    H    VAL  29           H        VAL  29  -3.024  -2.096  -7.744
  232    HA   VAL  29           HA       VAL  29  -2.691  -2.256  -4.840
  233    HB   VAL  29           HB       VAL  29  -1.842  -4.290  -6.908
  234   1HG1  VAL  29          HG11      VAL  29  -1.055  -4.498  -4.469
  235   2HG1  VAL  29          HG12      VAL  29  -2.758  -4.617  -4.022
  236   3HG1  VAL  29          HG13      VAL  29  -2.022  -5.853  -5.063
  237   1HG2  VAL  29          HG21      VAL  29  -4.574  -3.804  -5.693
  238   2HG2  VAL  29          HG22      VAL  29  -4.126  -3.974  -7.410
  239   3HG2  VAL  29          HG23      VAL  29  -4.058  -5.372  -6.341
  240    H    TYR  30           H        TYR  30  -0.768  -2.142  -3.815
  241    HA   TYR  30           HA       TYR  30   1.703  -1.586  -5.392
  242   1HB   TYR  30           HB2      TYR  30   0.676  -0.164  -2.916
  243   2HB   TYR  30           HB3      TYR  30   2.230   0.125  -3.685
  244    HD1  TYR  30           HD1      TYR  30   2.303   1.191  -5.938
  245    HD2  TYR  30           HD2      TYR  30  -1.429   0.519  -3.969
  246    HE1  TYR  30           HE1      TYR  30   1.151   2.737  -7.559
  247    HE2  TYR  30           HE2      TYR  30  -2.524   2.104  -5.510
  248    HH   TYR  30           HH       TYR  30  -2.247   3.691  -7.094
  249    H    ASP  31           H        ASP  31   3.084  -3.218  -4.951
  250    HA   ASP  31           HA       ASP  31   3.027  -4.631  -2.327
  251   1HB   ASP  31           HB2      ASP  31   3.252  -6.055  -4.317
  252   2HB   ASP  31           HB3      ASP  31   4.632  -5.083  -4.871
  253    H    LEU  32           H        LEU  32   4.019  -3.284  -0.836
  254    HA   LEU  32           HA       LEU  32   6.557  -1.979  -1.671
  255   1HB   LEU  32           HB2      LEU  32   4.825  -1.271   0.723
  256   2HB   LEU  32           HB3      LEU  32   6.317  -0.539   0.146
  257    HG   LEU  32           HG       LEU  32   4.755  -0.450  -2.137
  258   1HD1  LEU  32          HD11      LEU  32   2.919   0.127   0.238
  259   2HD1  LEU  32          HD12      LEU  32   2.508   0.131  -1.493
  260   3HD1  LEU  32          HD13      LEU  32   2.867  -1.383  -0.677
  261   1HD2  LEU  32          HD21      LEU  32   4.852   1.656   0.048
  262   2HD2  LEU  32          HD22      LEU  32   6.142   1.330  -1.124
  263   3HD2  LEU  32          HD23      LEU  32   4.575   1.915  -1.698
  264    H    THR  33           H        THR  33   5.601  -2.841   1.615
  265    HA   THR  33           HA       THR  33   6.516  -4.018   3.186
  266    HB   THR  33           HB       THR  33   6.227  -5.785   1.095
  267    HG1  THR  33           HG1      THR  33   6.984  -6.331   3.769
  268   1HG2  THR  33          HG21      THR  33   8.661  -5.981   0.667
  269   2HG2  THR  33          HG22      THR  33   8.911  -6.442   2.375
  270   3HG2  THR  33          HG23      THR  33   7.949  -7.446   1.275
  271    H    LYS  34           H        LYS  34   9.018  -3.881   0.612
  272    HA   LYS  34           HA       LYS  34  11.173  -3.788   2.554
  273   1HB   LYS  34           HB2      LYS  34  11.241  -4.750   0.193
  274   2HB   LYS  34           HB3      LYS  34  11.210  -3.080  -0.403
  275   1HG   LYS  34           HG2      LYS  34  13.277  -2.645   0.987
  276   2HG   LYS  34           HG3      LYS  34  13.304  -4.360   1.436
  277   1HD   LYS  34           HD2      LYS  34  13.596  -4.999  -0.928
  278   2HD   LYS  34           HD3      LYS  34  13.346  -3.311  -1.424
  279   1HE   LYS  34           HE2      LYS  34  15.381  -2.789   0.182
  280   2HE   LYS  34           HE3      LYS  34  15.725  -4.519   0.055
  281   1HZ   LYS  34           HZ1      LYS  34  15.482  -2.624  -2.197
  282   2HZ   LYS  34           HZ2      LYS  34  16.899  -3.140  -1.550
  283   3HZ   LYS  34           HZ3      LYS  34  15.915  -4.212  -2.326
  284    H    PHE  35           H        PHE  35   8.823  -1.571   1.475
  285    HA   PHE  35           HA       PHE  35  10.538   0.828   1.796
  286   1HB   PHE  35           HB2      PHE  35   8.803   0.409  -0.118
  287   2HB   PHE  35           HB3      PHE  35   7.613   0.722   1.148
  288    HD1  PHE  35           HD1      PHE  35  10.837   2.265  -0.033
  289    HD2  PHE  35           HD2      PHE  35   6.712   2.924   1.037
  290    HE1  PHE  35           HE1      PHE  35  11.098   4.656  -0.540
  291    HE2  PHE  35           HE2      PHE  35   6.951   5.315   0.444
  292    HZ   PHE  35           HZ       PHE  35   9.148   6.200  -0.332
  293    H    LEU  36           H        LEU  36   8.786  -1.326   3.819
  294    HA   LEU  36           HA       LEU  36   7.184   0.432   5.328
  295   1HB   LEU  36           HB2      LEU  36   8.750  -2.058   6.111
  296   2HB   LEU  36           HB3      LEU  36   7.563  -1.292   7.165
  297    HG   LEU  36           HG       LEU  36   6.841  -2.242   4.384
  298   1HD1  LEU  36          HD11      LEU  36   5.925  -4.272   5.595
  299   2HD1  LEU  36          HD12      LEU  36   7.678  -4.154   5.779
  300   3HD1  LEU  36          HD13      LEU  36   6.622  -3.654   7.107
  301   1HD2  LEU  36          HD21      LEU  36   4.546  -2.262   5.367
  302   2HD2  LEU  36          HD22      LEU  36   5.195  -1.458   6.813
  303   3HD2  LEU  36          HD23      LEU  36   5.276  -0.661   5.221
  304    H    GLU  37           H        GLU  37  10.566  -0.604   6.057
  305    HA   GLU  37           HA       GLU  37  10.891   1.270   8.167
  306   1HB   GLU  37           HB2      GLU  37  13.275   0.761   7.983
  307   2HB   GLU  37           HB3      GLU  37  12.278  -0.694   8.000
  308   1HG   GLU  37           HG2      GLU  37  12.571  -0.941   5.536
  309   2HG   GLU  37           HG3      GLU  37  13.529   0.551   5.505
  310    H    GLU  38           H        GLU  38  11.445   1.532   4.675
  311    HA   GLU  38           HA       GLU  38  12.864   3.998   4.676
  312   1HB   GLU  38           HB2      GLU  38  11.075   2.801   2.549
  313   2HB   GLU  38           HB3      GLU  38  12.268   4.039   2.284
  314   1HG   GLU  38           HG2      GLU  38  13.863   2.157   3.471
  315   2HG   GLU  38           HG3      GLU  38  12.685   1.109   2.686
  316    H    HIS  39           HN       HIS  39   9.420   3.210   4.680
  317    HA   HIS  39           HA       HIS  39   8.475   5.730   3.869
  318   1HB   HIS  39           HB2      HIS  39   7.211   3.697   3.586
  319   2HB   HIS  39           HB3      HIS  39   7.126   3.465   5.338
  320    HD1  HIS  39           HND      HIS  39   5.470   5.025   6.674
  321    HD2  HIS  39           HD       HIS  39   5.494   5.498   2.494
  322    HE1  HIS  39           HE       HIS  39   3.435   6.350   6.118
  323    HA   PRO  40           HA       PRO  40   9.532   7.828   7.590
  324   1HB   PRO  40           HB2      PRO  40   8.212  10.238   7.291
  325   2HB   PRO  40           HB3      PRO  40   9.672   9.759   6.381
  326   1HG   PRO  40           HG2      PRO  40   6.794   9.593   5.500
  327   2HG   PRO  40           HG3      PRO  40   8.205  10.174   4.564
  328   1HD   PRO  40           HD2      PRO  40   7.185   7.665   4.269
  329   2HD   PRO  40           HD3      PRO  40   8.943   7.980   4.136
  330    H    GLY  41           H        GLY  41   6.070   7.586   6.829
  331   1HA   GLY  41           HA1      GLY  41   4.875   8.347   9.210
  332   2HA   GLY  41           HA2      GLY  41   4.281   7.047   8.178
  333    H    GLY  42           H        GLY  42   6.916   5.490   8.760
  334   1HA   GLY  42           HA1      GLY  42   7.820   4.357  10.594
  335   2HA   GLY  42           HA2      GLY  42   6.426   4.735  11.605
  336    H    GLU  43           H        GLU  43   7.916   2.254  10.177
  337    HA   GLU  43           HA       GLU  43   6.005   0.697   8.863
  338   1HB   GLU  43           HB2      GLU  43   7.435  -1.196   9.751
  339   2HB   GLU  43           HB3      GLU  43   8.230   0.036   8.763
  340   1HG   GLU  43           HG2      GLU  43   9.498   0.884  10.488
  341   2HG   GLU  43           HG3      GLU  43   8.350   0.391  11.746
  342    H    ALA  44           H        ALA  44   4.075   0.808   9.754
  343    HA   ALA  44           HA       ALA  44   3.210  -1.069  11.739
  344   1HB   ALA  44           HB1      ALA  44   4.032   0.365  13.485
  345   2HB   ALA  44           HB2      ALA  44   3.535   1.839  12.628
  346   3HB   ALA  44           HB3      ALA  44   2.315   0.764  13.346
  347    H    VAL  45           H        VAL  45   2.319   2.315  10.783
  348    HA   VAL  45           HA       VAL  45  -0.376   1.548  10.438
  349    HB   VAL  45           HB       VAL  45   0.552   3.861  10.848
  350   1HG1  VAL  45          HG11      VAL  45   0.926   5.323   8.932
  351   2HG1  VAL  45          HG12      VAL  45   2.098   3.992   8.889
  352   3HG1  VAL  45          HG13      VAL  45   0.693   3.989   7.796
  353   1HG2  VAL  45          HG21      VAL  45  -1.545   3.962   8.701
  354   2HG2  VAL  45          HG22      VAL  45  -1.897   3.155  10.235
  355   3HG2  VAL  45          HG23      VAL  45  -1.426   4.859  10.214
  356    H    LEU  46           H        LEU  46   2.327   1.798   7.976
  357    HA   LEU  46           HA       LEU  46   0.630   1.038   5.823
  358   1HB   LEU  46           HB2      LEU  46   3.601   0.800   6.393
  359   2HB   LEU  46           HB3      LEU  46   2.908  -0.014   4.986
  360    HG   LEU  46           HG       LEU  46   2.710   2.978   5.511
  361   1HD1  LEU  46          HD11      LEU  46   4.396   1.296   3.600
  362   2HD1  LEU  46          HD12      LEU  46   4.196   3.048   3.472
  363   3HD1  LEU  46          HD13      LEU  46   4.969   2.349   4.912
  364   1HD2  LEU  46          HD21      LEU  46   0.800   2.428   4.217
  365   2HD2  LEU  46          HD22      LEU  46   1.997   2.812   2.985
  366   3HD2  LEU  46          HD23      LEU  46   1.631   1.122   3.348
  367    H    ARG  47           H        ARG  47   1.910  -0.938   8.444
  368    HA   ARG  47           HA       ARG  47   1.416  -3.431   6.992
  369   1HB   ARG  47           HB2      ARG  47   3.238  -3.164   8.667
  370   2HB   ARG  47           HB3      ARG  47   2.008  -3.008   9.924
  371   1HG   ARG  47           HG2      ARG  47   1.921  -5.246  10.082
  372   2HG   ARG  47           HG3      ARG  47   1.235  -5.322   8.464
  373   1HD   ARG  47           HD2      ARG  47   3.082  -6.752   8.261
  374   2HD   ARG  47           HD3      ARG  47   3.616  -5.258   7.536
  375    HE   ARG  47           HE       ARG  47   5.225  -5.023   9.159
  376   1HH1  ARG  47          HH11      ARG  47   5.769  -6.781  12.170
  377   2HH1  ARG  47          HH12      ARG  47   6.413  -5.613  11.069
  378   1HH2  ARG  47          HH21      ARG  47   3.629  -7.750  11.742
  379   2HH2  ARG  47          HH22      ARG  47   2.784  -7.274  10.301
  380    H    ALA  48           H        ALA  48  -0.123  -1.496   9.602
  381    HA   ALA  48           HA       ALA  48  -2.194  -3.339  10.226
  382   1HB   ALA  48           HB1      ALA  48  -3.284  -1.355  11.267
  383   2HB   ALA  48           HB2      ALA  48  -1.575  -1.516  11.721
  384   3HB   ALA  48           HB3      ALA  48  -2.065  -0.306  10.511
  385    H    GLN  49           H        GLN  49  -2.019  -0.658   7.840
  386    HA   GLN  49           HA       GLN  49  -4.734  -1.227   6.847
  387   1HB   GLN  49           HB2      GLN  49  -2.444   0.650   6.237
  388   2HB   GLN  49           HB3      GLN  49  -3.774   0.501   5.109
  389   1HG   GLN  49           HG2      GLN  49  -4.106   1.314   8.022
  390   2HG   GLN  49           HG3      GLN  49  -4.206   2.376   6.605
  391   1HE2  GLN  49          HE21      GLN  49  -6.234   0.963   8.771
  392   2HE2  GLN  49          HE22      GLN  49  -7.608   0.759   7.693
  393    H    ALA  50           H        ALA  50  -1.720  -2.733   6.429
  394    HA   ALA  50           HA       ALA  50  -1.738  -3.165   3.655
  395   1HB   ALA  50           HB1      ALA  50  -0.880  -5.239   5.727
  396   2HB   ALA  50           HB2      ALA  50  -0.333  -5.098   4.055
  397   3HB   ALA  50           HB3      ALA  50   0.118  -3.856   5.236
  398    H    GLY  51           H        GLY  51  -2.489  -5.028   2.469
  399   1HA   GLY  51           HA1      GLY  51  -4.098  -6.475   1.761
  400   2HA   GLY  51           HA2      GLY  51  -4.046  -7.136   3.413
  401    H    GLY  52           H        GLY  52  -5.093  -3.904   2.140
  402   1HA   GLY  52           HA1      GLY  52  -7.908  -4.500   2.393
  403   2HA   GLY  52           HA2      GLY  52  -7.282  -3.480   3.713
  404    H    ASP  53           H        ASP  53  -9.147  -2.397   2.021
  405    HA   ASP  53           HA       ASP  53  -7.881  -0.603   0.109
  406   1HB   ASP  53           HB2      ASP  53 -10.281  -0.749  -0.035
  407   2HB   ASP  53           HB3      ASP  53 -10.460  -0.409   1.703
  408    H    ALA  54           H        ALA  54  -6.416   0.837   0.645
  409    HA   ALA  54           HA       ALA  54  -6.586   2.155   3.330
  410   1HB   ALA  54           HB1      ALA  54  -4.628   0.570   3.135
  411   2HB   ALA  54           HB2      ALA  54  -4.014   1.576   1.818
  412   3HB   ALA  54           HB3      ALA  54  -4.203   2.284   3.440
  413    H    THR  55           H        THR  55  -7.562   2.616   0.343
  414    HA   THR  55           HA       THR  55  -6.072   4.832  -0.645
  415    HB   THR  55           HB       THR  55  -9.074   4.365  -0.975
  416    HG1  THR  55           HG1      THR  55  -8.154   2.457  -1.465
  417   1HG2  THR  55          HG21      THR  55  -8.162   6.469  -1.933
  418   2HG2  THR  55          HG22      THR  55  -6.871   5.536  -2.725
  419   3HG2  THR  55          HG23      THR  55  -8.569   5.324  -3.228
  420    H    ALA  56           H        ALA  56  -8.934   4.575   1.444
  421    HA   ALA  56           HA       ALA  56  -9.315   7.339   1.939
  422   1HB   ALA  56           HB1      ALA  56 -10.567   6.547   3.951
  423   2HB   ALA  56           HB2      ALA  56 -11.022   5.680   2.471
  424   3HB   ALA  56           HB3      ALA  56  -9.958   4.902   3.664
  425    H    ASN  57           H        ASN  57  -7.238   4.938   3.645
  426    HA   ASN  57           HA       ASN  57  -6.469   6.765   5.730
  427   1HB   ASN  57           HB2      ASN  57  -5.270   4.177   4.694
  428   2HB   ASN  57           HB3      ASN  57  -4.530   5.125   5.989
  429   1HD2  ASN  57          HD21      ASN  57  -5.061   4.421   8.018
  430   2HD2  ASN  57          HD22      ASN  57  -6.611   3.692   8.414
  431    H    PHE  58           H        PHE  58  -4.852   5.729   2.738
  432    HA   PHE  58           HA       PHE  58  -2.491   7.216   2.831
  433   1HB   PHE  58           HB2      PHE  58  -3.042   5.505   1.159
  434   2HB   PHE  58           HB3      PHE  58  -4.313   6.508   0.488
  435    HD1  PHE  58           HD1      PHE  58  -0.669   6.841   1.289
  436    HD2  PHE  58           HD2      PHE  58  -3.779   7.450  -1.607
  437    HE1  PHE  58           HE1      PHE  58   1.037   7.522  -0.390
  438    HE2  PHE  58           HE2      PHE  58  -2.087   8.130  -3.273
  439    HZ   PHE  58           HZ       PHE  58   0.334   8.187  -2.663
  440    H    GLU  59           H        GLU  59  -5.645   8.155   1.429
  441    HA   GLU  59           HA       GLU  59  -4.938  10.846   0.803
  442   1HB   GLU  59           HB2      GLU  59  -7.565   9.390   1.139
  443   2HB   GLU  59           HB3      GLU  59  -7.448  11.052   0.547
  444   1HG   GLU  59           HG2      GLU  59  -5.668   9.049  -0.834
  445   2HG   GLU  59           HG3      GLU  59  -7.404   8.876  -1.084
  446    H    ALA  60           H        ALA  60  -6.699   9.419   3.592
  447    HA   ALA  60           HA       ALA  60  -7.514  11.779   4.869
  448   1HB   ALA  60           HB1      ALA  60  -6.666   9.109   6.077
  449   2HB   ALA  60           HB2      ALA  60  -7.464  10.409   6.974
  450   3HB   ALA  60           HB3      ALA  60  -8.317   9.615   5.641
  451    H    VAL  61           H        VAL  61  -4.457   9.933   5.226
  452    HA   VAL  61           HA       VAL  61  -3.199  11.851   6.987
  453    HB   VAL  61           HB       VAL  61  -2.109   9.772   5.049
  454   1HG1  VAL  61          HG11      VAL  61  -0.402  11.519   5.325
  455   2HG1  VAL  61          HG12      VAL  61  -0.667  11.524   7.081
  456   3HG1  VAL  61          HG13      VAL  61   0.021  10.108   6.259
  457   1HG2  VAL  61          HG21      VAL  61  -2.259   8.292   6.769
  458   2HG2  VAL  61          HG22      VAL  61  -1.668   9.466   7.962
  459   3HG2  VAL  61          HG23      VAL  61  -3.377   9.435   7.529
  460    H    GLY  62           H        GLY  62  -3.037  11.326   3.418
  461   1HA   GLY  62           HA1      GLY  62  -3.075  13.064   1.831
  462   2HA   GLY  62           HA2      GLY  62  -2.534  14.249   3.029
  463    H    HIS  63           HN       HIS  63  -1.393  13.529   0.347
  464    HA   HIS  63           HA       HIS  63   1.401  12.992   1.082
  465   1HB   HIS  63           HB2      HIS  63  -0.321  11.199  -0.705
  466   2HB   HIS  63           HB3      HIS  63   1.433  11.271  -0.762
  467    HD1  HIS  63           HND      HIS  63  -1.255  10.197   1.875
  468    HD2  HIS  63           HD       HIS  63   2.758   9.704   0.705
  469    HE1  HIS  63           HE       HIS  63  -0.284   8.423   3.378
  470    H    SER  64           H        SER  64   2.775  13.336  -0.915
  471    HA   SER  64           HA       SER  64   1.690  15.657  -2.417
  472   1HB   SER  64           HB2      SER  64   4.007  16.259  -2.742
  473   2HB   SER  64           HB3      SER  64   3.768  15.906  -1.026
  474    HG   SER  64           HG       SER  64   4.946  14.104  -1.234
  475    H    THR  65           H        THR  65   2.761  15.910  -4.670
  476    HA   THR  65           HA       THR  65   1.894  13.964  -6.490
  477    HB   THR  65           HB       THR  65   3.600  15.319  -7.955
  478    HG1  THR  65           HG1      THR  65   4.438  17.122  -6.907
  479   1HG2  THR  65          HG21      THR  65   1.170  15.866  -7.844
  480   2HG2  THR  65          HG22      THR  65   1.458  16.846  -6.389
  481   3HG2  THR  65          HG23      THR  65   2.166  17.331  -7.942
  482    H    ASP  66           H        ASP  66   5.116  14.597  -5.067
  483    HA   ASP  66           HA       ASP  66   6.597  12.709  -6.487
  484   1HB   ASP  66           HB2      ASP  66   7.149  14.472  -4.443
  485   2HB   ASP  66           HB3      ASP  66   7.100  12.995  -3.499
  486    H    ALA  67           H        ALA  67   4.620  12.293  -3.587
  487    HA   ALA  67           HA       ALA  67   5.186   9.487  -3.213
  488   1HB   ALA  67           HB1      ALA  67   2.540  10.472  -2.353
  489   2HB   ALA  67           HB2      ALA  67   3.766   9.571  -1.456
  490   3HB   ALA  67           HB3      ALA  67   3.930  11.332  -1.644
  491    H    ARG  68           H        ARG  68   2.599  11.316  -4.880
  492    HA   ARG  68           HA       ARG  68   0.921   9.184  -5.578
  493   1HB   ARG  68           HB2      ARG  68   1.502  11.730  -7.143
  494   2HB   ARG  68           HB3      ARG  68   0.186  10.638  -7.488
  495   1HG   ARG  68           HG2      ARG  68   0.478  11.885  -4.728
  496   2HG   ARG  68           HG3      ARG  68  -0.283  12.769  -6.048
  497   1HD   ARG  68           HD2      ARG  68  -1.129  10.032  -5.058
  498   2HD   ARG  68           HD3      ARG  68  -1.852  11.569  -4.540
  499    HE   ARG  68           HE       ARG  68  -2.089  11.795  -7.212
  500   1HH1  ARG  68          HH11      ARG  68  -4.815   9.729  -8.027
  501   2HH1  ARG  68          HH12      ARG  68  -3.833  11.068  -8.527
  502   1HH2  ARG  68          HH21      ARG  68  -4.395   8.685  -5.890
  503   2HH2  ARG  68          HH22      ARG  68  -3.129   9.324  -4.931
  504    H    GLU  69           H        GLU  69   3.887  10.459  -7.119
  505    HA   GLU  69           HA       GLU  69   3.744   8.754  -9.485
  506   1HB   GLU  69           HB2      GLU  69   5.416  10.949  -8.396
  507   2HB   GLU  69           HB3      GLU  69   6.256   9.851  -9.476
  508   1HG   GLU  69           HG2      GLU  69   3.550  11.049 -10.217
  509   2HG   GLU  69           HG3      GLU  69   5.069  11.902 -10.490
  510    H    LEU  70           H        LEU  70   5.663   8.928  -6.484
  511    HA   LEU  70           HA       LEU  70   7.345   6.781  -6.913
  512   1HB   LEU  70           HB2      LEU  70   7.468   8.428  -5.090
  513   2HB   LEU  70           HB3      LEU  70   6.044   7.692  -4.362
  514    HG   LEU  70           HG       LEU  70   7.352   6.440  -3.121
  515   1HD1  LEU  70          HD11      LEU  70   7.204   4.651  -4.594
  516   2HD1  LEU  70          HD12      LEU  70   8.457   5.284  -5.700
  517   3HD1  LEU  70          HD13      LEU  70   8.902   4.702  -4.094
  518   1HD2  LEU  70          HD21      LEU  70   9.877   7.155  -4.576
  519   2HD2  LEU  70          HD22      LEU  70   9.044   8.287  -3.474
  520   3HD2  LEU  70          HD23      LEU  70   9.608   6.722  -2.869
  521    H    SER  71           H        SER  71   4.098   6.805  -5.425
  522    HA   SER  71           HA       SER  71   3.668   4.100  -4.986
  523   1HB   SER  71           HB2      SER  71   1.598   5.987  -6.174
  524   2HB   SER  71           HB3      SER  71   1.305   4.476  -5.300
  525    HG   SER  71           HG       SER  71   2.704   6.662  -4.155
  526    H    LYS  72           H        LYS  72   3.303   5.768  -8.235
  527    HA   LYS  72           HA       LYS  72   2.497   3.423  -9.593
  528   1HB   LYS  72           HB2      LYS  72   4.102   5.785 -10.644
  529   2HB   LYS  72           HB3      LYS  72   3.606   4.401 -11.608
  530   1HG   LYS  72           HG2      LYS  72   1.184   4.931 -10.788
  531   2HG   LYS  72           HG3      LYS  72   1.876   6.505 -10.329
  532   1HD   LYS  72           HD2      LYS  72   2.950   6.249 -12.824
  533   2HD   LYS  72           HD3      LYS  72   1.569   5.186 -13.055
  534   1HE   LYS  72           HE2      LYS  72   0.304   7.020 -13.515
  535   2HE   LYS  72           HE3      LYS  72   0.525   7.566 -11.846
  536   1HZ   LYS  72           HZ1      LYS  72   1.321   9.261 -13.283
  537   2HZ   LYS  72           HZ2      LYS  72   2.627   8.586 -12.597
  538   3HZ   LYS  72           HZ3      LYS  72   2.271   8.223 -14.138
  539    H    THR  73           H        THR  73   5.783   4.497  -8.663
  540    HA   THR  73           HA       THR  73   7.187   2.465 -10.169
  541    HB   THR  73           HB       THR  73   7.904   4.468  -8.052
  542    HG1  THR  73           HG1      THR  73   8.025   4.828 -10.303
  543   1HG2  THR  73          HG21      THR  73  10.186   3.604  -7.876
  544   2HG2  THR  73          HG22      THR  73   9.008   2.559  -7.072
  545   3HG2  THR  73          HG23      THR  73   9.682   2.089  -8.655
  546    H    PHE  74           H        PHE  74   5.387   2.378  -7.221
  547    HA   PHE  74           HA       PHE  74   6.387  -0.378  -6.605
  548   1HB   PHE  74           HB2      PHE  74   4.725   1.608  -5.015
  549   2HB   PHE  74           HB3      PHE  74   4.917  -0.077  -4.549
  550    HD1  PHE  74           HD1      PHE  74   6.032   2.963  -3.574
  551    HD2  PHE  74           HD2      PHE  74   7.520  -0.925  -4.680
  552    HE1  PHE  74           HE1      PHE  74   8.110   3.376  -2.276
  553    HE2  PHE  74           HE2      PHE  74   9.638  -0.455  -3.489
  554    HZ   PHE  74           HZ       PHE  74   9.957   1.718  -2.328
  555    H    ILE  75           H        ILE  75   4.123   0.930  -8.661
  556    HA   ILE  75           HA       ILE  75   1.785  -0.495  -7.858
  557    HB   ILE  75           HB       ILE  75   2.148   1.401  -9.594
  558   1HG1  ILE  75          HG12      ILE  75   0.017  -0.719  -9.588
  559   2HG1  ILE  75          HG13      ILE  75   0.102   0.830  -8.722
  560   1HG2  ILE  75          HG21      ILE  75   3.442  -0.055 -11.225
  561   2HG2  ILE  75          HG22      ILE  75   1.925  -0.942 -11.507
  562   3HG2  ILE  75          HG23      ILE  75   2.054   0.786 -11.901
  563   1HD1  ILE  75          HD11      ILE  75   0.046   2.052 -10.832
  564   2HD1  ILE  75          HD12      ILE  75  -0.212   0.506 -11.703
  565   3HD1  ILE  75          HD13      ILE  75  -1.414   1.068 -10.533
  566    H    ILE  76           H        ILE  76   1.205  -2.636  -8.132
  567    HA   ILE  76           HA       ILE  76   3.015  -4.361  -9.828
  568    HB   ILE  76           HB       ILE  76   2.068  -6.192  -8.355
  569   1HG1  ILE  76          HG12      ILE  76   1.512  -3.916  -6.402
  570   2HG1  ILE  76          HG13      ILE  76   0.257  -4.616  -7.409
  571   1HG2  ILE  76          HG21      ILE  76   4.398  -5.218  -8.287
  572   2HG2  ILE  76          HG22      ILE  76   3.858  -4.140  -6.988
  573   3HG2  ILE  76          HG23      ILE  76   3.848  -5.911  -6.770
  574   1HD1  ILE  76          HD11      ILE  76   0.113  -6.489  -6.158
  575   2HD1  ILE  76          HD12      ILE  76   1.860  -6.624  -5.941
  576   3HD1  ILE  76          HD13      ILE  76   0.926  -5.508  -4.922
  577    H    GLY  77           H        GLY  77  -0.021  -2.948  -9.836
  578   1HA   GLY  77           HA1      GLY  77  -0.910  -3.770 -12.230
  579   2HA   GLY  77           HA2      GLY  77  -1.444  -5.112 -11.189
  580    H    GLU  78           H        GLU  78  -3.600  -4.710 -11.148
  581    HA   GLU  78           HA       GLU  78  -4.507  -2.269  -9.809
  582   1HB   GLU  78           HB2      GLU  78  -5.048  -2.931 -12.641
  583   2HB   GLU  78           HB3      GLU  78  -6.507  -2.805 -11.676
  584   1HG   GLU  78           HG2      GLU  78  -5.502  -0.550 -10.829
  585   2HG   GLU  78           HG3      GLU  78  -4.405  -0.701 -12.207
  586    H    LEU  79           H        LEU  79  -6.792  -2.458  -9.263
  587    HA   LEU  79           HA       LEU  79  -7.293  -4.830  -7.681
  588   1HB   LEU  79           HB2      LEU  79  -8.022  -2.548  -7.070
  589   2HB   LEU  79           HB3      LEU  79  -8.971  -2.472  -8.561
  590    HG   LEU  79           HG       LEU  79 -10.243  -4.555  -7.611
  591   1HD1  LEU  79          HD11      LEU  79  -9.603  -5.355  -5.641
  592   2HD1  LEU  79          HD12      LEU  79  -8.416  -4.063  -5.405
  593   3HD1  LEU  79          HD13      LEU  79 -10.092  -3.837  -4.881
  594   1HD2  LEU  79          HD21      LEU  79 -11.502  -2.776  -7.913
  595   2HD2  LEU  79          HD22      LEU  79 -11.530  -2.700  -6.144
  596   3HD2  LEU  79          HD23      LEU  79 -10.438  -1.659  -7.054
  597    H    HIS  80           H        HIS  80  -8.406  -6.611  -8.311
  598    HA   HIS  80           HA       HIS  80  -8.896  -7.292 -10.970
  599   1HB   HIS  80           HB2      HIS  80  -8.709  -8.710  -8.815
  600   2HB   HIS  80           HB3      HIS  80 -10.457  -8.522  -8.689
  601    HD1  HIS  80           HD1      HIS  80 -11.779 -10.211 -10.294
  602    HD2  HIS  80           HD2      HIS  80  -7.625 -10.039 -10.879
  603    HE1  HIS  80           HE1      HIS  80 -11.222 -12.042 -11.947
  604    HA   PRO  81           HA       PRO  81 -12.720  -5.320 -11.918
  605   1HB   PRO  81           HB2      PRO  81 -13.551  -6.745 -14.107
  606   2HB   PRO  81           HB3      PRO  81 -12.255  -5.517 -14.109
  607   1HG   PRO  81           HG2      PRO  81 -11.962  -8.519 -13.958
  608   2HG   PRO  81           HG3      PRO  81 -11.001  -7.357 -14.925
  609   1HD   PRO  81           HD2      PRO  81 -10.173  -8.405 -12.567
  610   2HD   PRO  81           HD3      PRO  81  -9.706  -6.762 -13.087
  611    H    ASP  82           H        ASP  82 -12.479  -8.461 -10.655
  612    HA   ASP  82           HA       ASP  82 -15.359  -9.009 -10.537
  613   1HB   ASP  82           HB2      ASP  82 -13.559 -10.783 -10.757
  614   2HB   ASP  82           HB3      ASP  82 -13.160 -10.451  -9.032
  615    H    ASP  83           H        ASP  83 -12.888  -7.333  -8.626
  616    HA   ASP  83           HA       ASP  83 -14.273  -7.503  -6.067
  617   1HB   ASP  83           HB2      ASP  83 -11.897  -7.312  -6.047
  618   2HB   ASP  83           HB3      ASP  83 -11.936  -5.929  -7.162
  619    H    ARG  84           H        ARG  84 -13.703  -5.041  -8.547
  620    HA   ARG  84           HA       ARG  84 -15.181  -2.971  -7.295
  621   1HB   ARG  84           HB2      ARG  84 -14.905  -1.747  -9.380
  622   2HB   ARG  84           HB3      ARG  84 -13.406  -2.566  -8.929
  623   1HG   ARG  84           HG2      ARG  84 -14.119  -4.453 -10.525
  624   2HG   ARG  84           HG3      ARG  84 -15.415  -3.399 -11.050
  625   1HD   ARG  84           HD2      ARG  84 -13.620  -3.186 -12.626
  626   2HD   ARG  84           HD3      ARG  84 -13.811  -1.669 -11.723
  627    HE   ARG  84           HE       ARG  84 -11.785  -3.404 -10.544
  628   1HH1  ARG  84          HH11      ARG  84  -9.031  -1.575 -11.972
  629   2HH1  ARG  84          HH12      ARG  84  -9.475  -2.915 -10.955
  630   1HH2  ARG  84          HH21      ARG  84 -10.679  -0.653 -13.343
  631   2HH2  ARG  84          HH22      ARG  84 -12.351  -1.143 -13.196
  632    HHA  HEM 201           HGM      HEM 201   4.639  10.911   5.129
  633    HHB  HEM 201           HDM      HEM 201   5.705   7.867  -0.473
  634    HHC  HEM 201           HAM      HEM 201   0.719   4.051   0.669
  635    HHD  HEM 201           HBM      HEM 201  -0.014   6.648   6.546
  636   1HMA  HEM 201          HM81      HEM 201   7.615  10.941   0.676
  637   2HMA  HEM 201          HM82      HEM 201   7.509   9.301   0.055
  638   3HMA  HEM 201          HM83      HEM 201   6.343  10.529  -0.484
  639   1HAA  HEM 201          HAA1      HEM 201   6.623  11.872   3.970
  640   2HAA  HEM 201          HAA2      HEM 201   6.908  12.175   2.268
  641   1HBA  HEM 201          HBA1      HEM 201   4.402  12.783   3.859
  642   2HBA  HEM 201          HBA2      HEM 201   4.368  12.678   2.096
  643   1HMB  HEM 201          HM11      HEM 201   4.726   6.691  -2.652
  644   2HMB  HEM 201          HM12      HEM 201   5.838   5.564  -1.835
  645   3HMB  HEM 201          HM13      HEM 201   4.449   4.941  -2.733
  646    HAB  HEM 201          HT2A      HEM 201   1.936   4.123  -2.393
  647   1HBB  HEM 201          HV2C      HEM 201   2.478   2.401   0.015
  648   2HBB  HEM 201          HV2T      HEM 201   1.427   2.043  -1.494
  649   1HMC  HEM 201          HM31      HEM 201  -1.192   2.529   3.043
  650   2HMC  HEM 201          HM32      HEM 201  -2.397   3.775   2.692
  651   3HMC  HEM 201          HM33      HEM 201  -1.166   3.352   1.484
  652    HAC  HEM 201          HT4A      HEM 201  -2.174   5.535   5.862
  653   1HBC  HEM 201          HV4C      HEM 201  -1.268   2.650   5.345
  654   2HBC  HEM 201          HV4T      HEM 201  -2.242   3.295   6.784
  655   1HMD  HEM 201          HM51      HEM 201   1.845   7.740   8.938
  656   2HMD  HEM 201          HM52      HEM 201   1.143   9.363   8.893
  657   3HMD  HEM 201          HM53      HEM 201   0.216   7.997   8.283
  658   1HAD  HEM 201          HAD1      HEM 201   3.543  10.005   8.606
  659   2HAD  HEM 201          HAD2      HEM 201   4.347  10.923   7.356
  660   1HBD  HEM 201          HBD1      HEM 201   2.724  12.538   7.312
  661   2HBD  HEM 201          HBD2      HEM 201   1.463  11.437   7.871
  Start of MODEL   20
    1   1H    ALA   3           H1       ALA   3   2.762  -7.483 -18.059
    2   2H    ALA   3           H2       ALA   3   2.765  -8.833 -18.979
    3   3H    ALA   3           H3       ALA   3   2.843  -7.347 -19.724
    4    HA   ALA   3           HA       ALA   3   0.654  -6.978 -19.546
    5   1HB   ALA   3           HB1      ALA   3  -0.723  -9.063 -19.321
    6   2HB   ALA   3           HB2      ALA   3   0.632  -9.287 -20.445
    7   3HB   ALA   3           HB3      ALA   3   0.721  -9.949 -18.798
    8    H    VAL   4           H        VAL   4  -1.275  -6.880 -17.970
    9    HA   VAL   4           HA       VAL   4  -0.267  -6.724 -15.166
   10    HB   VAL   4           HB       VAL   4  -2.696  -5.437 -16.478
   11   1HG1  VAL   4          HG11      VAL   4  -2.926  -4.252 -14.303
   12   2HG1  VAL   4          HG12      VAL   4  -3.202  -5.984 -14.147
   13   3HG1  VAL   4          HG13      VAL   4  -1.653  -5.288 -13.622
   14   1HG2  VAL   4          HG21      VAL   4   0.097  -4.510 -15.786
   15   2HG2  VAL   4          HG22      VAL   4  -0.914  -4.113 -17.192
   16   3HG2  VAL   4          HG23      VAL   4  -1.239  -3.361 -15.622
   17    H    LYS   5           H        LYS   5  -1.152  -8.007 -13.666
   18    HA   LYS   5           HA       LYS   5  -3.445  -9.775 -14.397
   19   1HB   LYS   5           HB2      LYS   5  -1.302 -11.012 -14.381
   20   2HB   LYS   5           HB3      LYS   5  -1.044 -10.540 -12.689
   21   1HG   LYS   5           HG2      LYS   5  -3.162 -11.710 -12.059
   22   2HG   LYS   5           HG3      LYS   5  -3.446 -12.104 -13.756
   23   1HD   LYS   5           HD2      LYS   5  -2.222 -13.975 -13.556
   24   2HD   LYS   5           HD3      LYS   5  -0.799 -12.975 -13.269
   25   1HE   LYS   5           HE2      LYS   5  -1.758 -12.916 -10.753
   26   2HE   LYS   5           HE3      LYS   5  -2.600 -14.381 -11.282
   27   1HZ   LYS   5           HZ1      LYS   5  -0.489 -14.866 -10.273
   28   2HZ   LYS   5           HZ2      LYS   5  -0.422 -15.290 -11.861
   29   3HZ   LYS   5           HZ3      LYS   5   0.312 -13.911 -11.341
   30    H    TYR   6           H        TYR   6  -4.959  -8.526 -13.463
   31    HA   TYR   6           HA       TYR   6  -4.752  -6.950 -11.183
   32   1HB   TYR   6           HB2      TYR   6  -7.227  -8.476 -12.047
   33   2HB   TYR   6           HB3      TYR   6  -7.135  -6.978 -11.116
   34    HD1  TYR   6           HD1      TYR   6  -7.011  -8.473 -14.485
   35    HD2  TYR   6           HD2      TYR   6  -6.698  -4.855 -12.191
   36    HE1  TYR   6           HE1      TYR   6  -7.250  -7.149 -16.557
   37    HE2  TYR   6           HE2      TYR   6  -6.916  -3.507 -14.280
   38    HH   TYR   6           HH       TYR   6  -7.418  -5.038 -17.470
   39    H    TYR   7           H        TYR   7  -5.518  -7.262  -8.989
   40    HA   TYR   7           HA       TYR   7  -5.309 -10.104  -8.040
   41   1HB   TYR   7           HB2      TYR   7  -4.398  -7.574  -6.695
   42   2HB   TYR   7           HB3      TYR   7  -4.253  -9.197  -6.023
   43    HD1  TYR   7           HD1      TYR   7  -3.071 -10.949  -7.788
   44    HD2  TYR   7           HD2      TYR   7  -2.289  -6.729  -7.421
   45    HE1  TYR   7           HE1      TYR   7  -0.902 -11.246  -8.939
   46    HE2  TYR   7           HE2      TYR   7  -0.133  -7.026  -8.604
   47    HH   TYR   7           HH       TYR   7   0.806 -10.118 -10.076
   48    H    THR   8           H        THR   8  -6.765 -10.781  -6.588
   49    HA   THR   8           HA       THR   8  -9.244  -9.287  -6.251
   50    HB   THR   8           HB       THR   8  -9.949 -11.372  -5.122
   51    HG1  THR   8           HG1      THR   8  -8.056 -13.077  -5.263
   52   1HG2  THR   8          HG21      THR   8  -9.949 -11.248  -7.624
   53   2HG2  THR   8          HG22      THR   8  -8.362 -12.043  -7.651
   54   3HG2  THR   8          HG23      THR   8  -9.778 -12.894  -7.005
   55    H    LEU   9           H        LEU   9 -10.103  -8.703  -4.155
   56    HA   LEU   9           HA       LEU   9  -8.366  -7.549  -2.319
   57   1HB   LEU   9           HB2      LEU   9 -11.116  -7.814  -2.637
   58   2HB   LEU   9           HB3      LEU   9 -10.860  -8.641  -1.128
   59    HG   LEU   9           HG       LEU   9  -9.949  -5.810  -1.803
   60   1HD1  LEU   9          HD11      LEU   9 -11.828  -4.978  -0.865
   61   2HD1  LEU   9          HD12      LEU   9 -12.524  -6.572  -1.205
   62   3HD1  LEU   9          HD13      LEU   9 -11.906  -6.213   0.405
   63   1HD2  LEU   9          HD21      LEU   9  -9.469  -5.577   0.630
   64   2HD2  LEU   9          HD22      LEU   9  -9.825  -7.300   0.856
   65   3HD2  LEU   9          HD23      LEU   9  -8.420  -6.792  -0.111
   66    H    GLU  10           H        GLU  10  -9.684 -10.843  -2.435
   67    HA   GLU  10           HA       GLU  10  -8.681 -11.871  -0.032
   68   1HB   GLU  10           HB2      GLU  10 -10.213 -13.011  -1.727
   69   2HB   GLU  10           HB3      GLU  10  -8.765 -13.439  -2.628
   70   1HG   GLU  10           HG2      GLU  10  -9.352 -15.309  -1.227
   71   2HG   GLU  10           HG3      GLU  10  -7.875 -14.600  -0.571
   72    H    GLU  11           H        GLU  11  -7.084 -12.219  -3.263
   73    HA   GLU  11           HA       GLU  11  -4.675 -13.253  -2.236
   74   1HB   GLU  11           HB2      GLU  11  -5.561 -12.063  -4.806
   75   2HB   GLU  11           HB3      GLU  11  -3.873 -11.744  -4.447
   76   1HG   GLU  11           HG2      GLU  11  -4.103 -13.849  -5.698
   77   2HG   GLU  11           HG3      GLU  11  -3.451 -14.144  -4.082
   78    H    ILE  12           H        ILE  12  -5.540  -9.835  -2.836
   79    HA   ILE  12           HA       ILE  12  -3.110  -8.745  -1.937
   80    HB   ILE  12           HB       ILE  12  -5.947  -7.640  -1.726
   81   1HG1  ILE  12          HG12      ILE  12  -4.920  -8.363  -4.060
   82   2HG1  ILE  12          HG13      ILE  12  -5.766  -6.835  -3.883
   83   1HG2  ILE  12          HG21      ILE  12  -4.805  -6.101  -0.421
   84   2HG2  ILE  12          HG22      ILE  12  -3.260  -6.349  -1.266
   85   3HG2  ILE  12          HG23      ILE  12  -4.538  -5.417  -2.037
   86   1HD1  ILE  12          HD11      ILE  12  -3.295  -7.124  -4.987
   87   2HD1  ILE  12          HD12      ILE  12  -3.925  -5.647  -4.218
   88   3HD1  ILE  12          HD13      ILE  12  -2.825  -6.735  -3.356
   89    H    GLN  13           H        GLN  13  -6.022  -9.669   0.004
   90    HA   GLN  13           HA       GLN  13  -5.007  -8.872   2.531
   91   1HB   GLN  13           HB2      GLN  13  -7.181 -10.792   1.599
   92   2HB   GLN  13           HB3      GLN  13  -6.656 -10.718   3.261
   93   1HG   GLN  13           HG2      GLN  13  -7.028  -8.043   2.739
   94   2HG   GLN  13           HG3      GLN  13  -8.256  -8.759   1.721
   95   1HE2  GLN  13          HE21      GLN  13 -10.167  -9.415   2.733
   96   2HE2  GLN  13          HE22      GLN  13 -10.351  -9.518   4.476
   97    H    LYS  14           H        LYS  14  -4.438 -11.859   0.612
   98    HA   LYS  14           HA       LYS  14  -3.284 -13.277   2.813
   99   1HB   LYS  14           HB2      LYS  14  -2.685 -13.457  -0.167
  100   2HB   LYS  14           HB3      LYS  14  -2.003 -14.512   1.067
  101   1HG   LYS  14           HG2      LYS  14  -4.250 -15.209   1.761
  102   2HG   LYS  14           HG3      LYS  14  -4.987 -14.157   0.549
  103   1HD   LYS  14           HD2      LYS  14  -4.123 -15.378  -1.284
  104   2HD   LYS  14           HD3      LYS  14  -2.969 -16.278  -0.304
  105   1HE   LYS  14           HE2      LYS  14  -5.994 -16.483   0.081
  106   2HE   LYS  14           HE3      LYS  14  -5.125 -17.495  -1.078
  107   1HZ   LYS  14           HZ1      LYS  14  -5.449 -18.506   1.132
  108   2HZ   LYS  14           HZ2      LYS  14  -3.875 -18.449   0.654
  109   3HZ   LYS  14           HZ3      LYS  14  -4.434 -17.388   1.781
  110    H    HIS  15           H        HIS  15  -2.159 -10.380   1.239
  111    HA   HIS  15           HA       HIS  15   0.615 -10.808   2.245
  112   1HB   HIS  15           HB2      HIS  15  -0.484  -8.938   0.128
  113   2HB   HIS  15           HB3      HIS  15   1.163  -8.932   0.722
  114    HD1  HIS  15           HD1      HIS  15   2.470  -9.793  -1.367
  115    HD2  HIS  15           HD2      HIS  15  -1.049 -11.930  -0.572
  116    HE1  HIS  15           HE1      HIS  15   2.397 -11.732  -3.015
  117    H    ASN  16           H        ASN  16  -0.458 -10.441   4.420
  118    HA   ASN  16           HA       ASN  16   0.155  -7.707   5.235
  119   1HB   ASN  16           HB2      ASN  16  -2.004  -7.202   6.271
  120   2HB   ASN  16           HB3      ASN  16  -2.142  -7.412   4.533
  121   1HD2  ASN  16          HD21      ASN  16  -4.556  -7.644   5.238
  122   2HD2  ASN  16          HD22      ASN  16  -5.021  -9.317   5.487
  123    H    ASN  17           H        ASN  17   1.470 -10.081   5.956
  124    HA   ASN  17           HA       ASN  17   1.264  -9.840   8.838
  125   1HB   ASN  17           HB2      ASN  17  -0.370 -11.891   7.634
  126   2HB   ASN  17           HB3      ASN  17   0.973 -12.710   8.419
  127   1HD2  ASN  17          HD21      ASN  17  -1.438 -10.120   9.043
  128   2HD2  ASN  17          HD22      ASN  17  -1.731 -10.614  10.713
  129    H    SER  18           H        SER  18   2.310 -12.525   6.693
  130    HA   SER  18           HA       SER  18   4.562 -13.261   7.868
  131   1HB   SER  18           HB2      SER  18   4.293 -13.036   4.838
  132   2HB   SER  18           HB3      SER  18   5.046 -14.335   5.787
  133    HG   SER  18           HG       SER  18   2.870 -14.816   5.067
  134    H    LYS  19           H        LYS  19   4.454 -10.806   5.277
  135    HA   LYS  19           HA       LYS  19   6.056  -8.983   6.536
  136   1HB   LYS  19           HB2      LYS  19   7.699 -11.003   5.192
  137   2HB   LYS  19           HB3      LYS  19   7.835  -9.464   4.349
  138   1HG   LYS  19           HG2      LYS  19   8.249  -8.379   6.654
  139   2HG   LYS  19           HG3      LYS  19   8.385 -10.026   7.283
  140   1HD   LYS  19           HD2      LYS  19  10.579  -9.859   6.744
  141   2HD   LYS  19           HD3      LYS  19  10.048 -10.147   5.080
  142   1HE   LYS  19           HE2      LYS  19   9.746  -7.524   4.955
  143   2HE   LYS  19           HE3      LYS  19  10.642  -7.498   6.484
  144   1HZ   LYS  19           HZ1      LYS  19  12.300  -8.912   5.082
  145   2HZ   LYS  19           HZ2      LYS  19  11.567  -8.152   3.817
  146   3HZ   LYS  19           HZ3      LYS  19  12.295  -7.270   4.999
  147    H    SER  20           H        SER  20   5.272 -10.437   3.401
  148    HA   SER  20           HA       SER  20   5.252  -8.449   1.522
  149   1HB   SER  20           HB2      SER  20   3.323  -9.693   0.622
  150   2HB   SER  20           HB3      SER  20   4.746 -10.678   0.994
  151    HG   SER  20           HG       SER  20   2.550 -10.271   2.738
  152    H    THR  21           H        THR  21   4.702  -6.364   2.269
  153    HA   THR  21           HA       THR  21   1.994  -5.894   3.438
  154    HB   THR  21           HB       THR  21   4.360  -4.016   3.131
  155    HG1  THR  21           HG1      THR  21   4.598  -5.960   4.470
  156   1HG2  THR  21          HG21      THR  21   1.959  -3.899   4.939
  157   2HG2  THR  21          HG22      THR  21   3.211  -2.683   4.866
  158   3HG2  THR  21          HG23      THR  21   2.146  -2.892   3.471
  159    H    TRP  22           H        TRP  22   0.686  -6.206   1.626
  160    HA   TRP  22           HA       TRP  22   1.003  -4.308  -0.671
  161   1HB   TRP  22           HB2      TRP  22  -0.608  -6.851  -0.276
  162   2HB   TRP  22           HB3      TRP  22  -0.787  -5.788  -1.655
  163    HD1  TRP  22           HD1      TRP  22   2.806  -6.095  -0.813
  164    HE1  TRP  22           HE1      TRP  22   3.995  -7.265  -2.624
  165    HE3  TRP  22           HE3      TRP  22  -1.265  -8.174  -3.053
  166    HZ2  TRP  22           HZ2      TRP  22   3.252  -9.009  -4.939
  167    HZ3  TRP  22           HZ3      TRP  22  -1.051  -9.504  -5.087
  168    HH2  TRP  22           HH2      TRP  22   1.223  -9.934  -6.076
  169    H    LEU  23           H        LEU  23  -1.359  -3.601  -1.462
  170    HA   LEU  23           HA       LEU  23  -3.496  -3.386   0.330
  171   1HB   LEU  23           HB2      LEU  23  -3.199  -0.849   0.819
  172   2HB   LEU  23           HB3      LEU  23  -2.452  -2.032   1.829
  173    HG   LEU  23           HG       LEU  23  -0.275  -1.674   0.387
  174   1HD1  LEU  23          HD11      LEU  23  -1.907   0.768  -0.297
  175   2HD1  LEU  23          HD12      LEU  23  -0.169   0.608  -0.585
  176   3HD1  LEU  23          HD13      LEU  23  -1.310  -0.436  -1.456
  177   1HD2  LEU  23          HD21      LEU  23  -1.394   0.444   2.218
  178   2HD2  LEU  23          HD22      LEU  23  -0.491  -1.005   2.704
  179   3HD2  LEU  23          HD23      LEU  23   0.327   0.251   1.752
  180    H    ILE  24           H        ILE  24  -5.000  -1.552  -0.398
  181    HA   ILE  24           HA       ILE  24  -4.737  -1.171  -3.357
  182    HB   ILE  24           HB       ILE  24  -7.170  -1.777  -1.681
  183   1HG1  ILE  24          HG12      ILE  24  -6.273  -3.306  -4.143
  184   2HG1  ILE  24          HG13      ILE  24  -5.405  -3.568  -2.652
  185   1HG2  ILE  24          HG21      ILE  24  -8.140  -1.836  -4.193
  186   2HG2  ILE  24          HG22      ILE  24  -8.129  -0.347  -3.244
  187   3HG2  ILE  24          HG23      ILE  24  -6.866  -0.641  -4.462
  188   1HD1  ILE  24          HD11      ILE  24  -7.786  -4.843  -3.346
  189   2HD1  ILE  24          HD12      ILE  24  -7.003  -4.856  -1.766
  190   3HD1  ILE  24          HD13      ILE  24  -8.279  -3.676  -2.106
  191    H    LEU  25           H        LEU  25  -4.338   0.856  -3.803
  192    HA   LEU  25           HA       LEU  25  -5.644   3.117  -2.303
  193   1HB   LEU  25           HB2      LEU  25  -2.874   2.719  -3.379
  194   2HB   LEU  25           HB3      LEU  25  -3.599   4.324  -3.366
  195    HG   LEU  25           HG       LEU  25  -3.357   4.701  -1.248
  196   1HD1  LEU  25          HD11      LEU  25  -3.702   1.771  -0.729
  197   2HD1  LEU  25          HD12      LEU  25  -3.263   2.969   0.529
  198   3HD1  LEU  25          HD13      LEU  25  -4.777   3.125  -0.372
  199   1HD2  LEU  25          HD21      LEU  25  -1.229   2.584  -1.808
  200   2HD2  LEU  25          HD22      LEU  25  -1.160   4.346  -2.029
  201   3HD2  LEU  25          HD23      LEU  25  -1.203   3.651  -0.400
  202    H    HIS  26           H        HIS  26  -7.443   3.234  -3.597
  203    HA   HIS  26           HA       HIS  26  -8.682   3.941  -5.351
  204   1HB   HIS  26           HB2      HIS  26  -6.160   4.914  -6.738
  205   2HB   HIS  26           HB3      HIS  26  -7.823   5.422  -7.010
  206    HD1  HIS  26           HD1      HIS  26  -8.847   7.152  -5.180
  207    HD2  HIS  26           HD2      HIS  26  -4.882   5.877  -4.599
  208    HE1  HIS  26           HE1      HIS  26  -7.858   8.666  -3.402
  209    H    TYR  27           H        TYR  27  -8.367   1.357  -5.333
  210    HA   TYR  27           HA       TYR  27  -8.502  -0.541  -6.548
  211   1HB   TYR  27           HB2      TYR  27  -8.756   1.191  -9.022
  212   2HB   TYR  27           HB3      TYR  27  -9.416  -0.407  -8.772
  213    HD1  TYR  27           HD1      TYR  27 -10.727  -0.116  -6.068
  214    HD2  TYR  27           HD2      TYR  27 -10.621   2.547  -9.461
  215    HE1  TYR  27           HE1      TYR  27 -13.015   0.620  -5.555
  216    HE2  TYR  27           HE2      TYR  27 -12.856   3.414  -8.830
  217    HH   TYR  27           HH       TYR  27 -14.815   1.886  -6.278
  218    H    LYS  28           H        LYS  28  -5.787   0.937  -6.337
  219    HA   LYS  28           HA       LYS  28  -4.336  -0.545  -8.486
  220   1HB   LYS  28           HB2      LYS  28  -3.807   2.153  -7.247
  221   2HB   LYS  28           HB3      LYS  28  -2.630   1.273  -8.202
  222   1HG   LYS  28           HG2      LYS  28  -5.223   1.509  -9.590
  223   2HG   LYS  28           HG3      LYS  28  -4.646   3.084  -9.040
  224   1HD   LYS  28           HD2      LYS  28  -2.400   2.571 -10.095
  225   2HD   LYS  28           HD3      LYS  28  -3.092   1.067 -10.719
  226   1HE   LYS  28           HE2      LYS  28  -4.944   2.664 -11.753
  227   2HE   LYS  28           HE3      LYS  28  -3.746   3.937 -11.476
  228   1HZ   LYS  28           HZ1      LYS  28  -2.215   2.423 -12.816
  229   2HZ   LYS  28           HZ2      LYS  28  -3.514   1.513 -13.139
  230   3HZ   LYS  28           HZ3      LYS  28  -3.486   3.056 -13.678
  231    H    VAL  29           H        VAL  29  -2.862  -2.009  -7.742
  232    HA   VAL  29           HA       VAL  29  -2.575  -2.311  -4.852
  233    HB   VAL  29           HB       VAL  29  -1.648  -4.091  -7.119
  234   1HG1  VAL  29          HG11      VAL  29  -0.542  -4.373  -4.908
  235   2HG1  VAL  29          HG12      VAL  29  -2.095  -4.506  -4.125
  236   3HG1  VAL  29          HG13      VAL  29  -1.561  -5.750  -5.298
  237   1HG2  VAL  29          HG21      VAL  29  -4.299  -3.934  -5.648
  238   2HG2  VAL  29          HG22      VAL  29  -4.010  -3.858  -7.395
  239   3HG2  VAL  29          HG23      VAL  29  -3.756  -5.370  -6.542
  240    H    TYR  30           H        TYR  30  -0.697  -1.879  -3.814
  241    HA   TYR  30           HA       TYR  30   1.759  -1.169  -5.379
  242   1HB   TYR  30           HB2      TYR  30   0.617   0.050  -2.846
  243   2HB   TYR  30           HB3      TYR  30   2.181   0.452  -3.548
  244    HD1  TYR  30           HD1      TYR  30   2.300   1.580  -5.738
  245    HD2  TYR  30           HD2      TYR  30  -1.489   0.776  -3.914
  246    HE1  TYR  30           HE1      TYR  30   1.190   3.158  -7.332
  247    HE2  TYR  30           HE2      TYR  30  -2.578   2.332  -5.500
  248    HH   TYR  30           HH       TYR  30  -0.703   4.166  -7.924
  249    H    ASP  31           H        ASP  31   3.467  -2.465  -4.888
  250    HA   ASP  31           HA       ASP  31   3.440  -4.008  -2.316
  251   1HB   ASP  31           HB2      ASP  31   4.056  -5.374  -4.234
  252   2HB   ASP  31           HB3      ASP  31   5.314  -4.205  -4.696
  253    H    LEU  32           H        LEU  32   4.188  -2.736  -0.680
  254    HA   LEU  32           HA       LEU  32   6.664  -1.157  -1.185
  255   1HB   LEU  32           HB2      LEU  32   4.628  -0.569   0.936
  256   2HB   LEU  32           HB3      LEU  32   5.946   0.440   0.460
  257    HG   LEU  32           HG       LEU  32   4.342  -0.023  -1.921
  258   1HD1  LEU  32          HD11      LEU  32   2.735   1.264   0.293
  259   2HD1  LEU  32          HD12      LEU  32   2.217   0.785  -1.324
  260   3HD1  LEU  32          HD13      LEU  32   2.560  -0.457  -0.129
  261   1HD2  LEU  32          HD21      LEU  32   4.467   2.290  -2.132
  262   2HD2  LEU  32          HD22      LEU  32   4.767   2.529  -0.382
  263   3HD2  LEU  32          HD23      LEU  32   5.989   1.763  -1.418
  264    H    THR  33           H        THR  33   6.114  -4.031  -0.444
  265    HA   THR  33           HA       THR  33   6.401  -4.344   2.344
  266    HB   THR  33           HB       THR  33   5.703  -6.044   0.525
  267    HG1  THR  33           HG1      THR  33   7.422  -6.535   2.734
  268   1HG2  THR  33          HG21      THR  33   7.825  -5.972  -0.809
  269   2HG2  THR  33          HG22      THR  33   8.666  -6.760   0.544
  270   3HG2  THR  33          HG23      THR  33   7.333  -7.583  -0.284
  271    H    LYS  34           H        LYS  34   8.730  -3.812  -0.181
  272    HA   LYS  34           HA       LYS  34  10.955  -4.067   1.764
  273   1HB   LYS  34           HB2      LYS  34  10.697  -5.104  -0.762
  274   2HB   LYS  34           HB3      LYS  34  11.484  -3.587  -1.163
  275   1HG   LYS  34           HG2      LYS  34  12.740  -4.974   1.155
  276   2HG   LYS  34           HG3      LYS  34  12.634  -6.008  -0.266
  277   1HD   LYS  34           HD2      LYS  34  13.916  -4.522  -1.593
  278   2HD   LYS  34           HD3      LYS  34  13.753  -3.182  -0.431
  279   1HE   LYS  34           HE2      LYS  34  15.081  -4.380   1.247
  280   2HE   LYS  34           HE3      LYS  34  15.142  -5.828   0.223
  281   1HZ   LYS  34           HZ1      LYS  34  17.156  -4.745  -0.036
  282   2HZ   LYS  34           HZ2      LYS  34  16.333  -4.375  -1.410
  283   3HZ   LYS  34           HZ3      LYS  34  16.484  -3.253  -0.211
  284    H    PHE  35           H        PHE  35   8.894  -1.878   1.637
  285    HA   PHE  35           HA       PHE  35  10.835   0.347   1.587
  286   1HB   PHE  35           HB2      PHE  35   8.903   0.109  -0.307
  287   2HB   PHE  35           HB3      PHE  35   7.966   0.807   0.963
  288    HD1  PHE  35           HD1      PHE  35   7.582   3.099   0.630
  289    HD2  PHE  35           HD2      PHE  35  11.492   1.475  -0.249
  290    HE1  PHE  35           HE1      PHE  35   8.402   5.361   0.030
  291    HE2  PHE  35           HE2      PHE  35  12.299   3.730  -0.816
  292    HZ   PHE  35           HZ       PHE  35  10.764   5.681  -0.691
  293    H    LEU  36           H        LEU  36   9.336  -1.541   3.679
  294    HA   LEU  36           HA       LEU  36   7.603   0.214   5.087
  295   1HB   LEU  36           HB2      LEU  36   9.166  -2.235   6.033
  296   2HB   LEU  36           HB3      LEU  36   7.864  -1.470   6.954
  297    HG   LEU  36           HG       LEU  36   7.474  -2.556   4.130
  298   1HD1  LEU  36          HD11      LEU  36   6.314  -4.417   5.464
  299   2HD1  LEU  36          HD12      LEU  36   8.074  -4.477   5.357
  300   3HD1  LEU  36          HD13      LEU  36   7.296  -3.889   6.845
  301   1HD2  LEU  36          HD21      LEU  36   5.804  -0.831   5.286
  302   2HD2  LEU  36          HD22      LEU  36   5.259  -2.243   4.403
  303   3HD2  LEU  36          HD23      LEU  36   5.299  -2.263   6.189
  304    H    GLU  37           H        GLU  37  10.816  -0.875   6.211
  305    HA   GLU  37           HA       GLU  37  11.196   1.152   8.144
  306   1HB   GLU  37           HB2      GLU  37  12.928  -0.805   6.642
  307   2HB   GLU  37           HB3      GLU  37  13.730   0.504   7.515
  308   1HG   GLU  37           HG2      GLU  37  12.803  -0.144   9.603
  309   2HG   GLU  37           HG3      GLU  37  11.638  -1.246   8.864
  310    H    GLU  38           H        GLU  38  11.606   1.189   4.648
  311    HA   GLU  38           HA       GLU  38  13.158   3.613   4.502
  312   1HB   GLU  38           HB2      GLU  38  11.400   2.253   2.470
  313   2HB   GLU  38           HB3      GLU  38  12.585   3.484   2.103
  314   1HG   GLU  38           HG2      GLU  38  13.746   1.151   3.575
  315   2HG   GLU  38           HG3      GLU  38  13.077   0.764   1.986
  316    H    HIS  39           HN       HIS  39   9.632   2.873   4.417
  317    HA   HIS  39           HA       HIS  39   8.792   5.276   3.289
  318   1HB   HIS  39           HB2      HIS  39   7.300   3.418   3.388
  319   2HB   HIS  39           HB3      HIS  39   7.384   3.367   5.150
  320    HD1  HIS  39           HND      HIS  39   5.676   4.721   6.445
  321    HD2  HIS  39           HD       HIS  39   5.786   5.556   2.331
  322    HE1  HIS  39           HE       HIS  39   3.613   6.120   5.937
  323    HA   PRO  40           HA       PRO  40   9.957   7.942   6.606
  324   1HB   PRO  40           HB2      PRO  40   8.851  10.330   5.833
  325   2HB   PRO  40           HB3      PRO  40  10.224   9.557   4.985
  326   1HG   PRO  40           HG2      PRO  40   7.290   9.369   4.301
  327   2HG   PRO  40           HG3      PRO  40   8.630   9.796   3.189
  328   1HD   PRO  40           HD2      PRO  40   7.639   7.289   3.309
  329   2HD   PRO  40           HD3      PRO  40   9.406   7.536   3.168
  330    H    GLY  41           H        GLY  41   6.525   7.463   5.909
  331   1HA   GLY  41           HA1      GLY  41   5.498   8.911   8.184
  332   2HA   GLY  41           HA2      GLY  41   4.642   7.724   7.220
  333    H    GLY  42           H        GLY  42   4.455   5.586   7.962
  334   1HA   GLY  42           HA1      GLY  42   6.133   4.707  10.226
  335   2HA   GLY  42           HA2      GLY  42   4.387   4.807  10.486
  336    H    GLU  43           H        GLU  43   6.686   2.636   9.914
  337    HA   GLU  43           HA       GLU  43   5.679   0.996   7.811
  338   1HB   GLU  43           HB2      GLU  43   7.047  -0.734   8.921
  339   2HB   GLU  43           HB3      GLU  43   7.916   0.805   8.823
  340   1HG   GLU  43           HG2      GLU  43   7.019   1.169  11.304
  341   2HG   GLU  43           HG3      GLU  43   6.721  -0.579  11.243
  342    H    ALA  44           H        ALA  44   4.925   1.266  11.287
  343    HA   ALA  44           HA       ALA  44   3.322  -1.008  11.537
  344   1HB   ALA  44           HB1      ALA  44   2.614  -0.168  13.594
  345   2HB   ALA  44           HB2      ALA  44   4.170   0.652  13.369
  346   3HB   ALA  44           HB3      ALA  44   2.651   1.524  13.069
  347    H    VAL  45           H        VAL  45   2.247   2.377  10.903
  348    HA   VAL  45           HA       VAL  45  -0.436   1.680  10.310
  349    HB   VAL  45           HB       VAL  45   0.159   3.911  10.887
  350   1HG1  VAL  45          HG11      VAL  45   1.519   4.197   8.175
  351   2HG1  VAL  45          HG12      VAL  45   1.251   5.469   9.385
  352   3HG1  VAL  45          HG13      VAL  45   2.328   4.129   9.764
  353   1HG2  VAL  45          HG21      VAL  45  -1.219   5.111   9.299
  354   2HG2  VAL  45          HG22      VAL  45  -0.969   3.853   8.076
  355   3HG2  VAL  45          HG23      VAL  45  -1.892   3.492   9.547
  356    H    LEU  46           H        LEU  46   2.502   1.879   8.023
  357    HA   LEU  46           HA       LEU  46   0.897   1.148   5.828
  358   1HB   LEU  46           HB2      LEU  46   3.681   1.428   6.401
  359   2HB   LEU  46           HB3      LEU  46   3.509  -0.186   5.755
  360    HG   LEU  46           HG       LEU  46   1.982   1.847   4.199
  361   1HD1  LEU  46          HD11      LEU  46   3.743   3.259   4.986
  362   2HD1  LEU  46          HD12      LEU  46   4.981   2.151   4.338
  363   3HD1  LEU  46          HD13      LEU  46   3.854   2.991   3.239
  364   1HD2  LEU  46          HD21      LEU  46   4.159  -0.154   3.462
  365   2HD2  LEU  46          HD22      LEU  46   2.400  -0.430   3.365
  366   3HD2  LEU  46          HD23      LEU  46   3.173   0.792   2.341
  367    H    ARG  47           H        ARG  47   2.160  -0.940   8.395
  368    HA   ARG  47           HA       ARG  47   1.549  -3.416   7.060
  369   1HB   ARG  47           HB2      ARG  47   3.298  -3.001   8.880
  370   2HB   ARG  47           HB3      ARG  47   1.952  -2.967  10.015
  371   1HG   ARG  47           HG2      ARG  47   2.550  -5.181  10.159
  372   2HG   ARG  47           HG3      ARG  47   1.295  -5.303   8.940
  373   1HD   ARG  47           HD2      ARG  47   2.757  -6.253   7.515
  374   2HD   ARG  47           HD3      ARG  47   3.712  -4.766   7.513
  375    HE   ARG  47           HE       ARG  47   4.144  -6.496   9.844
  376   1HH1  ARG  47          HH11      ARG  47   7.376  -7.411   8.830
  377   2HH1  ARG  47          HH12      ARG  47   6.242  -7.371  10.134
  378   1HH2  ARG  47          HH21      ARG  47   6.695  -6.556   6.671
  379   2HH2  ARG  47          HH22      ARG  47   5.079  -5.985   6.479
  380    H    ALA  48           H        ALA  48  -0.103  -1.368   9.440
  381    HA   ALA  48           HA       ALA  48  -2.220  -3.214  10.080
  382   1HB   ALA  48           HB1      ALA  48  -1.624  -0.300  10.530
  383   2HB   ALA  48           HB2      ALA  48  -3.286  -0.871  10.784
  384   3HB   ALA  48           HB3      ALA  48  -1.947  -1.592  11.703
  385    H    GLN  49           H        GLN  49  -2.063  -0.335   7.886
  386    HA   GLN  49           HA       GLN  49  -4.691  -0.846   6.807
  387   1HB   GLN  49           HB2      GLN  49  -2.369   1.022   6.288
  388   2HB   GLN  49           HB3      GLN  49  -3.597   0.830   5.067
  389   1HG   GLN  49           HG2      GLN  49  -4.158   2.705   6.448
  390   2HG   GLN  49           HG3      GLN  49  -5.376   1.425   6.595
  391   1HE2  GLN  49          HE21      GLN  49  -6.024   2.785   8.552
  392   2HE2  GLN  49          HE22      GLN  49  -5.170   2.410  10.036
  393    H    ALA  50           H        ALA  50  -1.603  -2.306   6.238
  394    HA   ALA  50           HA       ALA  50  -1.902  -2.952   3.564
  395   1HB   ALA  50           HB1      ALA  50  -0.608  -5.196   4.687
  396   2HB   ALA  50           HB2      ALA  50   0.066  -3.772   3.885
  397   3HB   ALA  50           HB3      ALA  50  -0.143  -3.787   5.646
  398    H    GLY  51           H        GLY  51  -2.347  -4.917   2.513
  399   1HA   GLY  51           HA1      GLY  51  -3.952  -6.311   1.711
  400   2HA   GLY  51           HA2      GLY  51  -3.841  -7.117   3.273
  401    H    GLY  52           H        GLY  52  -5.163  -4.005   1.941
  402   1HA   GLY  52           HA1      GLY  52  -7.870  -4.651   2.459
  403   2HA   GLY  52           HA2      GLY  52  -7.211  -3.740   3.839
  404    H    ASP  53           H        ASP  53  -9.180  -2.560   2.548
  405    HA   ASP  53           HA       ASP  53  -8.380  -0.667   0.529
  406   1HB   ASP  53           HB2      ASP  53 -10.739  -1.063   2.361
  407   2HB   ASP  53           HB3      ASP  53 -10.423   0.575   1.790
  408    H    ALA  54           H        ALA  54  -6.593   0.475   0.981
  409    HA   ALA  54           HA       ALA  54  -6.530   2.031   3.557
  410   1HB   ALA  54           HB1      ALA  54  -4.639   0.521   3.213
  411   2HB   ALA  54           HB2      ALA  54  -4.260   1.324   1.690
  412   3HB   ALA  54           HB3      ALA  54  -4.173   2.255   3.212
  413    H    THR  55           H        THR  55  -7.792   2.379   0.594
  414    HA   THR  55           HA       THR  55  -6.434   4.601  -0.534
  415    HB   THR  55           HB       THR  55  -9.386   3.860  -0.753
  416    HG1  THR  55           HG1      THR  55  -7.527   2.250  -1.336
  417   1HG2  THR  55          HG21      THR  55  -7.448   5.339  -2.577
  418   2HG2  THR  55          HG22      THR  55  -9.116   4.905  -3.016
  419   3HG2  THR  55          HG23      THR  55  -8.812   6.092  -1.730
  420    H    ALA  56           H        ALA  56  -9.353   4.537   1.554
  421    HA   ALA  56           HA       ALA  56  -9.580   7.337   1.896
  422   1HB   ALA  56           HB1      ALA  56 -10.402   5.046   3.732
  423   2HB   ALA  56           HB2      ALA  56 -10.899   6.741   3.927
  424   3HB   ALA  56           HB3      ALA  56 -11.392   5.836   2.483
  425    H    ASN  57           H        ASN  57  -7.825   4.912   3.868
  426    HA   ASN  57           HA       ASN  57  -6.974   6.648   5.939
  427   1HB   ASN  57           HB2      ASN  57  -5.691   4.103   4.831
  428   2HB   ASN  57           HB3      ASN  57  -5.197   4.940   6.304
  429   1HD2  ASN  57          HD21      ASN  57  -7.895   2.977   4.877
  430   2HD2  ASN  57          HD22      ASN  57  -8.588   2.653   6.437
  431    H    PHE  58           H        PHE  58  -5.291   5.584   2.985
  432    HA   PHE  58           HA       PHE  58  -2.885   7.020   3.173
  433   1HB   PHE  58           HB2      PHE  58  -3.325   5.280   1.530
  434   2HB   PHE  58           HB3      PHE  58  -4.582   6.235   0.767
  435    HD1  PHE  58           HD1      PHE  58  -1.007   5.636   0.979
  436    HD2  PHE  58           HD2      PHE  58  -4.019   8.300  -0.580
  437    HE1  PHE  58           HE1      PHE  58   0.644   6.609  -0.604
  438    HE2  PHE  58           HE2      PHE  58  -2.400   9.226  -2.157
  439    HZ   PHE  58           HZ       PHE  58  -0.054   8.359  -2.213
  440    H    GLU  59           H        GLU  59  -5.935   7.967   1.509
  441    HA   GLU  59           HA       GLU  59  -5.087  10.563   0.766
  442   1HB   GLU  59           HB2      GLU  59  -7.813   9.327   1.282
  443   2HB   GLU  59           HB3      GLU  59  -7.615  10.935   0.573
  444   1HG   GLU  59           HG2      GLU  59  -6.306   8.487  -0.697
  445   2HG   GLU  59           HG3      GLU  59  -7.969   8.960  -1.030
  446    H    ALA  60           H        ALA  60  -6.772   9.376   3.689
  447    HA   ALA  60           HA       ALA  60  -7.478  11.821   4.853
  448   1HB   ALA  60           HB1      ALA  60  -6.570   9.317   6.351
  449   2HB   ALA  60           HB2      ALA  60  -7.608  10.617   6.954
  450   3HB   ALA  60           HB3      ALA  60  -8.189   9.543   5.668
  451    H    VAL  61           H        VAL  61  -4.451   9.936   5.181
  452    HA   VAL  61           HA       VAL  61  -3.082  11.930   6.784
  453    HB   VAL  61           HB       VAL  61  -2.091   9.641   5.041
  454   1HG1  VAL  61          HG11      VAL  61  -0.564  11.832   6.255
  455   2HG1  VAL  61          HG12      VAL  61  -0.167  10.299   7.001
  456   3HG1  VAL  61          HG13      VAL  61  -0.012  10.483   5.244
  457   1HG2  VAL  61          HG21      VAL  61  -2.295   9.915   8.073
  458   2HG2  VAL  61          HG22      VAL  61  -3.456   9.026   7.071
  459   3HG2  VAL  61          HG23      VAL  61  -1.780   8.482   7.158
  460    H    GLY  62           H        GLY  62  -3.013  11.118   3.273
  461   1HA   GLY  62           HA1      GLY  62  -2.885  12.653   1.513
  462   2HA   GLY  62           HA2      GLY  62  -2.392  13.954   2.608
  463    H    HIS  63           HN       HIS  63  -1.022  13.528   0.229
  464    HA   HIS  63           HA       HIS  63   1.665  12.602   0.929
  465   1HB   HIS  63           HB2      HIS  63  -0.332  11.085  -0.807
  466   2HB   HIS  63           HB3      HIS  63   1.384  10.947  -1.097
  467    HD1  HIS  63           HND      HIS  63  -1.241   9.478   1.161
  468    HD2  HIS  63           HD       HIS  63   2.916   9.911   0.889
  469    HE1  HIS  63           HE       HIS  63  -0.256   7.743   2.718
  470    H    SER  64           H        SER  64   3.120  13.709  -0.368
  471    HA   SER  64           HA       SER  64   2.137  15.793  -2.095
  472   1HB   SER  64           HB2      SER  64   4.776  14.932  -0.975
  473   2HB   SER  64           HB3      SER  64   4.872  15.806  -2.492
  474    HG   SER  64           HG       SER  64   3.632  17.474  -1.563
  475    H    THR  65           H        THR  65   3.502  16.242  -4.235
  476    HA   THR  65           HA       THR  65   2.550  14.528  -6.247
  477    HB   THR  65           HB       THR  65   4.255  15.878  -7.626
  478    HG1  THR  65           HG1      THR  65   5.724  16.639  -6.235
  479   1HG2  THR  65          HG21      THR  65   1.818  16.515  -7.249
  480   2HG2  THR  65          HG22      THR  65   2.357  17.521  -5.888
  481   3HG2  THR  65          HG23      THR  65   2.913  17.879  -7.533
  482    H    ASP  66           H        ASP  66   5.830  14.814  -4.832
  483    HA   ASP  66           HA       ASP  66   6.997  12.745  -6.353
  484   1HB   ASP  66           HB2      ASP  66   7.657  14.343  -3.942
  485   2HB   ASP  66           HB3      ASP  66   8.148  12.668  -3.757
  486    H    ALA  67           H        ALA  67   4.967  12.587  -3.428
  487    HA   ALA  67           HA       ALA  67   5.489   9.799  -2.948
  488   1HB   ALA  67           HB1      ALA  67   4.735  11.289  -1.167
  489   2HB   ALA  67           HB2      ALA  67   3.223  11.573  -2.024
  490   3HB   ALA  67           HB3      ALA  67   3.589   9.950  -1.405
  491    H    ARG  68           H        ARG  68   2.724  11.512  -4.621
  492    HA   ARG  68           HA       ARG  68   1.359   9.045  -5.206
  493   1HB   ARG  68           HB2      ARG  68   0.020  10.345  -6.744
  494   2HB   ARG  68           HB3      ARG  68   0.219  11.213  -5.208
  495   1HG   ARG  68           HG2      ARG  68   1.914  12.572  -6.132
  496   2HG   ARG  68           HG3      ARG  68   1.911  11.756  -7.698
  497   1HD   ARG  68           HD2      ARG  68  -0.440  13.258  -6.508
  498   2HD   ARG  68           HD3      ARG  68   0.730  14.018  -7.577
  499    HE   ARG  68           HE       ARG  68  -1.466  12.344  -8.348
  500   1HH1  ARG  68          HH11      ARG  68  -0.497  12.152 -11.731
  501   2HH1  ARG  68          HH12      ARG  68  -1.807  11.972 -10.606
  502   1HH2  ARG  68          HH21      ARG  68   1.653  12.788 -10.959
  503   2HH2  ARG  68          HH22      ARG  68   1.860  13.120  -9.276
  504    H    GLU  69           H        GLU  69   4.070  10.672  -6.692
  505    HA   GLU  69           HA       GLU  69   3.926   9.143  -9.204
  506   1HB   GLU  69           HB2      GLU  69   5.740  11.169  -7.989
  507   2HB   GLU  69           HB3      GLU  69   6.269  10.261  -9.411
  508   1HG   GLU  69           HG2      GLU  69   3.536  11.546  -9.462
  509   2HG   GLU  69           HG3      GLU  69   4.964  12.574  -9.670
  510    H    LEU  70           H        LEU  70   5.815   9.128  -6.162
  511    HA   LEU  70           HA       LEU  70   7.526   7.033  -6.836
  512   1HB   LEU  70           HB2      LEU  70   7.763   8.528  -4.899
  513   2HB   LEU  70           HB3      LEU  70   6.347   7.780  -4.169
  514    HG   LEU  70           HG       LEU  70   7.517   6.188  -3.194
  515   1HD1  LEU  70          HD11      LEU  70   9.325   4.849  -4.348
  516   2HD1  LEU  70          HD12      LEU  70   7.667   4.790  -4.954
  517   3HD1  LEU  70          HD13      LEU  70   8.909   5.739  -5.823
  518   1HD2  LEU  70          HD21      LEU  70   9.894   6.547  -2.826
  519   2HD2  LEU  70          HD22      LEU  70   9.952   7.698  -4.176
  520   3HD2  LEU  70          HD23      LEU  70   8.994   8.071  -2.719
  521    H    SER  71           H        SER  71   4.397   6.939  -5.110
  522    HA   SER  71           HA       SER  71   3.962   4.229  -4.843
  523   1HB   SER  71           HB2      SER  71   1.633   4.627  -4.898
  524   2HB   SER  71           HB3      SER  71   2.421   6.045  -4.154
  525    HG   SER  71           HG       SER  71   0.856   6.693  -5.640
  526    H    LYS  72           H        LYS  72   3.296   6.053  -7.896
  527    HA   LYS  72           HA       LYS  72   2.475   3.899  -9.480
  528   1HB   LYS  72           HB2      LYS  72   4.089   6.332 -10.260
  529   2HB   LYS  72           HB3      LYS  72   3.468   5.171 -11.402
  530   1HG   LYS  72           HG2      LYS  72   1.391   6.123  -9.486
  531   2HG   LYS  72           HG3      LYS  72   2.149   7.423 -10.415
  532   1HD   LYS  72           HD2      LYS  72   1.803   6.172 -12.515
  533   2HD   LYS  72           HD3      LYS  72   0.954   4.888 -11.656
  534   1HE   LYS  72           HE2      LYS  72   0.053   7.830 -11.655
  535   2HE   LYS  72           HE3      LYS  72  -0.382   6.699 -12.940
  536   1HZ   LYS  72           HZ1      LYS  72  -2.132   6.571 -11.535
  537   2HZ   LYS  72           HZ2      LYS  72  -1.249   5.271 -11.049
  538   3HZ   LYS  72           HZ3      LYS  72  -1.244   6.652 -10.153
  539    H    THR  73           H        THR  73   5.828   4.781  -8.631
  540    HA   THR  73           HA       THR  73   7.093   2.811 -10.341
  541    HB   THR  73           HB       THR  73   8.006   4.683  -8.150
  542    HG1  THR  73           HG1      THR  73   9.162   5.482  -9.893
  543   1HG2  THR  73          HG21      THR  73  10.320   3.987  -8.492
  544   2HG2  THR  73          HG22      THR  73   9.367   2.743  -7.684
  545   3HG2  THR  73          HG23      THR  73   9.767   2.570  -9.412
  546    H    PHE  74           H        PHE  74   5.290   2.475  -7.459
  547    HA   PHE  74           HA       PHE  74   6.523  -0.180  -6.851
  548   1HB   PHE  74           HB2      PHE  74   4.986   1.795  -5.113
  549   2HB   PHE  74           HB3      PHE  74   5.188   0.108  -4.676
  550    HD1  PHE  74           HD1      PHE  74   6.424   3.137  -3.787
  551    HD2  PHE  74           HD2      PHE  74   7.726  -0.799  -4.962
  552    HE1  PHE  74           HE1      PHE  74   8.547   3.450  -2.538
  553    HE2  PHE  74           HE2      PHE  74   9.883  -0.434  -3.808
  554    HZ   PHE  74           HZ       PHE  74  10.290   1.688  -2.595
  555    H    ILE  75           H        ILE  75   4.162   1.182  -8.709
  556    HA   ILE  75           HA       ILE  75   1.902  -0.307  -7.772
  557    HB   ILE  75           HB       ILE  75   2.198   1.735  -9.458
  558   1HG1  ILE  75          HG12      ILE  75   0.159   0.997  -8.333
  559   2HG1  ILE  75          HG13      ILE  75  -0.072   1.668  -9.946
  560   1HG2  ILE  75          HG21      ILE  75   1.633   1.146 -11.766
  561   2HG2  ILE  75          HG22      ILE  75   3.199   0.452 -11.316
  562   3HG2  ILE  75          HG23      ILE  75   1.762  -0.582 -11.388
  563   1HD1  ILE  75          HD11      ILE  75  -1.434  -0.327  -9.387
  564   2HD1  ILE  75          HD12      ILE  75  -0.466  -0.514 -10.869
  565   3HD1  ILE  75          HD13      ILE  75   0.072  -1.265  -9.347
  566    H    ILE  76           H        ILE  76   1.422  -2.425  -8.036
  567    HA   ILE  76           HA       ILE  76   3.248  -4.074  -9.782
  568    HB   ILE  76           HB       ILE  76   2.496  -5.948  -8.314
  569   1HG1  ILE  76          HG12      ILE  76   1.699  -3.757  -6.339
  570   2HG1  ILE  76          HG13      ILE  76   0.515  -4.574  -7.356
  571   1HG2  ILE  76          HG21      ILE  76   4.184  -5.458  -6.628
  572   2HG2  ILE  76          HG22      ILE  76   4.716  -4.760  -8.156
  573   3HG2  ILE  76          HG23      ILE  76   4.026  -3.713  -6.903
  574   1HD1  ILE  76          HD11      ILE  76   0.510  -6.400  -6.120
  575   2HD1  ILE  76          HD12      ILE  76   2.280  -6.475  -5.993
  576   3HD1  ILE  76          HD13      ILE  76   1.365  -5.430  -4.893
  577    H    GLY  77           H        GLY  77  -0.175  -3.282  -9.122
  578   1HA   GLY  77           HA1      GLY  77  -1.017  -4.060 -11.680
  579   2HA   GLY  77           HA2      GLY  77  -1.385  -5.391 -10.546
  580    H    GLU  78           H        GLU  78  -3.593  -4.642 -11.204
  581    HA   GLU  78           HA       GLU  78  -4.580  -2.404  -9.534
  582   1HB   GLU  78           HB2      GLU  78  -4.798  -2.812 -12.429
  583   2HB   GLU  78           HB3      GLU  78  -6.384  -2.748 -11.690
  584   1HG   GLU  78           HG2      GLU  78  -6.254  -0.552 -11.188
  585   2HG   GLU  78           HG3      GLU  78  -4.545  -0.632 -10.747
  586    H    LEU  79           H        LEU  79  -6.894  -2.570  -9.203
  587    HA   LEU  79           HA       LEU  79  -7.301  -4.962  -7.616
  588   1HB   LEU  79           HB2      LEU  79  -8.006  -2.783  -6.800
  589   2HB   LEU  79           HB3      LEU  79  -8.970  -2.539  -8.267
  590    HG   LEU  79           HG       LEU  79 -10.273  -4.694  -7.457
  591   1HD1  LEU  79          HD11      LEU  79  -9.291  -3.715  -4.768
  592   2HD1  LEU  79          HD12      LEU  79 -10.243  -5.157  -5.122
  593   3HD1  LEU  79          HD13      LEU  79  -8.549  -5.098  -5.602
  594   1HD2  LEU  79          HD21      LEU  79 -11.933  -3.375  -6.764
  595   2HD2  LEU  79          HD22      LEU  79 -10.905  -2.357  -5.739
  596   3HD2  LEU  79          HD23      LEU  79 -10.945  -2.138  -7.507
  597    H    HIS  80           H        HIS  80  -8.469  -6.730  -8.129
  598    HA   HIS  80           HA       HIS  80  -9.220  -7.384 -10.735
  599   1HB   HIS  80           HB2      HIS  80  -8.884  -8.810  -8.594
  600   2HB   HIS  80           HB3      HIS  80 -10.611  -8.589  -8.330
  601    HD1  HIS  80           HD1      HIS  80 -12.101 -10.183  -9.906
  602    HD2  HIS  80           HD2      HIS  80  -7.980 -10.164 -10.710
  603    HE1  HIS  80           HE1      HIS  80 -11.714 -11.989 -11.611
  604    HA   PRO  81           HA       PRO  81 -13.056  -5.178 -11.221
  605   1HB   PRO  81           HB2      PRO  81 -14.098  -6.461 -13.414
  606   2HB   PRO  81           HB3      PRO  81 -12.742  -5.301 -13.476
  607   1HG   PRO  81           HG2      PRO  81 -12.600  -8.325 -13.442
  608   2HG   PRO  81           HG3      PRO  81 -11.681  -7.191 -14.479
  609   1HD   PRO  81           HD2      PRO  81 -10.668  -8.330 -12.237
  610   2HD   PRO  81           HD3      PRO  81 -10.193  -6.685 -12.749
  611    H    ASP  82           H        ASP  82 -12.815  -8.411 -10.165
  612    HA   ASP  82           HA       ASP  82 -15.682  -8.936  -9.923
  613   1HB   ASP  82           HB2      ASP  82 -13.938 -10.729 -10.122
  614   2HB   ASP  82           HB3      ASP  82 -13.329 -10.240  -8.495
  615    H    ASP  83           H        ASP  83 -13.168  -7.289  -8.101
  616    HA   ASP  83           HA       ASP  83 -14.514  -7.323  -5.521
  617   1HB   ASP  83           HB2      ASP  83 -12.115  -7.075  -5.627
  618   2HB   ASP  83           HB3      ASP  83 -12.272  -5.642  -6.659
  619    H    ARG  84           H        ARG  84 -14.076  -4.937  -8.087
  620    HA   ARG  84           HA       ARG  84 -15.516  -2.773  -6.976
  621   1HB   ARG  84           HB2      ARG  84 -14.557  -3.596  -9.689
  622   2HB   ARG  84           HB3      ARG  84 -15.848  -2.400  -9.665
  623   1HG   ARG  84           HG2      ARG  84 -14.615  -0.842  -8.393
  624   2HG   ARG  84           HG3      ARG  84 -13.340  -2.002  -8.000
  625   1HD   ARG  84           HD2      ARG  84 -14.067  -1.110 -10.810
  626   2HD   ARG  84           HD3      ARG  84 -12.768  -0.357  -9.860
  627    HE   ARG  84           HE       ARG  84 -12.048  -2.971  -9.735
  628   1HH1  ARG  84          HH11      ARG  84 -10.549  -3.576 -12.863
  629   2HH1  ARG  84          HH12      ARG  84 -10.415  -3.873 -11.166
  630   1HH2  ARG  84          HH21      ARG  84 -11.966  -1.859 -13.652
  631   2HH2  ARG  84          HH22      ARG  84 -13.013  -1.049 -12.529
  632    HHA  HEM 201           HGM      HEM 201   4.730  11.007   4.992
  633    HHB  HEM 201           HDM      HEM 201   5.777   7.923  -0.589
  634    HHC  HEM 201           HAM      HEM 201   1.056   3.793   0.847
  635    HHD  HEM 201           HBM      HEM 201   0.330   6.620   6.619
  636   1HMA  HEM 201          HM81      HEM 201   6.667  10.009  -0.706
  637   2HMA  HEM 201          HM82      HEM 201   7.212  11.342   0.293
  638   3HMA  HEM 201          HM83      HEM 201   7.977   9.749   0.459
  639   1HAA  HEM 201          HAA1      HEM 201   6.720  11.883   3.832
  640   2HAA  HEM 201          HAA2      HEM 201   6.852  12.382   2.158
  641   1HBA  HEM 201          HBA1      HEM 201   5.184  13.555   3.958
  642   2HBA  HEM 201          HBA2      HEM 201   4.051  12.414   3.226
  643   1HMB  HEM 201          HM11      HEM 201   4.832   6.687  -2.696
  644   2HMB  HEM 201          HM12      HEM 201   5.953   5.607  -1.820
  645   3HMB  HEM 201          HM13      HEM 201   4.626   4.924  -2.761
  646    HAB  HEM 201          HT2A      HEM 201   2.488   2.941  -1.315
  647   1HBB  HEM 201          HV2C      HEM 201   1.084   5.352  -2.467
  648   2HBB  HEM 201          HV2T      HEM 201   0.843   3.541  -2.858
  649   1HMC  HEM 201          HM31      HEM 201  -1.233   2.528   3.622
  650   2HMC  HEM 201          HM32      HEM 201  -1.727   3.548   2.259
  651   3HMC  HEM 201          HM33      HEM 201  -0.290   2.511   2.127
  652    HAC  HEM 201          HT4A      HEM 201  -1.440   3.604   5.858
  653   1HBC  HEM 201          HV4C      HEM 201  -2.082   6.577   5.429
  654   2HBC  HEM 201          HV4T      HEM 201  -2.961   5.368   6.541
  655   1HMD  HEM 201          HM51      HEM 201   1.912   7.776   8.829
  656   2HMD  HEM 201          HM52      HEM 201   1.413   9.474   8.861
  657   3HMD  HEM 201          HM53      HEM 201   0.321   8.261   8.206
  658   1HAD  HEM 201          HAD1      HEM 201   3.721  10.162   8.474
  659   2HAD  HEM 201          HAD2      HEM 201   4.437  11.114   7.197
  660   1HBD  HEM 201          HBD1      HEM 201   2.963  12.792   7.501
  661   2HBD  HEM 201          HBD2      HEM 201   1.584  11.695   7.527
  Start of MODEL   21
    1   1H    ALA   3           H1       ALA   3   3.679  -4.209 -18.452
    2   2H    ALA   3           H2       ALA   3   4.719  -5.344 -19.106
    3   3H    ALA   3           H3       ALA   3   3.424  -4.759 -19.973
    4    HA   ALA   3           HA       ALA   3   3.418  -6.518 -17.648
    5   1HB   ALA   3           HB1      ALA   3   2.154  -6.642 -20.410
    6   2HB   ALA   3           HB2      ALA   3   3.257  -7.784 -19.616
    7   3HB   ALA   3           HB3      ALA   3   1.585  -7.672 -19.081
    8    H    VAL   4           H        VAL   4   0.446  -6.816 -17.719
    9    HA   VAL   4           HA       VAL   4   0.555  -5.205 -15.453
   10    HB   VAL   4           HB       VAL   4  -0.537  -3.536 -17.027
   11   1HG1  VAL   4          HG11      VAL   4  -2.981  -5.348 -16.820
   12   2HG1  VAL   4          HG12      VAL   4  -2.863  -3.774 -17.620
   13   3HG1  VAL   4          HG13      VAL   4  -1.990  -5.166 -18.287
   14   1HG2  VAL   4          HG21      VAL   4  -2.191  -4.402 -14.626
   15   2HG2  VAL   4          HG22      VAL   4  -0.724  -3.401 -14.578
   16   3HG2  VAL   4          HG23      VAL   4  -2.178  -2.806 -15.391
   17    H    LYS   5           H        LYS   5  -0.861  -6.154 -13.865
   18    HA   LYS   5           HA       LYS   5  -2.538  -8.390 -14.694
   19   1HB   LYS   5           HB2      LYS   5   0.036  -9.030 -13.783
   20   2HB   LYS   5           HB3      LYS   5  -0.903  -9.016 -12.293
   21   1HG   LYS   5           HG2      LYS   5  -1.037 -11.238 -13.080
   22   2HG   LYS   5           HG3      LYS   5  -2.591 -10.550 -13.515
   23   1HD   LYS   5           HD2      LYS   5  -0.995  -9.980 -15.776
   24   2HD   LYS   5           HD3      LYS   5  -0.303 -11.479 -15.189
   25   1HE   LYS   5           HE2      LYS   5  -1.916 -12.135 -16.775
   26   2HE   LYS   5           HE3      LYS   5  -2.674 -12.477 -15.215
   27   1HZ   LYS   5           HZ1      LYS   5  -4.125 -11.363 -16.824
   28   2HZ   LYS   5           HZ2      LYS   5  -3.942 -10.457 -15.467
   29   3HZ   LYS   5           HZ3      LYS   5  -3.135 -10.048 -16.842
   30    H    TYR   6           H        TYR   6  -3.773  -9.116 -12.621
   31    HA   TYR   6           HA       TYR   6  -4.377  -6.749 -11.014
   32   1HB   TYR   6           HB2      TYR   6  -6.323  -8.699 -12.287
   33   2HB   TYR   6           HB3      TYR   6  -6.687  -7.351 -11.221
   34    HD1  TYR   6           HD1      TYR   6  -5.722  -8.324 -14.653
   35    HD2  TYR   6           HD2      TYR   6  -6.707  -5.050 -12.046
   36    HE1  TYR   6           HE1      TYR   6  -5.833  -6.807 -16.610
   37    HE2  TYR   6           HE2      TYR   6  -6.851  -3.527 -14.014
   38    HH   TYR   6           HH       TYR   6  -6.146  -4.635 -17.336
   39    H    TYR   7           H        TYR   7  -5.340  -7.353  -8.956
   40    HA   TYR   7           HA       TYR   7  -4.964 -10.205  -8.152
   41   1HB   TYR   7           HB2      TYR   7  -4.109  -7.789  -6.539
   42   2HB   TYR   7           HB3      TYR   7  -3.896  -9.485  -6.122
   43    HD1  TYR   7           HD1      TYR   7  -2.246 -10.885  -7.431
   44    HD2  TYR   7           HD2      TYR   7  -2.580  -6.625  -7.984
   45    HE1  TYR   7           HE1      TYR   7  -0.055 -10.863  -8.583
   46    HE2  TYR   7           HE2      TYR   7  -0.399  -6.612  -9.170
   47    HH   TYR   7           HH       TYR   7   1.579  -9.555  -9.563
   48    H    THR   8           H        THR   8  -6.490 -10.949  -6.674
   49    HA   THR   8           HA       THR   8  -9.017  -9.510  -6.556
   50    HB   THR   8           HB       THR   8  -9.746 -11.560  -5.378
   51    HG1  THR   8           HG1      THR   8  -7.767 -13.210  -5.288
   52   1HG2  THR   8          HG21      THR   8  -9.610 -11.545  -7.862
   53   2HG2  THR   8          HG22      THR   8  -7.995 -12.280  -7.779
   54   3HG2  THR   8          HG23      THR   8  -9.410 -13.163  -7.169
   55    H    LEU   9           H        LEU   9 -10.082  -8.971  -4.473
   56    HA   LEU   9           HA       LEU   9  -8.445  -7.680  -2.626
   57   1HB   LEU   9           HB2      LEU   9 -11.193  -8.077  -2.995
   58   2HB   LEU   9           HB3      LEU   9 -10.920  -8.786  -1.447
   59    HG   LEU   9           HG       LEU   9 -10.199  -5.958  -2.323
   60   1HD1  LEU   9          HD11      LEU   9 -12.676  -6.696  -1.642
   61   2HD1  LEU   9          HD12      LEU   9 -12.048  -6.570  -0.003
   62   3HD1  LEU   9          HD13      LEU   9 -11.990  -5.161  -1.082
   63   1HD2  LEU   9          HD21      LEU   9  -9.871  -7.089   0.482
   64   2HD2  LEU   9          HD22      LEU   9  -8.513  -6.760  -0.616
   65   3HD2  LEU   9          HD23      LEU   9  -9.529  -5.435  -0.043
   66    H    GLU  10           H        GLU  10  -9.686 -11.023  -2.675
   67    HA   GLU  10           HA       GLU  10  -8.769 -11.933  -0.200
   68   1HB   GLU  10           HB2      GLU  10 -10.209 -13.153  -1.919
   69   2HB   GLU  10           HB3      GLU  10  -8.717 -13.591  -2.739
   70   1HG   GLU  10           HG2      GLU  10  -9.311 -15.423  -1.311
   71   2HG   GLU  10           HG3      GLU  10  -7.910 -14.643  -0.572
   72    H    GLU  11           H        GLU  11  -7.033 -12.359  -3.350
   73    HA   GLU  11           HA       GLU  11  -4.643 -13.322  -2.249
   74   1HB   GLU  11           HB2      GLU  11  -5.453 -12.044  -4.832
   75   2HB   GLU  11           HB3      GLU  11  -3.758 -11.922  -4.429
   76   1HG   GLU  11           HG2      GLU  11  -4.275 -13.975  -5.754
   77   2HG   GLU  11           HG3      GLU  11  -3.525 -14.315  -4.190
   78    H    ILE  12           H        ILE  12  -5.559  -9.888  -2.856
   79    HA   ILE  12           HA       ILE  12  -3.049  -8.895  -1.899
   80    HB   ILE  12           HB       ILE  12  -5.777  -7.559  -1.899
   81   1HG1  ILE  12          HG12      ILE  12  -3.616  -7.201  -4.029
   82   2HG1  ILE  12          HG13      ILE  12  -4.802  -8.472  -4.187
   83   1HG2  ILE  12          HG21      ILE  12  -4.657  -5.461  -1.767
   84   2HG2  ILE  12          HG22      ILE  12  -3.855  -6.438  -0.546
   85   3HG2  ILE  12          HG23      ILE  12  -3.073  -6.175  -2.109
   86   1HD1  ILE  12          HD11      ILE  12  -5.443  -5.529  -3.958
   87   2HD1  ILE  12          HD12      ILE  12  -5.581  -6.527  -5.405
   88   3HD1  ILE  12          HD13      ILE  12  -6.647  -6.838  -4.040
   89    H    GLN  13           H        GLN  13  -6.129  -9.645  -0.170
   90    HA   GLN  13           HA       GLN  13  -5.293  -8.779   2.413
   91   1HB   GLN  13           HB2      GLN  13  -7.484 -10.613   1.353
   92   2HB   GLN  13           HB3      GLN  13  -7.105 -10.528   3.047
   93   1HG   GLN  13           HG2      GLN  13  -7.335  -7.864   2.591
   94   2HG   GLN  13           HG3      GLN  13  -8.366  -8.467   1.308
   95   1HE2  GLN  13          HE21      GLN  13  -7.698  -9.038   4.815
   96   2HE2  GLN  13          HE22      GLN  13  -9.387  -9.241   5.257
   97    H    LYS  14           H        LYS  14  -4.452 -11.663   0.564
   98    HA   LYS  14           HA       LYS  14  -3.589 -13.105   2.954
   99   1HB   LYS  14           HB2      LYS  14  -2.955 -13.499   0.010
  100   2HB   LYS  14           HB3      LYS  14  -2.390 -14.531   1.310
  101   1HG   LYS  14           HG2      LYS  14  -5.234 -14.136   1.682
  102   2HG   LYS  14           HG3      LYS  14  -5.002 -14.461  -0.020
  103   1HD   LYS  14           HD2      LYS  14  -3.583 -16.252   1.965
  104   2HD   LYS  14           HD3      LYS  14  -5.339 -16.381   1.836
  105   1HE   LYS  14           HE2      LYS  14  -5.278 -16.882  -0.513
  106   2HE   LYS  14           HE3      LYS  14  -3.556 -16.500  -0.638
  107   1HZ   LYS  14           HZ1      LYS  14  -3.071 -18.396   0.712
  108   2HZ   LYS  14           HZ2      LYS  14  -4.671 -18.731   0.935
  109   3HZ   LYS  14           HZ3      LYS  14  -4.003 -18.859  -0.563
  110    H    HIS  15           H        HIS  15  -2.320 -10.355   1.253
  111    HA   HIS  15           HA       HIS  15   0.450 -10.838   2.267
  112   1HB   HIS  15           HB2      HIS  15  -0.625  -8.961   0.138
  113   2HB   HIS  15           HB3      HIS  15   1.035  -9.040   0.691
  114    HD1  HIS  15           HD1      HIS  15   2.178  -9.851  -1.448
  115    HD2  HIS  15           HD2      HIS  15  -1.174 -12.126  -0.373
  116    HE1  HIS  15           HE1      HIS  15   2.077 -11.827  -3.065
  117    H    ASN  16           H        ASN  16  -0.512 -10.382   4.455
  118    HA   ASN  16           HA       ASN  16   0.024  -7.625   5.251
  119   1HB   ASN  16           HB2      ASN  16  -2.226  -7.251   6.261
  120   2HB   ASN  16           HB3      ASN  16  -2.219  -7.318   4.502
  121   1HD2  ASN  16          HD21      ASN  16  -4.717  -7.718   4.995
  122   2HD2  ASN  16          HD22      ASN  16  -5.010  -9.465   4.971
  123    H    ASN  17           H        ASN  17   1.569  -9.486   6.187
  124    HA   ASN  17           HA       ASN  17   0.846  -9.580   9.024
  125   1HB   ASN  17           HB2      ASN  17   0.426 -11.973   7.359
  126   2HB   ASN  17           HB3      ASN  17   1.640 -12.280   8.595
  127   1HD2  ASN  17          HD21      ASN  17  -1.780 -11.554   8.092
  128   2HD2  ASN  17          HD22      ASN  17  -2.224 -11.977   9.735
  129    H    SER  18           H        SER  18   3.067 -11.583   7.125
  130    HA   SER  18           HA       SER  18   5.387  -9.918   7.518
  131   1HB   SER  18           HB2      SER  18   4.964 -12.301   9.358
  132   2HB   SER  18           HB3      SER  18   6.584 -11.752   8.909
  133    HG   SER  18           HG       SER  18   4.626 -10.007   9.988
  134    H    LYS  19           H        LYS  19   4.373 -10.577   5.255
  135    HA   LYS  19           HA       LYS  19   6.544 -12.187   4.141
  136   1HB   LYS  19           HB2      LYS  19   3.573 -12.680   3.579
  137   2HB   LYS  19           HB3      LYS  19   4.842 -12.976   2.388
  138   1HG   LYS  19           HG2      LYS  19   5.996 -14.297   4.399
  139   2HG   LYS  19           HG3      LYS  19   4.366 -14.338   5.045
  140   1HD   LYS  19           HD2      LYS  19   3.995 -16.161   3.793
  141   2HD   LYS  19           HD3      LYS  19   4.043 -15.147   2.345
  142   1HE   LYS  19           HE2      LYS  19   6.409 -15.576   2.007
  143   2HE   LYS  19           HE3      LYS  19   6.585 -16.291   3.618
  144   1HZ   LYS  19           HZ1      LYS  19   5.211 -18.107   2.942
  145   2HZ   LYS  19           HZ2      LYS  19   5.065 -17.497   1.417
  146   3HZ   LYS  19           HZ3      LYS  19   6.534 -17.972   1.983
  147    H    SER  20           H        SER  20   3.589 -10.339   3.164
  148    HA   SER  20           HA       SER  20   5.361  -8.379   1.872
  149   1HB   SER  20           HB2      SER  20   3.469  -8.621  -0.010
  150   2HB   SER  20           HB3      SER  20   5.057  -9.392  -0.039
  151    HG   SER  20           HG       SER  20   3.883 -11.145  -0.212
  152    H    THR  21           H        THR  21   4.732  -6.369   2.517
  153    HA   THR  21           HA       THR  21   1.991  -5.845   3.499
  154    HB   THR  21           HB       THR  21   4.313  -3.966   2.997
  155    HG1  THR  21           HG1      THR  21   4.727  -4.247   5.168
  156   1HG2  THR  21          HG21      THR  21   1.986  -2.919   3.296
  157   2HG2  THR  21          HG22      THR  21   2.090  -3.567   4.949
  158   3HG2  THR  21          HG23      THR  21   3.262  -2.386   4.394
  159    H    TRP  22           H        TRP  22   0.712  -6.307   1.615
  160    HA   TRP  22           HA       TRP  22   1.011  -4.372  -0.655
  161   1HB   TRP  22           HB2      TRP  22  -0.658  -6.879  -0.300
  162   2HB   TRP  22           HB3      TRP  22  -0.814  -5.767  -1.642
  163    HD1  TRP  22           HD1      TRP  22   2.763  -6.231  -0.829
  164    HE1  TRP  22           HE1      TRP  22   3.916  -7.491  -2.642
  165    HE3  TRP  22           HE3      TRP  22  -1.390  -7.991  -3.226
  166    HZ2  TRP  22           HZ2      TRP  22   3.137  -9.180  -4.918
  167    HZ3  TRP  22           HZ3      TRP  22  -1.159  -9.498  -5.159
  168    HH2  TRP  22           HH2      TRP  22   1.099 -10.059  -6.062
  169    H    LEU  23           H        LEU  23  -1.392  -3.660  -1.347
  170    HA   LEU  23           HA       LEU  23  -3.467  -3.507   0.507
  171   1HB   LEU  23           HB2      LEU  23  -3.256  -1.004   1.051
  172   2HB   LEU  23           HB3      LEU  23  -2.357  -2.149   1.988
  173    HG   LEU  23           HG       LEU  23  -0.321  -1.644   0.426
  174   1HD1  LEU  23          HD11      LEU  23  -2.187   0.647  -0.192
  175   2HD1  LEU  23          HD12      LEU  23  -0.450   0.736  -0.466
  176   3HD1  LEU  23          HD13      LEU  23  -1.423  -0.436  -1.372
  177   1HD2  LEU  23          HD21      LEU  23   0.225   0.344   1.749
  178   2HD2  LEU  23          HD22      LEU  23  -1.477   0.407   2.312
  179   3HD2  LEU  23          HD23      LEU  23  -0.435  -0.968   2.745
  180    H    ILE  24           H        ILE  24  -5.057  -1.723  -0.215
  181    HA   ILE  24           HA       ILE  24  -4.800  -1.291  -3.170
  182    HB   ILE  24           HB       ILE  24  -7.249  -1.843  -1.485
  183   1HG1  ILE  24          HG12      ILE  24  -6.526  -3.284  -4.045
  184   2HG1  ILE  24          HG13      ILE  24  -5.545  -3.636  -2.638
  185   1HG2  ILE  24          HG21      ILE  24  -7.897  -0.116  -3.085
  186   2HG2  ILE  24          HG22      ILE  24  -6.990  -0.916  -4.390
  187   3HG2  ILE  24          HG23      ILE  24  -8.457  -1.661  -3.732
  188   1HD1  ILE  24          HD11      ILE  24  -7.529  -5.173  -2.774
  189   2HD1  ILE  24          HD12      ILE  24  -7.466  -4.234  -1.276
  190   3HD1  ILE  24          HD13      ILE  24  -8.591  -3.771  -2.566
  191    H    LEU  25           H        LEU  25  -4.558   0.714  -3.710
  192    HA   LEU  25           HA       LEU  25  -5.710   2.990  -2.130
  193   1HB   LEU  25           HB2      LEU  25  -2.979   2.378  -3.125
  194   2HB   LEU  25           HB3      LEU  25  -3.557   3.999  -3.492
  195    HG   LEU  25           HG       LEU  25  -3.585   4.701  -1.363
  196   1HD1  LEU  25          HD11      LEU  25  -3.082   2.971   0.521
  197   2HD1  LEU  25          HD12      LEU  25  -4.705   3.200  -0.162
  198   3HD1  LEU  25          HD13      LEU  25  -3.730   1.853  -0.719
  199   1HD2  LEU  25          HD21      LEU  25  -1.293   4.307  -0.596
  200   2HD2  LEU  25          HD22      LEU  25  -1.174   2.832  -1.566
  201   3HD2  LEU  25          HD23      LEU  25  -1.348   4.414  -2.358
  202    H    HIS  26           H        HIS  26  -7.541   3.161  -3.396
  203    HA   HIS  26           HA       HIS  26  -8.812   3.810  -5.171
  204   1HB   HIS  26           HB2      HIS  26  -6.299   4.859  -6.519
  205   2HB   HIS  26           HB3      HIS  26  -7.970   5.339  -6.799
  206    HD1  HIS  26           HD1      HIS  26  -9.017   7.066  -4.996
  207    HD2  HIS  26           HD2      HIS  26  -5.054   5.805  -4.361
  208    HE1  HIS  26           HE1      HIS  26  -8.044   8.615  -3.243
  209    H    TYR  27           H        TYR  27  -8.467   1.231  -5.238
  210    HA   TYR  27           HA       TYR  27  -8.569  -0.629  -6.525
  211   1HB   TYR  27           HB2      TYR  27  -8.877   1.252  -8.890
  212   2HB   TYR  27           HB3      TYR  27  -9.443  -0.399  -8.772
  213    HD1  TYR  27           HD1      TYR  27 -10.614   0.013  -5.804
  214    HD2  TYR  27           HD2      TYR  27 -11.075   1.997  -9.613
  215    HE1  TYR  27           HE1      TYR  27 -12.903   0.639  -5.198
  216    HE2  TYR  27           HE2      TYR  27 -13.435   2.509  -9.027
  217    HH   TYR  27           HH       TYR  27 -14.794   1.815  -5.802
  218    H    LYS  28           H        LYS  28  -5.880   0.744  -6.165
  219    HA   LYS  28           HA       LYS  28  -4.437  -0.726  -8.312
  220   1HB   LYS  28           HB2      LYS  28  -3.948   2.059  -7.231
  221   2HB   LYS  28           HB3      LYS  28  -2.697   1.103  -8.049
  222   1HG   LYS  28           HG2      LYS  28  -4.059   0.880 -10.011
  223   2HG   LYS  28           HG3      LYS  28  -5.443   1.697  -9.254
  224   1HD   LYS  28           HD2      LYS  28  -4.327   3.791  -9.188
  225   2HD   LYS  28           HD3      LYS  28  -2.747   3.060  -9.551
  226   1HE   LYS  28           HE2      LYS  28  -3.657   2.277 -11.781
  227   2HE   LYS  28           HE3      LYS  28  -5.178   3.114 -11.427
  228   1HZ   LYS  28           HZ1      LYS  28  -3.942   5.164 -11.363
  229   2HZ   LYS  28           HZ2      LYS  28  -2.528   4.355 -11.658
  230   3HZ   LYS  28           HZ3      LYS  28  -3.717   4.389 -12.806
  231    H    VAL  29           H        VAL  29  -2.930  -2.092  -7.634
  232    HA   VAL  29           HA       VAL  29  -2.549  -2.338  -4.735
  233    HB   VAL  29           HB       VAL  29  -1.659  -4.277  -6.882
  234   1HG1  VAL  29          HG11      VAL  29  -0.769  -4.524  -4.510
  235   2HG1  VAL  29          HG12      VAL  29  -2.439  -4.649  -3.946
  236   3HG1  VAL  29          HG13      VAL  29  -1.774  -5.886  -5.034
  237   1HG2  VAL  29          HG21      VAL  29  -3.771  -5.487  -6.375
  238   2HG2  VAL  29          HG22      VAL  29  -4.345  -4.063  -5.476
  239   3HG2  VAL  29          HG23      VAL  29  -4.039  -3.967  -7.223
  240    H    TYR  30           H        TYR  30  -0.665  -2.020  -3.742
  241    HA   TYR  30           HA       TYR  30   1.794  -1.305  -5.295
  242   1HB   TYR  30           HB2      TYR  30   0.612   0.000  -2.811
  243   2HB   TYR  30           HB3      TYR  30   2.159   0.412  -3.518
  244    HD1  TYR  30           HD1      TYR  30  -1.498   0.667  -3.805
  245    HD2  TYR  30           HD2      TYR  30   2.197   1.496  -5.822
  246    HE1  TYR  30           HE1      TYR  30  -2.672   2.240  -5.310
  247    HE2  TYR  30           HE2      TYR  30   0.991   3.084  -7.343
  248    HH   TYR  30           HH       TYR  30  -2.438   3.901  -6.834
  249    H    ASP  31           H        ASP  31   3.413  -2.684  -4.703
  250    HA   ASP  31           HA       ASP  31   3.321  -4.040  -2.039
  251   1HB   ASP  31           HB2      ASP  31   4.016  -5.423  -3.978
  252   2HB   ASP  31           HB3      ASP  31   5.362  -4.308  -4.276
  253    H    LEU  32           H        LEU  32   4.206  -2.867  -0.373
  254    HA   LEU  32           HA       LEU  32   6.577  -1.170  -0.962
  255   1HB   LEU  32           HB2      LEU  32   4.637  -0.758   1.275
  256   2HB   LEU  32           HB3      LEU  32   5.875   0.343   0.798
  257    HG   LEU  32           HG       LEU  32   4.151  -0.068  -1.514
  258   1HD1  LEU  32          HD11      LEU  32   2.579   1.183   0.729
  259   2HD1  LEU  32          HD12      LEU  32   2.042   0.552  -0.843
  260   3HD1  LEU  32          HD13      LEU  32   2.500  -0.568   0.442
  261   1HD2  LEU  32          HD21      LEU  32   4.345   2.187  -1.727
  262   2HD2  LEU  32          HD22      LEU  32   4.396   2.484   0.044
  263   3HD2  LEU  32          HD23      LEU  32   5.783   1.813  -0.810
  264    H    THR  33           H        THR  33   6.310  -4.078  -0.285
  265    HA   THR  33           HA       THR  33   6.493  -4.318   2.561
  266    HB   THR  33           HB       THR  33   5.774  -6.087   0.822
  267    HG1  THR  33           HG1      THR  33   7.504  -6.597   3.033
  268   1HG2  THR  33          HG21      THR  33   8.716  -6.887   0.946
  269   2HG2  THR  33          HG22      THR  33   7.376  -7.739   0.164
  270   3HG2  THR  33          HG23      THR  33   7.919  -6.190  -0.479
  271    H    LYS  34           H        LYS  34   8.888  -4.060   0.006
  272    HA   LYS  34           HA       LYS  34  11.118  -4.293   1.935
  273   1HB   LYS  34           HB2      LYS  34  11.023  -5.261  -0.500
  274   2HB   LYS  34           HB3      LYS  34  11.287  -3.582  -0.999
  275   1HG   LYS  34           HG2      LYS  34  13.258  -3.830   0.889
  276   2HG   LYS  34           HG3      LYS  34  13.048  -5.532   0.467
  277   1HD   LYS  34           HD2      LYS  34  13.158  -4.356  -2.045
  278   2HD   LYS  34           HD3      LYS  34  14.122  -3.213  -1.092
  279   1HE   LYS  34           HE2      LYS  34  15.408  -5.334  -0.240
  280   2HE   LYS  34           HE3      LYS  34  14.554  -6.208  -1.526
  281   1HZ   LYS  34           HZ1      LYS  34  16.417  -3.951  -1.853
  282   2HZ   LYS  34           HZ2      LYS  34  16.669  -5.514  -2.299
  283   3HZ   LYS  34           HZ3      LYS  34  15.548  -4.605  -3.090
  284    H    PHE  35           H        PHE  35   8.969  -2.089   2.001
  285    HA   PHE  35           HA       PHE  35  10.832   0.193   1.910
  286   1HB   PHE  35           HB2      PHE  35   8.954  -0.198  -0.014
  287   2HB   PHE  35           HB3      PHE  35   7.974   0.539   1.180
  288    HD1  PHE  35           HD1      PHE  35   7.535   2.796   0.782
  289    HD2  PHE  35           HD2      PHE  35  11.501   1.258  -0.016
  290    HE1  PHE  35           HE1      PHE  35   8.236   5.010  -0.068
  291    HE2  PHE  35           HE2      PHE  35  12.227   3.499  -0.700
  292    HZ   PHE  35           HZ       PHE  35  10.593   5.381  -0.784
  293    H    LEU  36           H        LEU  36   9.363  -1.711   4.011
  294    HA   LEU  36           HA       LEU  36   7.553  -0.007   5.371
  295   1HB   LEU  36           HB2      LEU  36   9.234  -2.362   6.315
  296   2HB   LEU  36           HB3      LEU  36   7.971  -1.637   7.297
  297    HG   LEU  36           HG       LEU  36   7.461  -2.758   4.511
  298   1HD1  LEU  36          HD11      LEU  36   6.854  -4.079   7.186
  299   2HD1  LEU  36          HD12      LEU  36   6.641  -4.757   5.549
  300   3HD1  LEU  36          HD13      LEU  36   8.263  -4.476   6.178
  301   1HD2  LEU  36          HD21      LEU  36   5.143  -2.694   6.227
  302   2HD2  LEU  36          HD22      LEU  36   5.876  -1.102   6.240
  303   3HD2  LEU  36          HD23      LEU  36   5.468  -1.853   4.690
  304    H    GLU  37           H        GLU  37  10.914  -0.827   6.412
  305    HA   GLU  37           HA       GLU  37  11.095   1.343   8.258
  306   1HB   GLU  37           HB2      GLU  37  13.191  -0.359   6.871
  307   2HB   GLU  37           HB3      GLU  37  13.606   0.977   7.946
  308   1HG   GLU  37           HG2      GLU  37  12.129  -0.097   9.723
  309   2HG   GLU  37           HG3      GLU  37  12.082  -1.542   8.697
  310    H    GLU  38           H        GLU  38  11.646   1.168   4.766
  311    HA   GLU  38           HA       GLU  38  13.095   3.629   4.523
  312   1HB   GLU  38           HB2      GLU  38  11.351   2.153   2.561
  313   2HB   GLU  38           HB3      GLU  38  12.459   3.432   2.134
  314   1HG   GLU  38           HG2      GLU  38  13.892   1.351   3.638
  315   2HG   GLU  38           HG3      GLU  38  13.067   0.666   2.232
  316    H    HIS  39           HN       HIS  39   9.604   2.785   4.409
  317    HA   HIS  39           HA       HIS  39   8.672   5.121   3.236
  318   1HB   HIS  39           HB2      HIS  39   7.236   3.256   3.394
  319   2HB   HIS  39           HB3      HIS  39   7.341   3.224   5.155
  320    HD1  HIS  39           HND      HIS  39   5.445   4.361   6.391
  321    HD2  HIS  39           HD       HIS  39   5.850   5.612   2.398
  322    HE1  HIS  39           HE       HIS  39   3.452   5.854   5.896
  323    HA   PRO  40           HA       PRO  40   9.908   7.723   6.663
  324   1HB   PRO  40           HB2      PRO  40   9.352  10.202   5.631
  325   2HB   PRO  40           HB3      PRO  40  10.710   9.178   5.090
  326   1HG   PRO  40           HG2      PRO  40   7.976   9.400   3.819
  327   2HG   PRO  40           HG3      PRO  40   9.562   9.529   3.006
  328   1HD   PRO  40           HD2      PRO  40   8.078   7.260   3.049
  329   2HD   PRO  40           HD3      PRO  40   9.864   7.185   3.168
  330    H    GLY  41           H        GLY  41   6.672   7.132   5.830
  331   1HA   GLY  41           HA1      GLY  41   5.487   8.875   7.897
  332   2HA   GLY  41           HA2      GLY  41   4.689   7.616   6.963
  333    H    GLY  42           H        GLY  42   4.240   5.733   8.027
  334   1HA   GLY  42           HA1      GLY  42   6.018   4.868  10.272
  335   2HA   GLY  42           HA2      GLY  42   4.265   4.903  10.438
  336    H    GLU  43           H        GLU  43   6.678   2.812  10.012
  337    HA   GLU  43           HA       GLU  43   5.792   1.094   7.893
  338   1HB   GLU  43           HB2      GLU  43   7.198  -0.545   8.963
  339   2HB   GLU  43           HB3      GLU  43   8.011   1.018   8.888
  340   1HG   GLU  43           HG2      GLU  43   8.602   0.203  10.970
  341   2HG   GLU  43           HG3      GLU  43   7.300   1.316  11.377
  342    H    ALA  44           H        ALA  44   5.126   1.160  11.420
  343    HA   ALA  44           HA       ALA  44   3.378  -0.877  11.676
  344   1HB   ALA  44           HB1      ALA  44   2.377   0.329  13.571
  345   2HB   ALA  44           HB2      ALA  44   4.135   0.533  13.552
  346   3HB   ALA  44           HB3      ALA  44   3.086   1.857  13.003
  347    H    VAL  45           H        VAL  45   2.362   2.487  10.787
  348    HA   VAL  45           HA       VAL  45  -0.346   1.730  10.341
  349    HB   VAL  45           HB       VAL  45   0.253   4.031  10.743
  350   1HG1  VAL  45          HG11      VAL  45   2.302   4.272   9.526
  351   2HG1  VAL  45          HG12      VAL  45   1.476   4.069   7.955
  352   3HG1  VAL  45          HG13      VAL  45   1.142   5.476   8.983
  353   1HG2  VAL  45          HG21      VAL  45  -1.863   3.796   9.841
  354   2HG2  VAL  45          HG22      VAL  45  -1.134   5.034   8.810
  355   3HG2  VAL  45          HG23      VAL  45  -1.281   3.375   8.217
  356    H    LEU  46           H        LEU  46   2.512   1.849   7.990
  357    HA   LEU  46           HA       LEU  46   1.014   1.060   5.770
  358   1HB   LEU  46           HB2      LEU  46   3.835   1.130   6.545
  359   2HB   LEU  46           HB3      LEU  46   3.485  -0.414   5.784
  360    HG   LEU  46           HG       LEU  46   2.331   0.828   3.945
  361   1HD1  LEU  46          HD11      LEU  46   3.235   3.293   3.745
  362   2HD1  LEU  46          HD12      LEU  46   1.823   2.963   4.764
  363   3HD1  LEU  46          HD13      LEU  46   3.406   3.139   5.515
  364   1HD2  LEU  46          HD21      LEU  46   4.543  -0.079   3.593
  365   2HD2  LEU  46          HD22      LEU  46   4.431   1.491   2.793
  366   3HD2  LEU  46          HD23      LEU  46   5.303   1.347   4.337
  367    H    ARG  47           H        ARG  47   2.272  -0.948   8.431
  368    HA   ARG  47           HA       ARG  47   1.605  -3.435   7.153
  369   1HB   ARG  47           HB2      ARG  47   3.404  -3.051   8.907
  370   2HB   ARG  47           HB3      ARG  47   2.106  -2.915  10.094
  371   1HG   ARG  47           HG2      ARG  47   2.807  -5.175  10.220
  372   2HG   ARG  47           HG3      ARG  47   1.303  -5.230   9.321
  373   1HD   ARG  47           HD2      ARG  47   2.390  -6.414   7.745
  374   2HD   ARG  47           HD3      ARG  47   3.230  -4.921   7.288
  375    HE   ARG  47           HE       ARG  47   4.490  -6.210   9.531
  376   1HH1  ARG  47          HH11      ARG  47   6.923  -7.975   7.754
  377   2HH1  ARG  47          HH12      ARG  47   6.277  -7.603   9.315
  378   1HH2  ARG  47          HH21      ARG  47   5.685  -7.372   5.817
  379   2HH2  ARG  47          HH22      ARG  47   4.378  -6.253   5.957
  380    H    ALA  48           H        ALA  48   0.044  -1.372   9.575
  381    HA   ALA  48           HA       ALA  48  -2.084  -3.104  10.300
  382   1HB   ALA  48           HB1      ALA  48  -1.342  -1.126  11.579
  383   2HB   ALA  48           HB2      ALA  48  -1.908  -0.062  10.278
  384   3HB   ALA  48           HB3      ALA  48  -3.082  -1.029  11.204
  385    H    GLN  49           H        GLN  49  -1.965  -0.384   7.917
  386    HA   GLN  49           HA       GLN  49  -4.600  -0.941   6.871
  387   1HB   GLN  49           HB2      GLN  49  -2.262   0.873   6.278
  388   2HB   GLN  49           HB3      GLN  49  -3.453   0.618   5.027
  389   1HG   GLN  49           HG2      GLN  49  -4.020   2.565   6.242
  390   2HG   GLN  49           HG3      GLN  49  -5.277   1.331   6.434
  391   1HE2  GLN  49          HE21      GLN  49  -3.921   3.806   8.072
  392   2HE2  GLN  49          HE22      GLN  49  -4.076   3.157   9.694
  393    H    ALA  50           H        ALA  50  -1.566  -2.484   6.405
  394    HA   ALA  50           HA       ALA  50  -1.626  -3.083   3.729
  395   1HB   ALA  50           HB1      ALA  50  -0.779  -5.197   5.732
  396   2HB   ALA  50           HB2      ALA  50  -0.057  -4.802   4.154
  397   3HB   ALA  50           HB3      ALA  50   0.118  -3.698   5.523
  398    H    GLY  51           H        GLY  51  -2.392  -4.796   2.479
  399   1HA   GLY  51           HA1      GLY  51  -4.104  -6.070   1.646
  400   2HA   GLY  51           HA2      GLY  51  -3.771  -7.104   3.029
  401    H    GLY  52           H        GLY  52  -5.224  -3.907   2.386
  402   1HA   GLY  52           HA1      GLY  52  -7.915  -4.690   3.075
  403   2HA   GLY  52           HA2      GLY  52  -7.147  -3.607   4.268
  404    H    ASP  53           H        ASP  53  -9.251  -2.499   2.967
  405    HA   ASP  53           HA       ASP  53  -8.476  -0.863   0.706
  406   1HB   ASP  53           HB2      ASP  53 -10.479   0.431   1.436
  407   2HB   ASP  53           HB3      ASP  53 -10.827  -1.278   1.132
  408    H    ALA  54           H        ALA  54  -6.674   0.381   1.024
  409    HA   ALA  54           HA       ALA  54  -6.404   1.827   3.657
  410   1HB   ALA  54           HB1      ALA  54  -4.093   2.121   3.084
  411   2HB   ALA  54           HB2      ALA  54  -4.512   0.377   3.109
  412   3HB   ALA  54           HB3      ALA  54  -4.309   1.212   1.564
  413    H    THR  55           H        THR  55  -7.687   2.228   0.619
  414    HA   THR  55           HA       THR  55  -6.496   4.495  -0.429
  415    HB   THR  55           HB       THR  55  -9.482   3.865  -0.512
  416    HG1  THR  55           HG1      THR  55  -8.790   2.067  -1.372
  417   1HG2  THR  55          HG21      THR  55  -8.800   6.030  -1.551
  418   2HG2  THR  55          HG22      THR  55  -7.507   5.172  -2.419
  419   3HG2  THR  55          HG23      THR  55  -9.214   4.846  -2.812
  420    H    ALA  56           H        ALA  56  -9.294   4.388   1.813
  421    HA   ALA  56           HA       ALA  56  -9.566   7.186   2.155
  422   1HB   ALA  56           HB1      ALA  56 -10.196   4.868   4.050
  423   2HB   ALA  56           HB2      ALA  56 -10.762   6.538   4.258
  424   3HB   ALA  56           HB3      ALA  56 -11.294   5.591   2.855
  425    H    ASN  57           H        ASN  57  -7.652   4.784   4.024
  426    HA   ASN  57           HA       ASN  57  -6.865   6.632   6.042
  427   1HB   ASN  57           HB2      ASN  57  -5.419   4.103   5.192
  428   2HB   ASN  57           HB3      ASN  57  -5.334   4.916   6.769
  429   1HD2  ASN  57          HD21      ASN  57  -6.827   4.268   8.366
  430   2HD2  ASN  57          HD22      ASN  57  -8.193   3.231   8.001
  431    H    PHE  58           H        PHE  58  -5.221   5.474   3.105
  432    HA   PHE  58           HA       PHE  58  -2.809   6.929   3.227
  433   1HB   PHE  58           HB2      PHE  58  -3.232   5.179   1.614
  434   2HB   PHE  58           HB3      PHE  58  -4.586   6.052   0.919
  435    HD1  PHE  58           HD1      PHE  58  -4.243   7.365  -1.031
  436    HD2  PHE  58           HD2      PHE  58  -0.919   6.521   1.572
  437    HE1  PHE  58           HE1      PHE  58  -2.701   8.240  -2.727
  438    HE2  PHE  58           HE2      PHE  58   0.653   7.329  -0.180
  439    HZ   PHE  58           HZ       PHE  58  -0.230   8.169  -2.341
  440    H    GLU  59           H        GLU  59  -5.889   7.838   1.543
  441    HA   GLU  59           HA       GLU  59  -5.044  10.434   0.843
  442   1HB   GLU  59           HB2      GLU  59  -7.788   9.242   1.360
  443   2HB   GLU  59           HB3      GLU  59  -7.560  10.847   0.649
  444   1HG   GLU  59           HG2      GLU  59  -6.299   8.368  -0.599
  445   2HG   GLU  59           HG3      GLU  59  -7.941   8.897  -0.958
  446    H    ALA  60           H        ALA  60  -6.591   9.235   3.823
  447    HA   ALA  60           HA       ALA  60  -7.295  11.601   5.066
  448   1HB   ALA  60           HB1      ALA  60  -7.162  10.451   7.147
  449   2HB   ALA  60           HB2      ALA  60  -7.617   9.224   5.950
  450   3HB   ALA  60           HB3      ALA  60  -5.950   9.316   6.552
  451    H    VAL  61           H        VAL  61  -4.024  10.303   4.568
  452    HA   VAL  61           HA       VAL  61  -2.902  12.815   5.750
  453    HB   VAL  61           HB       VAL  61  -0.866  11.667   6.232
  454   1HG1  VAL  61          HG11      VAL  61  -3.234  10.163   7.423
  455   2HG1  VAL  61          HG12      VAL  61  -1.622  10.352   8.135
  456   3HG1  VAL  61          HG13      VAL  61  -2.666  11.768   7.936
  457   1HG2  VAL  61          HG21      VAL  61  -0.954   9.068   6.291
  458   2HG2  VAL  61          HG22      VAL  61  -2.176   9.210   5.027
  459   3HG2  VAL  61          HG23      VAL  61  -0.542   9.889   4.796
  460    H    GLY  62           H        GLY  62  -3.767  13.577   3.684
  461   1HA   GLY  62           HA1      GLY  62  -3.216  13.055   1.147
  462   2HA   GLY  62           HA2      GLY  62  -3.131  14.704   1.772
  463    H    HIS  63           HN       HIS  63  -1.402  12.221   0.259
  464    HA   HIS  63           HA       HIS  63   1.283  12.956   1.127
  465   1HB   HIS  63           HB2      HIS  63   0.121  11.006  -0.903
  466   2HB   HIS  63           HB3      HIS  63   1.837  11.284  -0.693
  467    HD1  HIS  63           HND      HIS  63  -0.885  10.334   1.983
  468    HD2  HIS  63           HD       HIS  63   2.999   9.539   0.615
  469    HE1  HIS  63           HE       HIS  63  -0.045   8.344   3.316
  470    H    SER  64           H        SER  64   3.015  13.392  -0.573
  471    HA   SER  64           HA       SER  64   2.299  15.805  -2.016
  472   1HB   SER  64           HB2      SER  64   4.722  15.979  -2.336
  473   2HB   SER  64           HB3      SER  64   4.373  15.555  -0.655
  474    HG   SER  64           HG       SER  64   6.043  14.247  -1.666
  475    H    THR  65           H        THR  65   3.289  16.171  -4.298
  476    HA   THR  65           HA       THR  65   2.435  14.431  -6.281
  477    HB   THR  65           HB       THR  65   4.928  16.127  -6.529
  478    HG1  THR  65           HG1      THR  65   3.515  17.925  -6.655
  479   1HG2  THR  65          HG21      THR  65   3.922  16.702  -8.706
  480   2HG2  THR  65          HG22      THR  65   4.081  14.946  -8.532
  481   3HG2  THR  65          HG23      THR  65   2.493  15.717  -8.324
  482    H    ASP  66           H        ASP  66   5.667  14.721  -4.756
  483    HA   ASP  66           HA       ASP  66   7.046  12.826  -6.275
  484   1HB   ASP  66           HB2      ASP  66   7.672  14.485  -4.138
  485   2HB   ASP  66           HB3      ASP  66   7.660  12.914  -3.326
  486    H    ALA  67           H        ALA  67   5.106  12.394  -3.325
  487    HA   ALA  67           HA       ALA  67   5.432   9.542  -3.129
  488   1HB   ALA  67           HB1      ALA  67   3.457  11.521  -2.054
  489   2HB   ALA  67           HB2      ALA  67   3.214   9.766  -1.835
  490   3HB   ALA  67           HB3      ALA  67   4.659  10.561  -1.178
  491    H    ARG  68           H        ARG  68   2.881  11.589  -4.675
  492    HA   ARG  68           HA       ARG  68   1.189   9.462  -5.515
  493   1HB   ARG  68           HB2      ARG  68   1.671  12.261  -6.561
  494   2HB   ARG  68           HB3      ARG  68   0.521  11.183  -7.347
  495   1HG   ARG  68           HG2      ARG  68  -0.927  11.102  -5.494
  496   2HG   ARG  68           HG3      ARG  68   0.358  11.510  -4.361
  497   1HD   ARG  68           HD2      ARG  68  -0.980  13.375  -4.337
  498   2HD   ARG  68           HD3      ARG  68   0.421  13.835  -5.312
  499    HE   ARG  68           HE       ARG  68  -1.758  12.862  -6.955
  500   1HH1  ARG  68          HH11      ARG  68  -3.233  16.033  -7.531
  501   2HH1  ARG  68          HH12      ARG  68  -3.258  14.357  -7.966
  502   1HH2  ARG  68          HH21      ARG  68  -1.740  16.800  -5.862
  503   2HH2  ARG  68          HH22      ARG  68  -0.700  15.650  -5.082
  504    H    GLU  69           H        GLU  69   4.175  10.759  -6.936
  505    HA   GLU  69           HA       GLU  69   3.919   9.150  -9.369
  506   1HB   GLU  69           HB2      GLU  69   5.733  11.178  -8.199
  507   2HB   GLU  69           HB3      GLU  69   6.482  10.111  -9.377
  508   1HG   GLU  69           HG2      GLU  69   3.831  11.522  -9.947
  509   2HG   GLU  69           HG3      GLU  69   5.389  12.306 -10.213
  510    H    LEU  70           H        LEU  70   5.924   9.111  -6.440
  511    HA   LEU  70           HA       LEU  70   7.485   6.913  -6.913
  512   1HB   LEU  70           HB2      LEU  70   7.723   8.482  -5.070
  513   2HB   LEU  70           HB3      LEU  70   6.255   7.826  -4.340
  514    HG   LEU  70           HG       LEU  70   7.290   6.292  -3.230
  515   1HD1  LEU  70          HD11      LEU  70   7.478   4.720  -4.816
  516   2HD1  LEU  70          HD12      LEU  70   8.797   5.552  -5.702
  517   3HD1  LEU  70          HD13      LEU  70   9.092   4.805  -4.109
  518   1HD2  LEU  70          HD21      LEU  70   8.783   8.214  -2.860
  519   2HD2  LEU  70          HD22      LEU  70   9.607   6.657  -2.672
  520   3HD2  LEU  70          HD23      LEU  70   9.854   7.615  -4.149
  521    H    SER  71           H        SER  71   4.342   6.944  -5.237
  522    HA   SER  71           HA       SER  71   3.783   4.272  -4.898
  523   1HB   SER  71           HB2      SER  71   1.765   6.273  -6.087
  524   2HB   SER  71           HB3      SER  71   1.424   4.845  -5.099
  525    HG   SER  71           HG       SER  71   2.675   7.268  -4.325
  526    H    LYS  72           H        LYS  72   3.196   6.136  -8.026
  527    HA   LYS  72           HA       LYS  72   2.234   3.847  -9.449
  528   1HB   LYS  72           HB2      LYS  72   3.534   6.450 -10.383
  529   2HB   LYS  72           HB3      LYS  72   3.153   5.127 -11.473
  530   1HG   LYS  72           HG2      LYS  72   0.741   5.259 -10.451
  531   2HG   LYS  72           HG3      LYS  72   1.251   6.880  -9.914
  532   1HD   LYS  72           HD2      LYS  72   1.951   7.405 -12.257
  533   2HD   LYS  72           HD3      LYS  72   1.476   5.769 -12.761
  534   1HE   LYS  72           HE2      LYS  72  -0.894   6.318 -12.011
  535   2HE   LYS  72           HE3      LYS  72  -0.366   7.999 -11.813
  536   1HZ   LYS  72           HZ1      LYS  72  -0.254   6.438 -14.322
  537   2HZ   LYS  72           HZ2      LYS  72  -1.334   7.633 -13.984
  538   3HZ   LYS  72           HZ3      LYS  72   0.262   7.987 -14.147
  539    H    THR  73           H        THR  73   5.510   5.106  -8.927
  540    HA   THR  73           HA       THR  73   6.876   3.213 -10.619
  541    HB   THR  73           HB       THR  73   7.614   5.267  -8.598
  542    HG1  THR  73           HG1      THR  73   7.663   5.575 -10.816
  543   1HG2  THR  73          HG21      THR  73   9.979   4.558  -8.511
  544   2HG2  THR  73          HG22      THR  73   8.906   3.578  -7.521
  545   3HG2  THR  73          HG23      THR  73   9.507   2.945  -9.079
  546    H    PHE  74           H        PHE  74   5.349   2.878  -7.553
  547    HA   PHE  74           HA       PHE  74   6.561   0.179  -7.064
  548   1HB   PHE  74           HB2      PHE  74   5.028   2.203  -5.407
  549   2HB   PHE  74           HB3      PHE  74   4.957   0.501  -4.996
  550    HD1  PHE  74           HD1      PHE  74   5.884   0.669  -2.907
  551    HD2  PHE  74           HD2      PHE  74   8.123   1.922  -6.350
  552    HE1  PHE  74           HE1      PHE  74   7.803   1.136  -1.487
  553    HE2  PHE  74           HE2      PHE  74  10.087   2.347  -4.928
  554    HZ   PHE  74           HZ       PHE  74   9.970   1.865  -2.477
  555    H    ILE  75           H        ILE  75   4.020   1.414  -8.885
  556    HA   ILE  75           HA       ILE  75   1.882  -0.218  -7.925
  557    HB   ILE  75           HB       ILE  75   2.003   1.721  -9.729
  558   1HG1  ILE  75          HG12      ILE  75  -0.007  -0.502  -9.478
  559   2HG1  ILE  75          HG13      ILE  75   0.084   1.063  -8.632
  560   1HG2  ILE  75          HG21      ILE  75   3.219   0.312 -11.420
  561   2HG2  ILE  75          HG22      ILE  75   1.769  -0.728 -11.500
  562   3HG2  ILE  75          HG23      ILE  75   1.703   0.980 -12.006
  563   1HD1  ILE  75          HD11      ILE  75  -1.600   1.213 -10.307
  564   2HD1  ILE  75          HD12      ILE  75  -0.212   2.241 -10.763
  565   3HD1  ILE  75          HD13      ILE  75  -0.492   0.667 -11.572
  566    H    ILE  76           H        ILE  76   1.555  -2.373  -7.985
  567    HA   ILE  76           HA       ILE  76   3.443  -4.039  -9.629
  568    HB   ILE  76           HB       ILE  76   2.598  -5.888  -8.177
  569   1HG1  ILE  76          HG12      ILE  76   1.663  -3.665  -6.309
  570   2HG1  ILE  76          HG13      ILE  76   0.555  -4.521  -7.370
  571   1HG2  ILE  76          HG21      ILE  76   4.052  -3.590  -6.781
  572   2HG2  ILE  76          HG22      ILE  76   4.172  -5.310  -6.372
  573   3HG2  ILE  76          HG23      ILE  76   4.799  -4.732  -7.912
  574   1HD1  ILE  76          HD11      ILE  76   1.326  -5.276  -4.809
  575   2HD1  ILE  76          HD12      ILE  76   0.526  -6.327  -6.006
  576   3HD1  ILE  76          HD13      ILE  76   2.287  -6.353  -5.827
  577    H    GLY  77           H        GLY  77   0.170  -2.889  -9.478
  578   1HA   GLY  77           HA1      GLY  77  -0.631  -3.693 -11.975
  579   2HA   GLY  77           HA2      GLY  77  -1.047  -5.058 -10.907
  580    H    GLU  78           H        GLU  78  -3.235  -4.633 -11.203
  581    HA   GLU  78           HA       GLU  78  -4.284  -2.244  -9.781
  582   1HB   GLU  78           HB2      GLU  78  -4.747  -3.094 -12.579
  583   2HB   GLU  78           HB3      GLU  78  -6.213  -2.844 -11.644
  584   1HG   GLU  78           HG2      GLU  78  -5.397  -0.609 -10.950
  585   2HG   GLU  78           HG3      GLU  78  -4.008  -0.807 -12.049
  586    H    LEU  79           H        LEU  79  -6.606  -2.533  -9.279
  587    HA   LEU  79           HA       LEU  79  -6.951  -4.979  -7.719
  588   1HB   LEU  79           HB2      LEU  79  -7.674  -2.802  -6.870
  589   2HB   LEU  79           HB3      LEU  79  -8.627  -2.560  -8.351
  590    HG   LEU  79           HG       LEU  79  -9.953  -4.654  -7.644
  591   1HD1  LEU  79          HD11      LEU  79  -9.208  -4.020  -4.811
  592   2HD1  LEU  79          HD12      LEU  79  -9.773  -5.538  -5.524
  593   3HD1  LEU  79          HD13      LEU  79  -8.090  -5.045  -5.721
  594   1HD2  LEU  79          HD21      LEU  79 -11.528  -3.324  -6.768
  595   2HD2  LEU  79          HD22      LEU  79 -10.410  -2.373  -5.760
  596   3HD2  LEU  79          HD23      LEU  79 -10.529  -2.111  -7.511
  597    H    HIS  80           H        HIS  80  -8.150  -6.737  -8.300
  598    HA   HIS  80           HA       HIS  80  -8.767  -7.359 -10.950
  599   1HB   HIS  80           HB2      HIS  80  -8.563  -8.841  -8.851
  600   2HB   HIS  80           HB3      HIS  80 -10.263  -8.496  -8.572
  601    HD1  HIS  80           HD1      HIS  80 -11.647 -10.389  -9.533
  602    HD2  HIS  80           HD2      HIS  80  -7.930  -9.956 -11.399
  603    HE1  HIS  80           HE1      HIS  80 -11.540 -12.209 -11.313
  604    HA   PRO  81           HA       PRO  81 -12.473  -5.090 -11.710
  605   1HB   PRO  81           HB2      PRO  81 -13.492  -6.456 -13.868
  606   2HB   PRO  81           HB3      PRO  81 -12.111  -5.326 -13.939
  607   1HG   PRO  81           HG2      PRO  81 -12.026  -8.344 -13.776
  608   2HG   PRO  81           HG3      PRO  81 -11.049  -7.266 -14.820
  609   1HD   PRO  81           HD2      PRO  81 -10.145  -8.333 -12.511
  610   2HD   PRO  81           HD3      PRO  81  -9.620  -6.714 -13.051
  611    H    ASP  82           H        ASP  82 -12.428  -8.444 -10.655
  612    HA   ASP  82           HA       ASP  82 -15.347  -8.611 -10.527
  613   1HB   ASP  82           HB2      ASP  82 -15.121 -10.775 -10.086
  614   2HB   ASP  82           HB3      ASP  82 -13.512 -10.569 -10.719
  615    H    ASP  83           H        ASP  83 -12.822  -7.272  -8.551
  616    HA   ASP  83           HA       ASP  83 -14.233  -7.379  -6.027
  617   1HB   ASP  83           HB2      ASP  83 -11.831  -7.214  -6.068
  618   2HB   ASP  83           HB3      ASP  83 -11.913  -5.712  -7.023
  619    H    ARG  84           H        ARG  84 -14.073  -5.139  -8.733
  620    HA   ARG  84           HA       ARG  84 -14.950  -2.789  -7.458
  621   1HB   ARG  84           HB2      ARG  84 -14.385  -3.635 -10.188
  622   2HB   ARG  84           HB3      ARG  84 -15.937  -2.812 -10.166
  623   1HG   ARG  84           HG2      ARG  84 -14.455  -1.101 -10.575
  624   2HG   ARG  84           HG3      ARG  84 -14.848  -0.935  -8.866
  625   1HD   ARG  84           HD2      ARG  84 -12.433  -0.672  -9.091
  626   2HD   ARG  84           HD3      ARG  84 -12.788  -2.174  -8.261
  627    HE   ARG  84           HE       ARG  84 -11.745  -3.348  -9.917
  628   1HH1  ARG  84          HH11      ARG  84 -10.500  -2.336 -13.060
  629   2HH1  ARG  84          HH12      ARG  84 -10.355  -3.500 -11.780
  630   1HH2  ARG  84          HH21      ARG  84 -11.807  -0.375 -12.717
  631   2HH2  ARG  84          HH22      ARG  84 -12.696  -0.234 -11.228
  632    HHA  HEM 201           HGM      HEM 201   4.695  10.996   5.081
  633    HHB  HEM 201           HDM      HEM 201   5.899   7.859  -0.459
  634    HHC  HEM 201           HAM      HEM 201   0.918   3.942   0.800
  635    HHD  HEM 201           HBM      HEM 201   0.271   6.601   6.633
  636   1HMA  HEM 201          HM81      HEM 201   6.807  10.610  -0.322
  637   2HMA  HEM 201          HM82      HEM 201   7.998  10.784   0.979
  638   3HMA  HEM 201          HM83      HEM 201   7.787   9.220   0.195
  639   1HAA  HEM 201          HAA1      HEM 201   6.954  12.288   2.306
  640   2HAA  HEM 201          HAA2      HEM 201   5.472  12.440   3.218
  641   1HBA  HEM 201          HBA1      HEM 201   8.237  11.828   4.162
  642   2HBA  HEM 201          HBA2      HEM 201   6.949  10.979   5.023
  643   1HMB  HEM 201          HM11      HEM 201   5.057   6.797  -2.519
  644   2HMB  HEM 201          HM12      HEM 201   5.821   5.294  -1.918
  645   3HMB  HEM 201          HM13      HEM 201   4.354   5.226  -2.898
  646    HAB  HEM 201          HT2A      HEM 201   2.427   2.973  -1.282
  647   1HBB  HEM 201          HV2C      HEM 201   0.928   5.320  -2.364
  648   2HBB  HEM 201          HV2T      HEM 201   0.847   3.507  -2.844
  649   1HMC  HEM 201          HM31      HEM 201  -0.420   2.373   2.728
  650   2HMC  HEM 201          HM32      HEM 201  -1.905   3.182   3.280
  651   3HMC  HEM 201          HM33      HEM 201  -1.249   3.541   1.674
  652    HAC  HEM 201          HT4A      HEM 201  -1.410   3.559   5.826
  653   1HBC  HEM 201          HV4C      HEM 201  -2.147   6.528   5.550
  654   2HBC  HEM 201          HV4T      HEM 201  -3.115   5.185   6.400
  655   1HMD  HEM 201          HM51      HEM 201   0.185   8.348   8.181
  656   2HMD  HEM 201          HM52      HEM 201   1.714   7.742   8.856
  657   3HMD  HEM 201          HM53      HEM 201   1.338   9.462   8.908
  658   1HAD  HEM 201          HAD1      HEM 201   3.668  10.186   8.538
  659   2HAD  HEM 201          HAD2      HEM 201   4.318  11.177   7.255
  660   1HBD  HEM 201          HBD1      HEM 201   2.652  12.680   7.342
  661   2HBD  HEM 201          HBD2      HEM 201   1.418  11.495   7.774
  Start of MODEL   22
    1   1H    ALA   3           H1       ALA   3   2.747 -10.297 -16.279
    2   2H    ALA   3           H2       ALA   3   2.360 -11.367 -17.453
    3   3H    ALA   3           H3       ALA   3   3.781 -10.509 -17.579
    4    HA   ALA   3           HA       ALA   3   2.756  -8.589 -18.180
    5   1HB   ALA   3           HB1      ALA   3   0.621  -9.107 -19.507
    6   2HB   ALA   3           HB2      ALA   3   2.033 -10.076 -19.950
    7   3HB   ALA   3           HB3      ALA   3   0.755 -10.778 -18.934
    8    H    VAL   4           H        VAL   4   0.231  -7.504 -18.092
    9    HA   VAL   4           HA       VAL   4  -0.190  -6.908 -15.378
   10    HB   VAL   4           HB       VAL   4  -1.008  -5.543 -17.233
   11   1HG1  VAL   4          HG11      VAL   4  -3.236  -7.591 -17.617
   12   2HG1  VAL   4          HG12      VAL   4  -3.000  -6.080 -18.505
   13   3HG1  VAL   4          HG13      VAL   4  -1.851  -7.408 -18.711
   14   1HG2  VAL   4          HG21      VAL   4  -3.269  -4.987 -16.325
   15   2HG2  VAL   4          HG22      VAL   4  -3.166  -6.401 -15.266
   16   3HG2  VAL   4          HG23      VAL   4  -1.992  -5.075 -15.103
   17    H    LYS   5           H        LYS   5  -1.343  -7.840 -13.801
   18    HA   LYS   5           HA       LYS   5  -3.307  -9.926 -14.300
   19   1HB   LYS   5           HB2      LYS   5  -1.193 -11.217 -14.310
   20   2HB   LYS   5           HB3      LYS   5  -0.792 -10.598 -12.697
   21   1HG   LYS   5           HG2      LYS   5  -2.796 -11.666 -11.754
   22   2HG   LYS   5           HG3      LYS   5  -3.344 -12.127 -13.380
   23   1HD   LYS   5           HD2      LYS   5  -1.316 -13.514 -13.689
   24   2HD   LYS   5           HD3      LYS   5  -0.789 -13.156 -12.042
   25   1HE   LYS   5           HE2      LYS   5  -3.511 -14.408 -12.694
   26   2HE   LYS   5           HE3      LYS   5  -2.060 -15.396 -12.508
   27   1HZ   LYS   5           HZ1      LYS   5  -3.421 -15.168 -10.489
   28   2HZ   LYS   5           HZ2      LYS   5  -1.854 -14.729 -10.281
   29   3HZ   LYS   5           HZ3      LYS   5  -3.025 -13.577 -10.401
   30    H    TYR   6           H        TYR   6  -4.745  -8.581 -13.376
   31    HA   TYR   6           HA       TYR   6  -4.344  -6.950 -11.124
   32   1HB   TYR   6           HB2      TYR   6  -6.929  -8.307 -11.967
   33   2HB   TYR   6           HB3      TYR   6  -6.724  -6.814 -11.035
   34    HD1  TYR   6           HD1      TYR   6  -6.493  -4.718 -12.111
   35    HD2  TYR   6           HD2      TYR   6  -6.640  -8.328 -14.422
   36    HE1  TYR   6           HE1      TYR   6  -6.542  -3.365 -14.209
   37    HE2  TYR   6           HE2      TYR   6  -6.741  -7.000 -16.504
   38    HH   TYR   6           HH       TYR   6  -6.649  -4.886 -17.437
   39    H    TYR   7           H        TYR   7  -5.291  -7.261  -8.909
   40    HA   TYR   7           HA       TYR   7  -5.164 -10.127  -8.018
   41   1HB   TYR   7           HB2      TYR   7  -4.243  -7.731  -6.440
   42   2HB   TYR   7           HB3      TYR   7  -4.054  -9.435  -6.036
   43    HD1  TYR   7           HD1      TYR   7  -2.707  -6.569  -7.802
   44    HD2  TYR   7           HD2      TYR   7  -2.408 -10.840  -7.380
   45    HE1  TYR   7           HE1      TYR   7  -0.637  -6.543  -9.120
   46    HE2  TYR   7           HE2      TYR   7  -0.275 -10.810  -8.669
   47    HH   TYR   7           HH       TYR   7   1.030  -7.752 -10.066
   48    H    THR   8           H        THR   8  -6.788 -10.799  -6.688
   49    HA   THR   8           HA       THR   8  -9.188  -9.160  -6.474
   50    HB   THR   8           HB       THR   8 -10.079 -11.161  -5.315
   51    HG1  THR   8           HG1      THR   8  -8.141 -12.956  -5.590
   52   1HG2  THR   8          HG21      THR   8  -9.925 -12.751  -7.185
   53   2HG2  THR   8          HG22      THR   8 -10.178 -11.095  -7.744
   54   3HG2  THR   8          HG23      THR   8  -8.569 -11.838  -7.881
   55    H    LEU   9           H        LEU   9 -10.224  -8.664  -4.385
   56    HA   LEU   9           HA       LEU   9  -8.562  -7.444  -2.526
   57   1HB   LEU   9           HB2      LEU   9 -11.315  -7.808  -2.901
   58   2HB   LEU   9           HB3      LEU   9 -11.046  -8.552  -1.359
   59    HG   LEU   9           HG       LEU   9 -10.311  -5.712  -2.186
   60   1HD1  LEU   9          HD11      LEU   9 -12.184  -6.389   0.086
   61   2HD1  LEU   9          HD12      LEU   9 -12.104  -4.939  -0.937
   62   3HD1  LEU   9          HD13      LEU   9 -12.784  -6.444  -1.571
   63   1HD2  LEU   9          HD21      LEU   9  -8.614  -6.439  -0.538
   64   2HD2  LEU   9          HD22      LEU   9  -9.755  -5.339   0.242
   65   3HD2  LEU   9          HD23      LEU   9  -9.889  -7.088   0.511
   66    H    GLU  10           H        GLU  10  -9.825 -10.770  -2.634
   67    HA   GLU  10           HA       GLU  10  -8.858 -11.681  -0.151
   68   1HB   GLU  10           HB2      GLU  10 -10.450 -12.864  -1.699
   69   2HB   GLU  10           HB3      GLU  10  -9.076 -13.338  -2.681
   70   1HG   GLU  10           HG2      GLU  10  -9.640 -15.153  -1.153
   71   2HG   GLU  10           HG3      GLU  10  -8.053 -14.509  -0.744
   72    H    GLU  11           H        GLU  11  -7.373 -12.097  -3.417
   73    HA   GLU  11           HA       GLU  11  -4.979 -13.242  -2.533
   74   1HB   GLU  11           HB2      GLU  11  -5.876 -11.912  -5.010
   75   2HB   GLU  11           HB3      GLU  11  -4.200 -11.550  -4.665
   76   1HG   GLU  11           HG2      GLU  11  -4.311 -13.555  -6.031
   77   2HG   GLU  11           HG3      GLU  11  -3.721 -13.985  -4.419
   78    H    ILE  12           H        ILE  12  -5.766  -9.762  -2.844
   79    HA   ILE  12           HA       ILE  12  -3.187  -8.910  -1.942
   80    HB   ILE  12           HB       ILE  12  -5.873  -7.473  -1.869
   81   1HG1  ILE  12          HG12      ILE  12  -3.659  -7.096  -3.923
   82   2HG1  ILE  12          HG13      ILE  12  -4.879  -8.336  -4.155
   83   1HG2  ILE  12          HG21      ILE  12  -4.198  -5.433  -2.039
   84   2HG2  ILE  12          HG22      ILE  12  -4.475  -6.189  -0.460
   85   3HG2  ILE  12          HG23      ILE  12  -3.022  -6.582  -1.405
   86   1HD1  ILE  12          HD11      ILE  12  -5.644  -6.390  -5.323
   87   2HD1  ILE  12          HD12      ILE  12  -6.683  -6.639  -3.929
   88   3HD1  ILE  12          HD13      ILE  12  -5.421  -5.383  -3.895
   89    H    GLN  13           H        GLN  13  -6.257  -9.460  -0.133
   90    HA   GLN  13           HA       GLN  13  -5.415  -8.762   2.442
   91   1HB   GLN  13           HB2      GLN  13  -7.453 -10.647   1.274
   92   2HB   GLN  13           HB3      GLN  13  -7.090 -10.758   2.968
   93   1HG   GLN  13           HG2      GLN  13  -7.539  -7.954   2.164
   94   2HG   GLN  13           HG3      GLN  13  -8.882  -9.002   1.729
   95   1HE2  GLN  13          HE21      GLN  13 -10.461  -8.829   3.276
   96   2HE2  GLN  13          HE22      GLN  13 -10.145  -8.883   5.003
   97    H    LYS  14           H        LYS  14  -4.971 -11.853   0.708
   98    HA   LYS  14           HA       LYS  14  -3.861 -13.352   2.812
   99   1HB   LYS  14           HB2      LYS  14  -3.305 -13.346  -0.169
  100   2HB   LYS  14           HB3      LYS  14  -2.616 -14.546   0.904
  101   1HG   LYS  14           HG2      LYS  14  -5.589 -14.098   1.124
  102   2HG   LYS  14           HG3      LYS  14  -5.031 -14.791  -0.392
  103   1HD   LYS  14           HD2      LYS  14  -4.290 -16.743   0.549
  104   2HD   LYS  14           HD3      LYS  14  -3.877 -15.989   2.104
  105   1HE   LYS  14           HE2      LYS  14  -6.263 -15.770   2.687
  106   2HE   LYS  14           HE3      LYS  14  -6.738 -16.519   1.158
  107   1HZ   LYS  14           HZ1      LYS  14  -5.708 -18.532   1.850
  108   2HZ   LYS  14           HZ2      LYS  14  -5.057 -17.835   3.195
  109   3HZ   LYS  14           HZ3      LYS  14  -6.686 -18.026   3.073
  110    H    HIS  15           H        HIS  15  -2.479 -10.608   1.154
  111    HA   HIS  15           HA       HIS  15   0.242 -11.093   2.269
  112   1HB   HIS  15           HB2      HIS  15  -0.692  -9.117   0.124
  113   2HB   HIS  15           HB3      HIS  15   0.909  -9.332   0.739
  114    HD1  HIS  15           HD1      HIS  15   2.210 -10.096  -1.258
  115    HD2  HIS  15           HD2      HIS  15  -1.349 -12.233  -0.582
  116    HE1  HIS  15           HE1      HIS  15   2.164 -12.020  -2.942
  117    H    ASN  16           H        ASN  16  -0.935 -10.697   4.392
  118    HA   ASN  16           HA       ASN  16  -1.047  -7.767   5.046
  119   1HB   ASN  16           HB2      ASN  16  -2.802  -8.159   6.618
  120   2HB   ASN  16           HB3      ASN  16  -3.328  -8.783   5.068
  121   1HD2  ASN  16          HD21      ASN  16  -3.028 -11.171   4.732
  122   2HD2  ASN  16          HD22      ASN  16  -3.184 -12.258   6.095
  123    H    ASN  17           H        ASN  17   1.448  -9.120   5.270
  124    HA   ASN  17           HA       ASN  17   1.837  -8.912   8.152
  125   1HB   ASN  17           HB2      ASN  17   1.074 -11.420   7.346
  126   2HB   ASN  17           HB3      ASN  17   2.814 -11.555   7.113
  127   1HD2  ASN  17          HD21      ASN  17   4.214 -11.443   9.119
  128   2HD2  ASN  17          HD22      ASN  17   3.413 -11.591  10.665
  129    H    SER  18           H        SER  18   4.251  -9.527   8.676
  130    HA   SER  18           HA       SER  18   6.002  -7.894   7.155
  131   1HB   SER  18           HB2      SER  18   7.606  -9.371   8.788
  132   2HB   SER  18           HB3      SER  18   6.656  -7.997   9.331
  133    HG   SER  18           HG       SER  18   6.433 -10.187  10.447
  134    H    LYS  19           H        LYS  19   5.463  -8.919   5.100
  135    HA   LYS  19           HA       LYS  19   7.659 -10.530   4.152
  136   1HB   LYS  19           HB2      LYS  19   5.104 -11.897   4.839
  137   2HB   LYS  19           HB3      LYS  19   5.476 -12.028   3.135
  138   1HG   LYS  19           HG2      LYS  19   7.927 -12.708   4.070
  139   2HG   LYS  19           HG3      LYS  19   6.972 -13.107   5.499
  140   1HD   LYS  19           HD2      LYS  19   7.003 -15.115   4.251
  141   2HD   LYS  19           HD3      LYS  19   5.427 -14.407   3.850
  142   1HE   LYS  19           HE2      LYS  19   6.571 -13.370   1.769
  143   2HE   LYS  19           HE3      LYS  19   8.010 -14.304   2.182
  144   1HZ   LYS  19           HZ1      LYS  19   6.832 -16.291   1.785
  145   2HZ   LYS  19           HZ2      LYS  19   5.378 -15.522   1.673
  146   3HZ   LYS  19           HZ3      LYS  19   6.518 -15.296   0.515
  147    H    SER  20           H        SER  20   4.336  -9.323   3.542
  148    HA   SER  20           HA       SER  20   5.222  -8.097   1.021
  149   1HB   SER  20           HB2      SER  20   4.717 -10.507   0.557
  150   2HB   SER  20           HB3      SER  20   3.040 -10.186   1.018
  151    HG   SER  20           HG       SER  20   4.463  -8.691  -0.968
  152    H    THR  21           H        THR  21   4.742  -6.274   2.621
  153    HA   THR  21           HA       THR  21   1.947  -5.798   3.272
  154    HB   THR  21           HB       THR  21   4.394  -4.049   3.315
  155    HG1  THR  21           HG1      THR  21   2.569  -5.025   5.255
  156   1HG2  THR  21          HG21      THR  21   2.867  -2.362   2.835
  157   2HG2  THR  21          HG22      THR  21   1.510  -3.193   3.601
  158   3HG2  THR  21          HG23      THR  21   2.775  -2.450   4.594
  159    H    TRP  22           H        TRP  22   0.873  -6.313   1.436
  160    HA   TRP  22           HA       TRP  22   0.879  -4.373  -0.829
  161   1HB   TRP  22           HB2      TRP  22  -0.657  -6.941  -0.275
  162   2HB   TRP  22           HB3      TRP  22  -0.935  -5.882  -1.658
  163    HD1  TRP  22           HD1      TRP  22   2.681  -6.330  -0.881
  164    HE1  TRP  22           HE1      TRP  22   3.807  -7.503  -2.747
  165    HE3  TRP  22           HE3      TRP  22  -1.502  -8.073  -3.221
  166    HZ2  TRP  22           HZ2      TRP  22   2.999  -9.230  -5.003
  167    HZ3  TRP  22           HZ3      TRP  22  -1.301  -9.605  -5.138
  168    HH2  TRP  22           HH2      TRP  22   0.947 -10.140  -6.096
  169    H    LEU  23           H        LEU  23  -1.529  -3.705  -1.402
  170    HA   LEU  23           HA       LEU  23  -3.575  -3.562   0.447
  171   1HB   LEU  23           HB2      LEU  23  -3.304  -1.077   1.108
  172   2HB   LEU  23           HB3      LEU  23  -2.464  -2.298   2.014
  173    HG   LEU  23           HG       LEU  23  -0.373  -1.791   0.529
  174   1HD1  LEU  23          HD11      LEU  23  -2.075   0.615  -0.071
  175   2HD1  LEU  23          HD12      LEU  23  -0.339   0.516  -0.370
  176   3HD1  LEU  23          HD13      LEU  23  -1.435  -0.536  -1.270
  177   1HD2  LEU  23          HD21      LEU  23  -0.394  -1.178   2.804
  178   2HD2  LEU  23          HD22      LEU  23   0.118   0.248   1.881
  179   3HD2  LEU  23          HD23      LEU  23  -1.556   0.139   2.515
  180    H    ILE  24           H        ILE  24  -5.123  -1.720  -0.216
  181    HA   ILE  24           HA       ILE  24  -4.841  -1.223  -3.167
  182    HB   ILE  24           HB       ILE  24  -7.350  -1.676  -1.559
  183   1HG1  ILE  24          HG12      ILE  24  -6.395  -3.336  -3.902
  184   2HG1  ILE  24          HG13      ILE  24  -5.706  -3.643  -2.308
  185   1HG2  ILE  24          HG21      ILE  24  -6.934  -1.066  -4.521
  186   2HG2  ILE  24          HG22      ILE  24  -8.462  -1.621  -3.813
  187   3HG2  ILE  24          HG23      ILE  24  -7.802  -0.054  -3.347
  188   1HD1  ILE  24          HD11      ILE  24  -7.590  -5.118  -2.523
  189   2HD1  ILE  24          HD12      ILE  24  -7.951  -3.900  -1.299
  190   3HD1  ILE  24          HD13      ILE  24  -8.676  -3.773  -2.911
  191    H    LEU  25           H        LEU  25  -4.399   0.777  -3.629
  192    HA   LEU  25           HA       LEU  25  -5.631   3.070  -2.133
  193   1HB   LEU  25           HB2      LEU  25  -2.874   2.585  -3.164
  194   2HB   LEU  25           HB3      LEU  25  -3.541   4.212  -3.213
  195    HG   LEU  25           HG       LEU  25  -3.403   4.622  -1.074
  196   1HD1  LEU  25          HD11      LEU  25  -3.328   2.907   0.698
  197   2HD1  LEU  25          HD12      LEU  25  -4.834   3.062  -0.209
  198   3HD1  LEU  25          HD13      LEU  25  -3.762   1.704  -0.552
  199   1HD2  LEU  25          HD21      LEU  25  -1.299   3.507  -0.116
  200   2HD2  LEU  25          HD22      LEU  25  -1.221   2.568  -1.612
  201   3HD2  LEU  25          HD23      LEU  25  -1.165   4.348  -1.660
  202    H    HIS  26           H        HIS  26  -7.362   3.415  -3.313
  203    HA   HIS  26           HA       HIS  26  -8.603   4.237  -4.997
  204   1HB   HIS  26           HB2      HIS  26  -6.064   5.102  -6.388
  205   2HB   HIS  26           HB3      HIS  26  -7.686   5.762  -6.575
  206    HD1  HIS  26           HD1      HIS  26  -8.507   7.449  -4.561
  207    HD2  HIS  26           HD2      HIS  26  -4.612   5.910  -4.373
  208    HE1  HIS  26           HE1      HIS  26  -7.242   8.899  -2.884
  209    H    TYR  27           H        TYR  27  -8.311   1.557  -5.137
  210    HA   TYR  27           HA       TYR  27  -8.695  -0.223  -6.427
  211   1HB   TYR  27           HB2      TYR  27  -8.897   1.640  -8.821
  212   2HB   TYR  27           HB3      TYR  27  -9.516   0.011  -8.660
  213    HD1  TYR  27           HD1      TYR  27 -11.527  -0.494  -7.371
  214    HD2  TYR  27           HD2      TYR  27 -10.128   3.551  -7.800
  215    HE1  TYR  27           HE1      TYR  27 -13.591   0.322  -6.293
  216    HE2  TYR  27           HE2      TYR  27 -12.194   4.373  -6.721
  217    HH   TYR  27           HH       TYR  27 -14.138   3.784  -5.596
  218    H    LYS  28           H        LYS  28  -5.841   1.039  -6.199
  219    HA   LYS  28           HA       LYS  28  -4.574  -0.676  -8.279
  220   1HB   LYS  28           HB2      LYS  28  -3.557   1.976  -7.251
  221   2HB   LYS  28           HB3      LYS  28  -2.813   0.953  -8.496
  222   1HG   LYS  28           HG2      LYS  28  -5.037   1.276  -9.806
  223   2HG   LYS  28           HG3      LYS  28  -5.463   2.425  -8.552
  224   1HD   LYS  28           HD2      LYS  28  -3.114   3.516  -9.202
  225   2HD   LYS  28           HD3      LYS  28  -3.431   2.651 -10.727
  226   1HE   LYS  28           HE2      LYS  28  -5.786   3.697 -10.680
  227   2HE   LYS  28           HE3      LYS  28  -5.250   4.665  -9.294
  228   1HZ   LYS  28           HZ1      LYS  28  -5.034   5.927 -11.246
  229   2HZ   LYS  28           HZ2      LYS  28  -3.505   5.549 -10.765
  230   3HZ   LYS  28           HZ3      LYS  28  -4.206   4.746 -12.034
  231    H    VAL  29           H        VAL  29  -3.045  -2.063  -7.563
  232    HA   VAL  29           HA       VAL  29  -2.638  -2.251  -4.687
  233    HB   VAL  29           HB       VAL  29  -1.708  -4.224  -6.778
  234   1HG1  VAL  29          HG11      VAL  29  -1.907  -5.817  -4.941
  235   2HG1  VAL  29          HG12      VAL  29  -0.921  -4.463  -4.371
  236   3HG1  VAL  29          HG13      VAL  29  -2.619  -4.584  -3.883
  237   1HG2  VAL  29          HG21      VAL  29  -3.869  -5.413  -6.299
  238   2HG2  VAL  29          HG22      VAL  29  -4.473  -3.912  -5.570
  239   3HG2  VAL  29          HG23      VAL  29  -4.022  -3.966  -7.291
  240    H    TYR  30           H        TYR  30  -0.727  -2.022  -3.671
  241    HA   TYR  30           HA       TYR  30   1.732  -1.308  -5.225
  242   1HB   TYR  30           HB2      TYR  30   0.514   0.012  -2.767
  243   2HB   TYR  30           HB3      TYR  30   2.103   0.387  -3.387
  244    HD1  TYR  30           HD1      TYR  30   2.256   1.298  -5.822
  245    HD2  TYR  30           HD2      TYR  30  -1.487   0.849  -3.766
  246    HE1  TYR  30           HE1      TYR  30   1.140   2.791  -7.486
  247    HE2  TYR  30           HE2      TYR  30  -2.537   2.458  -5.327
  248    HH   TYR  30           HH       TYR  30  -2.180   3.948  -6.993
  249    H    ASP  31           H        ASP  31   3.302  -2.768  -4.693
  250    HA   ASP  31           HA       ASP  31   3.265  -4.065  -2.007
  251   1HB   ASP  31           HB2      ASP  31   3.950  -5.470  -3.945
  252   2HB   ASP  31           HB3      ASP  31   5.311  -4.372  -4.230
  253    H    LEU  32           H        LEU  32   4.095  -2.850  -0.394
  254    HA   LEU  32           HA       LEU  32   6.421  -1.078  -0.991
  255   1HB   LEU  32           HB2      LEU  32   4.389  -0.654   1.156
  256   2HB   LEU  32           HB3      LEU  32   5.621   0.476   0.719
  257    HG   LEU  32           HG       LEU  32   3.749  -0.178  -1.532
  258   1HD1  LEU  32          HD11      LEU  32   2.784   1.568   0.742
  259   2HD1  LEU  32          HD12      LEU  32   1.927   1.099  -0.753
  260   3HD1  LEU  32          HD13      LEU  32   2.262  -0.110   0.470
  261   1HD2  LEU  32          HD21      LEU  32   4.246   2.003  -2.184
  262   2HD2  LEU  32          HD22      LEU  32   4.705   2.505  -0.532
  263   3HD2  LEU  32          HD23      LEU  32   5.749   1.424  -1.474
  264    H    THR  33           H        THR  33   6.212  -3.958  -0.283
  265    HA   THR  33           HA       THR  33   6.433  -4.223   2.559
  266    HB   THR  33           HB       THR  33   5.755  -5.939   0.725
  267    HG1  THR  33           HG1      THR  33   7.395  -6.619   2.954
  268   1HG2  THR  33          HG21      THR  33   8.690  -6.738   0.977
  269   2HG2  THR  33          HG22      THR  33   7.400  -7.571   0.096
  270   3HG2  THR  33          HG23      THR  33   7.975  -6.004  -0.472
  271    H    LYS  34           H        LYS  34   8.748  -3.739  -0.031
  272    HA   LYS  34           HA       LYS  34  11.012  -3.871   1.860
  273   1HB   LYS  34           HB2      LYS  34  10.659  -4.634  -0.869
  274   2HB   LYS  34           HB3      LYS  34  11.587  -3.136  -0.933
  275   1HG   LYS  34           HG2      LYS  34  13.169  -4.863  -0.725
  276   2HG   LYS  34           HG3      LYS  34  13.061  -4.122   0.884
  277   1HD   LYS  34           HD2      LYS  34  11.334  -6.029   1.425
  278   2HD   LYS  34           HD3      LYS  34  11.853  -6.747  -0.106
  279   1HE   LYS  34           HE2      LYS  34  14.281  -6.545   0.866
  280   2HE   LYS  34           HE3      LYS  34  13.494  -6.208   2.417
  281   1HZ   LYS  34           HZ1      LYS  34  13.190  -8.649   0.794
  282   2HZ   LYS  34           HZ2      LYS  34  14.013  -8.512   2.210
  283   3HZ   LYS  34           HZ3      LYS  34  12.375  -8.355   2.197
  284    H    PHE  35           H        PHE  35   8.738  -1.844   1.869
  285    HA   PHE  35           HA       PHE  35  10.517   0.491   1.954
  286   1HB   PHE  35           HB2      PHE  35   8.667   0.138  -0.052
  287   2HB   PHE  35           HB3      PHE  35   7.687   0.850   1.162
  288    HD1  PHE  35           HD1      PHE  35  11.281   1.481   0.099
  289    HD2  PHE  35           HD2      PHE  35   7.321   3.143   0.617
  290    HE1  PHE  35           HE1      PHE  35  12.150   3.709  -0.433
  291    HE2  PHE  35           HE2      PHE  35   8.206   5.387   0.040
  292    HZ   PHE  35           HZ       PHE  35  10.620   5.675  -0.501
  293    H    LEU  36           H        LEU  36   8.984  -1.565   3.904
  294    HA   LEU  36           HA       LEU  36   7.055   0.039   5.220
  295   1HB   LEU  36           HB2      LEU  36   8.767  -2.255   6.285
  296   2HB   LEU  36           HB3      LEU  36   7.370  -1.593   7.131
  297    HG   LEU  36           HG       LEU  36   7.192  -2.711   4.311
  298   1HD1  LEU  36          HD11      LEU  36   6.625  -4.132   6.936
  299   2HD1  LEU  36          HD12      LEU  36   6.287  -4.758   5.303
  300   3HD1  LEU  36          HD13      LEU  36   7.961  -4.477   5.816
  301   1HD2  LEU  36          HD21      LEU  36   5.085  -1.988   4.373
  302   2HD2  LEU  36          HD22      LEU  36   4.778  -2.849   5.906
  303   3HD2  LEU  36          HD23      LEU  36   5.375  -1.197   5.926
  304    H    GLU  37           H        GLU  37  10.399  -0.657   6.208
  305    HA   GLU  37           HA       GLU  37  10.384   1.302   8.323
  306   1HB   GLU  37           HB2      GLU  37  11.880  -0.941   7.717
  307   2HB   GLU  37           HB3      GLU  37  13.016   0.341   7.281
  308   1HG   GLU  37           HG2      GLU  37  12.871   1.244   9.552
  309   2HG   GLU  37           HG3      GLU  37  11.542   0.136   9.951
  310    H    GLU  38           H        GLU  38  11.395   1.257   4.932
  311    HA   GLU  38           HA       GLU  38  12.921   3.665   4.878
  312   1HB   GLU  38           HB2      GLU  38  11.294   2.299   2.731
  313   2HB   GLU  38           HB3      GLU  38  12.508   3.506   2.431
  314   1HG   GLU  38           HG2      GLU  38  13.667   1.333   4.037
  315   2HG   GLU  38           HG3      GLU  38  12.900   0.695   2.574
  316    H    HIS  39           HN       HIS  39   9.471   2.922   4.233
  317    HA   HIS  39           HA       HIS  39   8.710   5.351   3.181
  318   1HB   HIS  39           HB2      HIS  39   7.222   3.530   3.011
  319   2HB   HIS  39           HB3      HIS  39   7.180   3.300   4.765
  320    HD1  HIS  39           HND      HIS  39   5.970   5.211   6.204
  321    HD2  HIS  39           HD       HIS  39   5.400   5.316   2.045
  322    HE1  HIS  39           HE       HIS  39   4.019   6.733   5.821
  323    HA   PRO  40           HA       PRO  40   9.247   7.853   6.900
  324   1HB   PRO  40           HB2      PRO  40   8.399  10.273   5.955
  325   2HB   PRO  40           HB3      PRO  40   9.945   9.515   5.473
  326   1HG   PRO  40           HG2      PRO  40   7.319   9.453   4.004
  327   2HG   PRO  40           HG3      PRO  40   8.930   9.836   3.324
  328   1HD   PRO  40           HD2      PRO  40   7.750   7.381   3.135
  329   2HD   PRO  40           HD3      PRO  40   9.527   7.543   3.313
  330    H    GLY  41           H        GLY  41   7.688   6.557   7.958
  331   1HA   GLY  41           HA1      GLY  41   5.395   8.072   8.922
  332   2HA   GLY  41           HA2      GLY  41   4.917   6.650   7.977
  333    H    GLY  42           H        GLY  42   7.008   4.868   8.683
  334   1HA   GLY  42           HA1      GLY  42   7.961   3.851  10.646
  335   2HA   GLY  42           HA2      GLY  42   6.642   4.476  11.638
  336    H    GLU  43           H        GLU  43   7.735   1.688  10.445
  337    HA   GLU  43           HA       GLU  43   5.534   0.446   9.195
  338   1HB   GLU  43           HB2      GLU  43   6.649  -1.643   9.782
  339   2HB   GLU  43           HB3      GLU  43   7.734  -0.428   9.125
  340   1HG   GLU  43           HG2      GLU  43   9.106  -1.080  10.796
  341   2HG   GLU  43           HG3      GLU  43   8.182   0.070  11.760
  342    H    ALA  44           H        ALA  44   3.628   0.618  10.046
  343    HA   ALA  44           HA       ALA  44   2.636  -0.826  12.277
  344   1HB   ALA  44           HB1      ALA  44   1.897   1.233  13.622
  345   2HB   ALA  44           HB2      ALA  44   3.593   0.777  13.811
  346   3HB   ALA  44           HB3      ALA  44   3.160   2.146  12.764
  347    H    VAL  45           H        VAL  45   2.061   2.484  10.938
  348    HA   VAL  45           HA       VAL  45  -0.636   1.810  10.257
  349    HB   VAL  45           HB       VAL  45   0.077   4.105  10.700
  350   1HG1  VAL  45          HG11      VAL  45   2.207   4.137   9.419
  351   2HG1  VAL  45          HG12      VAL  45   1.270   4.105   7.902
  352   3HG1  VAL  45          HG13      VAL  45   1.116   5.471   9.016
  353   1HG2  VAL  45          HG21      VAL  45  -1.458   3.361   8.204
  354   2HG2  VAL  45          HG22      VAL  45  -2.042   3.929   9.772
  355   3HG2  VAL  45          HG23      VAL  45  -1.246   5.059   8.668
  356    H    LEU  46           H        LEU  46   2.466   1.956   8.000
  357    HA   LEU  46           HA       LEU  46   0.781   1.104   5.900
  358   1HB   LEU  46           HB2      LEU  46   3.720   0.448   6.275
  359   2HB   LEU  46           HB3      LEU  46   2.797   0.487   4.766
  360    HG   LEU  46           HG       LEU  46   2.230   2.974   5.981
  361   1HD1  LEU  46          HD11      LEU  46   4.138   3.942   6.822
  362   2HD1  LEU  46          HD12      LEU  46   4.260   2.334   7.514
  363   3HD1  LEU  46          HD13      LEU  46   5.227   2.722   6.095
  364   1HD2  LEU  46          HD21      LEU  46   2.538   2.440   3.573
  365   2HD2  LEU  46          HD22      LEU  46   3.262   3.938   4.132
  366   3HD2  LEU  46          HD23      LEU  46   4.298   2.518   3.832
  367    H    ARG  47           H        ARG  47   1.951  -0.807   8.584
  368    HA   ARG  47           HA       ARG  47   1.709  -3.375   7.200
  369   1HB   ARG  47           HB2      ARG  47   3.345  -2.860   9.032
  370   2HB   ARG  47           HB3      ARG  47   1.991  -2.774  10.153
  371   1HG   ARG  47           HG2      ARG  47   2.471  -4.949  10.513
  372   2HG   ARG  47           HG3      ARG  47   1.411  -5.203   9.148
  373   1HD   ARG  47           HD2      ARG  47   3.038  -6.262   8.051
  374   2HD   ARG  47           HD3      ARG  47   4.045  -4.836   8.026
  375    HE   ARG  47           HE       ARG  47   4.300  -7.190   9.716
  376   1HH1  ARG  47          HH11      ARG  47   6.610  -5.671  11.955
  377   2HH1  ARG  47          HH12      ARG  47   5.815  -7.179  11.567
  378   1HH2  ARG  47          HH21      ARG  47   6.114  -3.735  10.875
  379   2HH2  ARG  47          HH22      ARG  47   4.928  -3.730   9.600
  380    H    ALA  48           H        ALA  48  -0.117  -1.505   9.681
  381    HA   ALA  48           HA       ALA  48  -1.997  -3.529  10.319
  382   1HB   ALA  48           HB1      ALA  48  -3.318  -1.641  11.262
  383   2HB   ALA  48           HB2      ALA  48  -1.602  -1.560  11.725
  384   3HB   ALA  48           HB3      ALA  48  -2.229  -0.490  10.453
  385    H    GLN  49           H        GLN  49  -2.173  -0.801   8.029
  386    HA   GLN  49           HA       GLN  49  -4.753  -1.568   6.933
  387   1HB   GLN  49           HB2      GLN  49  -2.584   0.483   6.527
  388   2HB   GLN  49           HB3      GLN  49  -3.711   0.223   5.234
  389   1HG   GLN  49           HG2      GLN  49  -4.529   2.026   6.603
  390   2HG   GLN  49           HG3      GLN  49  -5.640   0.653   6.675
  391   1HE2  GLN  49          HE21      GLN  49  -4.169   3.038   8.581
  392   2HE2  GLN  49          HE22      GLN  49  -4.280   2.193  10.115
  393    H    ALA  50           H        ALA  50  -1.638  -2.868   6.529
  394    HA   ALA  50           HA       ALA  50  -1.584  -3.305   3.757
  395   1HB   ALA  50           HB1      ALA  50  -0.555  -5.317   5.794
  396   2HB   ALA  50           HB2      ALA  50  -0.001  -5.046   4.140
  397   3HB   ALA  50           HB3      ALA  50   0.308  -3.820   5.385
  398    H    GLY  51           H        GLY  51  -2.068  -5.267   2.573
  399   1HA   GLY  51           HA1      GLY  51  -3.591  -6.720   1.732
  400   2HA   GLY  51           HA2      GLY  51  -3.514  -7.511   3.310
  401    H    GLY  52           H        GLY  52  -4.849  -4.407   1.987
  402   1HA   GLY  52           HA1      GLY  52  -7.584  -5.096   2.296
  403   2HA   GLY  52           HA2      GLY  52  -7.016  -4.198   3.729
  404    H    ASP  53           H        ASP  53  -8.772  -2.707   2.627
  405    HA   ASP  53           HA       ASP  53  -7.670  -0.999   0.517
  406   1HB   ASP  53           HB2      ASP  53  -9.623   0.262   0.698
  407   2HB   ASP  53           HB3      ASP  53 -10.188  -1.397   0.934
  408    H    ALA  54           H        ALA  54  -6.553   0.878   0.924
  409    HA   ALA  54           HA       ALA  54  -6.751   1.989   3.664
  410   1HB   ALA  54           HB1      ALA  54  -4.598   0.545   3.375
  411   2HB   ALA  54           HB2      ALA  54  -4.000   1.877   2.402
  412   3HB   ALA  54           HB3      ALA  54  -4.461   2.192   4.076
  413    H    THR  55           H        THR  55  -7.899   2.522   1.002
  414    HA   THR  55           HA       THR  55  -6.399   4.647  -0.240
  415    HB   THR  55           HB       THR  55  -9.368   3.992  -0.500
  416    HG1  THR  55           HG1      THR  55  -7.533   2.331  -1.057
  417   1HG2  THR  55          HG21      THR  55  -9.026   5.043  -2.740
  418   2HG2  THR  55          HG22      THR  55  -8.693   6.205  -1.441
  419   3HG2  THR  55          HG23      THR  55  -7.343   5.406  -2.279
  420    H    ALA  56           H        ALA  56  -9.309   4.636   1.859
  421    HA   ALA  56           HA       ALA  56  -9.495   7.439   2.221
  422   1HB   ALA  56           HB1      ALA  56 -10.904   6.880   4.136
  423   2HB   ALA  56           HB2      ALA  56 -11.301   5.869   2.734
  424   3HB   ALA  56           HB3      ALA  56 -10.355   5.189   4.078
  425    H    ASN  57           H        ASN  57  -7.617   4.958   3.922
  426    HA   ASN  57           HA       ASN  57  -6.742   6.576   6.113
  427   1HB   ASN  57           HB2      ASN  57  -6.488   3.873   5.266
  428   2HB   ASN  57           HB3      ASN  57  -4.842   4.473   5.311
  429   1HD2  ASN  57          HD21      ASN  57  -7.811   3.895   7.215
  430   2HD2  ASN  57          HD22      ASN  57  -6.991   3.898   8.764
  431    H    PHE  58           H        PHE  58  -5.189   5.651   3.060
  432    HA   PHE  58           HA       PHE  58  -2.794   7.108   3.185
  433   1HB   PHE  58           HB2      PHE  58  -3.248   5.364   1.559
  434   2HB   PHE  58           HB3      PHE  58  -4.557   6.283   0.844
  435    HD1  PHE  58           HD1      PHE  58  -4.116   8.292  -0.565
  436    HD2  PHE  58           HD2      PHE  58  -0.952   5.819   0.966
  437    HE1  PHE  58           HE1      PHE  58  -2.490   9.444  -2.031
  438    HE2  PHE  58           HE2      PHE  58   0.644   6.880  -0.628
  439    HZ   PHE  58           HZ       PHE  58  -0.126   8.672  -2.138
  440    H    GLU  59           H        GLU  59  -5.945   8.071   1.677
  441    HA   GLU  59           HA       GLU  59  -4.918  10.646   0.948
  442   1HB   GLU  59           HB2      GLU  59  -7.107  11.109   0.095
  443   2HB   GLU  59           HB3      GLU  59  -6.571   9.479  -0.341
  444   1HG   GLU  59           HG2      GLU  59  -8.640   8.860   0.287
  445   2HG   GLU  59           HG3      GLU  59  -7.950   8.917   1.910
  446    H    ALA  60           H        ALA  60  -6.900   9.500   3.686
  447    HA   ALA  60           HA       ALA  60  -7.480  11.891   4.936
  448   1HB   ALA  60           HB1      ALA  60  -6.654   9.227   6.167
  449   2HB   ALA  60           HB2      ALA  60  -7.264  10.600   7.108
  450   3HB   ALA  60           HB3      ALA  60  -8.293   9.844   5.880
  451    H    VAL  61           H        VAL  61  -4.399  10.032   5.269
  452    HA   VAL  61           HA       VAL  61  -3.098  12.131   6.796
  453    HB   VAL  61           HB       VAL  61  -1.956   9.841   5.143
  454   1HG1  VAL  61          HG11      VAL  61  -0.083  10.562   7.080
  455   2HG1  VAL  61          HG12      VAL  61   0.033  10.909   5.349
  456   3HG1  VAL  61          HG13      VAL  61  -0.609  12.126   6.470
  457   1HG2  VAL  61          HG21      VAL  61  -1.602   8.803   7.354
  458   2HG2  VAL  61          HG22      VAL  61  -2.359  10.201   8.147
  459   3HG2  VAL  61          HG23      VAL  61  -3.318   9.135   7.101
  460    H    GLY  62           H        GLY  62  -3.067  11.222   3.317
  461   1HA   GLY  62           HA1      GLY  62  -3.016  12.713   1.522
  462   2HA   GLY  62           HA2      GLY  62  -2.565  14.061   2.577
  463    H    HIS  63           HN       HIS  63  -1.220  13.615   0.173
  464    HA   HIS  63           HA       HIS  63   1.504  12.788   0.829
  465   1HB   HIS  63           HB2      HIS  63  -0.457  11.156  -0.861
  466   2HB   HIS  63           HB3      HIS  63   1.277  11.073  -1.098
  467    HD1  HIS  63           HND      HIS  63  -1.341   9.825   1.467
  468    HD2  HIS  63           HD       HIS  63   2.767   9.838   0.606
  469    HE1  HIS  63           HE       HIS  63  -0.303   8.046   2.935
  470    H    SER  64           H        SER  64   2.927  13.489  -0.879
  471    HA   SER  64           HA       SER  64   1.747  15.616  -2.570
  472   1HB   SER  64           HB2      SER  64   3.702  16.092  -1.043
  473   2HB   SER  64           HB3      SER  64   4.686  15.028  -2.076
  474    HG   SER  64           HG       SER  64   4.877  17.120  -2.859
  475    H    THR  65           H        THR  65   3.250  15.948  -4.625
  476    HA   THR  65           HA       THR  65   2.456  14.117  -6.641
  477    HB   THR  65           HB       THR  65   4.428  15.389  -7.853
  478    HG1  THR  65           HG1      THR  65   5.431  16.883  -6.666
  479   1HG2  THR  65          HG21      THR  65   3.098  17.643  -7.601
  480   2HG2  THR  65          HG22      THR  65   2.298  16.241  -8.335
  481   3HG2  THR  65          HG23      THR  65   1.956  16.677  -6.648
  482    H    ASP  66           H        ASP  66   5.583  14.590  -4.985
  483    HA   ASP  66           HA       ASP  66   7.126  12.627  -6.178
  484   1HB   ASP  66           HB2      ASP  66   7.540  14.325  -4.125
  485   2HB   ASP  66           HB3      ASP  66   7.203  12.905  -3.140
  486    H    ALA  67           H        ALA  67   4.901  12.196  -3.464
  487    HA   ALA  67           HA       ALA  67   5.207   9.317  -3.242
  488   1HB   ALA  67           HB1      ALA  67   2.855   9.556  -2.138
  489   2HB   ALA  67           HB2      ALA  67   4.266  10.234  -1.315
  490   3HB   ALA  67           HB3      ALA  67   3.187  11.298  -2.205
  491    H    ARG  68           H        ARG  68   2.868  11.449  -4.970
  492    HA   ARG  68           HA       ARG  68   1.161   9.440  -5.867
  493   1HB   ARG  68           HB2      ARG  68   1.935  12.000  -7.311
  494   2HB   ARG  68           HB3      ARG  68   0.585  10.986  -7.744
  495   1HG   ARG  68           HG2      ARG  68   0.810  12.215  -4.967
  496   2HG   ARG  68           HG3      ARG  68   0.072  13.057  -6.334
  497   1HD   ARG  68           HD2      ARG  68  -1.548  11.268  -6.595
  498   2HD   ARG  68           HD3      ARG  68  -0.768  10.344  -5.279
  499    HE   ARG  68           HE       ARG  68  -1.538  12.978  -4.405
  500   1HH1  ARG  68          HH11      ARG  68  -4.403  11.898  -2.663
  501   2HH1  ARG  68          HH12      ARG  68  -3.267  13.187  -2.892
  502   1HH2  ARG  68          HH21      ARG  68  -4.131   9.853  -3.891
  503   2HH2  ARG  68          HH22      ARG  68  -2.834   9.763  -5.038
  504    H    GLU  69           H        GLU  69   4.310  10.557  -7.113
  505    HA   GLU  69           HA       GLU  69   4.257   9.084  -9.647
  506   1HB   GLU  69           HB2      GLU  69   5.986  11.030  -8.211
  507   2HB   GLU  69           HB3      GLU  69   6.785  10.031  -9.402
  508   1HG   GLU  69           HG2      GLU  69   4.199  11.393 -10.203
  509   2HG   GLU  69           HG3      GLU  69   5.663  12.369 -10.040
  510    H    LEU  70           H        LEU  70   6.042   8.962  -6.564
  511    HA   LEU  70           HA       LEU  70   7.594   6.728  -7.085
  512   1HB   LEU  70           HB2      LEU  70   7.896   8.308  -5.243
  513   2HB   LEU  70           HB3      LEU  70   6.425   7.692  -4.487
  514    HG   LEU  70           HG       LEU  70   7.388   5.980  -3.496
  515   1HD1  LEU  70          HD11      LEU  70   9.332   4.691  -4.463
  516   2HD1  LEU  70          HD12      LEU  70   7.751   4.655  -5.261
  517   3HD1  LEU  70          HD13      LEU  70   9.074   5.638  -5.949
  518   1HD2  LEU  70          HD21      LEU  70   9.548   6.418  -2.665
  519   2HD2  LEU  70          HD22      LEU  70  10.022   7.329  -4.114
  520   3HD2  LEU  70          HD23      LEU  70   8.832   8.012  -2.979
  521    H    SER  71           H        SER  71   4.497   6.906  -5.465
  522    HA   SER  71           HA       SER  71   3.686   4.310  -5.073
  523   1HB   SER  71           HB2      SER  71   2.343   6.310  -4.564
  524   2HB   SER  71           HB3      SER  71   2.002   6.544  -6.289
  525    HG   SER  71           HG       SER  71   1.378   4.174  -4.875
  526    H    LYS  72           H        LYS  72   3.327   6.010  -8.285
  527    HA   LYS  72           HA       LYS  72   2.486   3.757  -9.739
  528   1HB   LYS  72           HB2      LYS  72   3.799   6.394 -10.323
  529   2HB   LYS  72           HB3      LYS  72   4.006   5.185 -11.569
  530   1HG   LYS  72           HG2      LYS  72   1.283   5.755 -10.350
  531   2HG   LYS  72           HG3      LYS  72   1.992   6.845 -11.551
  532   1HD   LYS  72           HD2      LYS  72   2.378   4.919 -13.101
  533   2HD   LYS  72           HD3      LYS  72   1.579   3.837 -11.946
  534   1HE   LYS  72           HE2      LYS  72  -0.521   5.198 -12.201
  535   2HE   LYS  72           HE3      LYS  72   0.319   6.242 -13.364
  536   1HZ   LYS  72           HZ1      LYS  72  -0.959   4.582 -14.503
  537   2HZ   LYS  72           HZ2      LYS  72   0.635   4.305 -14.768
  538   3HZ   LYS  72           HZ3      LYS  72  -0.194   3.357 -13.713
  539    H    THR  73           H        THR  73   5.851   4.740  -8.941
  540    HA   THR  73           HA       THR  73   7.104   2.623 -10.444
  541    HB   THR  73           HB       THR  73   8.001   4.583  -8.334
  542    HG1  THR  73           HG1      THR  73   8.960   3.901 -10.896
  543   1HG2  THR  73          HG21      THR  73   9.702   2.235  -9.228
  544   2HG2  THR  73          HG22      THR  73  10.277   3.700  -8.402
  545   3HG2  THR  73          HG23      THR  73   9.170   2.606  -7.569
  546    H    PHE  74           H        PHE  74   5.450   2.660  -7.404
  547    HA   PHE  74           HA       PHE  74   6.439  -0.089  -6.741
  548   1HB   PHE  74           HB2      PHE  74   4.785   1.928  -5.183
  549   2HB   PHE  74           HB3      PHE  74   4.975   0.255  -4.679
  550    HD1  PHE  74           HD1      PHE  74   6.123   3.322  -3.808
  551    HD2  PHE  74           HD2      PHE  74   7.545  -0.628  -4.787
  552    HE1  PHE  74           HE1      PHE  74   8.162   3.702  -2.446
  553    HE2  PHE  74           HE2      PHE  74   9.631  -0.191  -3.528
  554    HZ   PHE  74           HZ       PHE  74   9.938   1.977  -2.361
  555    H    ILE  75           H        ILE  75   4.116   1.186  -8.768
  556    HA   ILE  75           HA       ILE  75   1.834  -0.322  -7.934
  557    HB   ILE  75           HB       ILE  75   2.185   1.579  -9.754
  558   1HG1  ILE  75          HG12      ILE  75   0.017  -0.489  -9.531
  559   2HG1  ILE  75          HG13      ILE  75   0.184   1.113  -8.778
  560   1HG2  ILE  75          HG21      ILE  75   1.881  -0.887 -11.502
  561   2HG2  ILE  75          HG22      ILE  75   1.937   0.811 -12.028
  562   3HG2  ILE  75          HG23      ILE  75   3.386   0.064 -11.371
  563   1HD1  ILE  75          HD11      ILE  75   0.102   2.172 -10.986
  564   2HD1  ILE  75          HD12      ILE  75  -0.344   0.581 -11.686
  565   3HD1  ILE  75          HD13      ILE  75  -1.399   1.354 -10.484
  566    H    ILE  76           H        ILE  76   1.417  -2.464  -8.009
  567    HA   ILE  76           HA       ILE  76   3.262  -4.229  -9.614
  568    HB   ILE  76           HB       ILE  76   2.412  -5.997  -8.057
  569   1HG1  ILE  76          HG12      ILE  76   1.589  -3.643  -6.293
  570   2HG1  ILE  76          HG13      ILE  76   0.449  -4.580  -7.253
  571   1HG2  ILE  76          HG21      ILE  76   4.127  -5.557  -6.452
  572   2HG2  ILE  76          HG22      ILE  76   4.663  -4.748  -7.923
  573   3HG2  ILE  76          HG23      ILE  76   3.946  -3.798  -6.611
  574   1HD1  ILE  76          HD11      ILE  76   0.375  -6.157  -5.658
  575   2HD1  ILE  76          HD12      ILE  76   2.131  -6.379  -5.710
  576   3HD1  ILE  76          HD13      ILE  76   1.431  -5.136  -4.656
  577    H    GLY  77           H        GLY  77   0.149  -2.928  -9.637
  578   1HA   GLY  77           HA1      GLY  77  -0.690  -3.774 -12.041
  579   2HA   GLY  77           HA2      GLY  77  -1.204  -5.126 -11.003
  580    H    GLU  78           H        GLU  78  -3.369  -4.746 -10.955
  581    HA   GLU  78           HA       GLU  78  -4.298  -2.304  -9.660
  582   1HB   GLU  78           HB2      GLU  78  -4.825  -3.085 -12.490
  583   2HB   GLU  78           HB3      GLU  78  -6.202  -2.520 -11.551
  584   1HG   GLU  78           HG2      GLU  78  -4.954  -0.501 -10.936
  585   2HG   GLU  78           HG3      GLU  78  -3.619  -0.989 -11.997
  586    H    LEU  79           H        LEU  79  -6.663  -2.524  -9.160
  587    HA   LEU  79           HA       LEU  79  -7.114  -4.945  -7.659
  588   1HB   LEU  79           HB2      LEU  79  -7.997  -2.764  -6.959
  589   2HB   LEU  79           HB3      LEU  79  -8.845  -2.608  -8.499
  590    HG   LEU  79           HG       LEU  79 -10.038  -4.888  -7.694
  591   1HD1  LEU  79          HD11      LEU  79 -10.211  -5.169  -5.360
  592   2HD1  LEU  79          HD12      LEU  79  -8.483  -4.938  -5.637
  593   3HD1  LEU  79          HD13      LEU  79  -9.471  -3.592  -5.030
  594   1HD2  LEU  79          HD21      LEU  79 -10.937  -2.365  -6.368
  595   2HD2  LEU  79          HD22      LEU  79 -10.967  -2.530  -8.149
  596   3HD2  LEU  79          HD23      LEU  79 -11.880  -3.638  -7.165
  597    H    HIS  80           H        HIS  80  -8.204  -6.786  -8.269
  598    HA   HIS  80           HA       HIS  80  -8.742  -7.477 -10.914
  599   1HB   HIS  80           HB2      HIS  80  -8.558  -8.874  -8.747
  600   2HB   HIS  80           HB3      HIS  80 -10.309  -8.690  -8.642
  601    HD1  HIS  80           HD1      HIS  80 -11.606 -10.394 -10.277
  602    HD2  HIS  80           HD2      HIS  80  -7.443 -10.210 -10.783
  603    HE1  HIS  80           HE1      HIS  80 -11.007 -12.237 -11.890
  604    HA   PRO  81           HA       PRO  81 -12.574  -5.551 -11.890
  605   1HB   PRO  81           HB2      PRO  81 -13.356  -6.970 -14.093
  606   2HB   PRO  81           HB3      PRO  81 -12.051  -5.751 -14.078
  607   1HG   PRO  81           HG2      PRO  81 -11.778  -8.756 -13.861
  608   2HG   PRO  81           HG3      PRO  81 -10.827  -7.633 -14.882
  609   1HD   PRO  81           HD2      PRO  81  -9.935  -8.571 -12.518
  610   2HD   PRO  81           HD3      PRO  81  -9.554  -6.910 -13.052
  611    H    ASP  82           H        ASP  82 -12.324  -8.673 -10.609
  612    HA   ASP  82           HA       ASP  82 -15.191  -9.304 -10.582
  613   1HB   ASP  82           HB2      ASP  82 -13.399 -11.062 -10.612
  614   2HB   ASP  82           HB3      ASP  82 -12.928 -10.528  -8.955
  615    H    ASP  83           H        ASP  83 -12.859  -7.517  -8.634
  616    HA   ASP  83           HA       ASP  83 -14.426  -7.572  -6.170
  617   1HB   ASP  83           HB2      ASP  83 -12.013  -7.373  -6.055
  618   2HB   ASP  83           HB3      ASP  83 -12.061  -5.910  -7.068
  619    H    ARG  84           H        ARG  84 -13.682  -5.186  -8.683
  620    HA   ARG  84           HA       ARG  84 -15.192  -3.048  -7.550
  621   1HB   ARG  84           HB2      ARG  84 -14.727  -1.868  -9.600
  622   2HB   ARG  84           HB3      ARG  84 -13.289  -2.785  -9.121
  623   1HG   ARG  84           HG2      ARG  84 -14.128  -4.627 -10.727
  624   2HG   ARG  84           HG3      ARG  84 -15.341  -3.489 -11.277
  625   1HD   ARG  84           HD2      ARG  84 -13.485  -3.445 -12.816
  626   2HD   ARG  84           HD3      ARG  84 -13.662  -1.891 -11.969
  627    HE   ARG  84           HE       ARG  84 -11.762  -3.651 -10.640
  628   1HH1  ARG  84          HH11      ARG  84  -8.959  -1.829 -11.869
  629   2HH1  ARG  84          HH12      ARG  84  -9.437  -3.192 -10.911
  630   1HH2  ARG  84          HH21      ARG  84 -10.475  -0.968 -13.445
  631   2HH2  ARG  84          HH22      ARG  84 -12.141  -1.465 -13.383
  632    HHA  HEM 201           HGM      HEM 201   4.774  10.994   4.877
  633    HHB  HEM 201           HDM      HEM 201   5.623   8.061  -0.807
  634    HHC  HEM 201           HAM      HEM 201   1.016   3.828   0.715
  635    HHD  HEM 201           HBM      HEM 201   0.330   6.607   6.495
  636   1HMA  HEM 201          HM81      HEM 201   7.806   9.780   0.129
  637   2HMA  HEM 201          HM82      HEM 201   6.461  10.231  -0.928
  638   3HMA  HEM 201          HM83      HEM 201   7.163  11.431   0.139
  639   1HAA  HEM 201          HAA1      HEM 201   6.749  11.814   3.701
  640   2HAA  HEM 201          HAA2      HEM 201   6.906  12.392   2.062
  641   1HBA  HEM 201          HBA1      HEM 201   4.108  12.516   3.118
  642   2HBA  HEM 201          HBA2      HEM 201   5.002  13.648   2.117
  643   1HMB  HEM 201          HM11      HEM 201   4.458   5.106  -3.008
  644   2HMB  HEM 201          HM12      HEM 201   4.465   6.878  -2.978
  645   3HMB  HEM 201          HM13      HEM 201   5.747   5.961  -2.161
  646    HAB  HEM 201          HT2A      HEM 201   2.444   3.029  -1.483
  647   1HBB  HEM 201          HV2C      HEM 201   0.976   5.414  -2.641
  648   2HBB  HEM 201          HV2T      HEM 201   0.668   3.585  -2.899
  649   1HMC  HEM 201          HM31      HEM 201  -1.152   2.491   3.565
  650   2HMC  HEM 201          HM32      HEM 201  -1.784   3.544   2.294
  651   3HMC  HEM 201          HM33      HEM 201  -0.348   2.538   1.992
  652    HAC  HEM 201          HT4A      HEM 201  -1.221   3.539   5.874
  653   1HBC  HEM 201          HV4C      HEM 201  -2.086   6.457   5.438
  654   2HBC  HEM 201          HV4T      HEM 201  -2.862   5.189   6.554
  655   1HMD  HEM 201          HM51      HEM 201   1.474   9.368   8.798
  656   2HMD  HEM 201          HM52      HEM 201   0.534   8.005   8.211
  657   3HMD  HEM 201          HM53      HEM 201   2.220   7.771   8.723
  658   1HAD  HEM 201          HAD1      HEM 201   4.048   9.920   8.292
  659   2HAD  HEM 201          HAD2      HEM 201   4.580  11.020   7.051
  660   1HBD  HEM 201          HBD1      HEM 201   3.082  12.601   7.572
  661   2HBD  HEM 201          HBD2      HEM 201   1.803  11.456   7.958
  Start of MODEL   23
    1   1H    ALA   3           H1       ALA   3   2.268  -9.393 -17.660
    2   2H    ALA   3           H2       ALA   3   1.170 -10.140 -18.606
    3   3H    ALA   3           H3       ALA   3   2.554  -9.532 -19.306
    4    HA   ALA   3           HA       ALA   3   1.907  -7.345 -19.007
    5   1HB   ALA   3           HB1      ALA   3  -0.391  -7.168 -19.880
    6   2HB   ALA   3           HB2      ALA   3   0.445  -8.491 -20.705
    7   3HB   ALA   3           HB3      ALA   3  -0.728  -8.848 -19.418
    8    H    VAL   4           H        VAL   4  -0.451  -6.175 -17.974
    9    HA   VAL   4           HA       VAL   4  -0.062  -6.264 -15.154
   10    HB   VAL   4           HB       VAL   4  -1.067  -4.363 -16.325
   11   1HG1  VAL   4          HG11      VAL   4  -3.557  -6.086 -16.733
   12   2HG1  VAL   4          HG12      VAL   4  -3.379  -4.367 -17.111
   13   3HG1  VAL   4          HG13      VAL   4  -2.454  -5.565 -18.024
   14   1HG2  VAL   4          HG21      VAL   4  -2.800  -3.834 -14.725
   15   2HG2  VAL   4          HG22      VAL   4  -3.047  -5.543 -14.331
   16   3HG2  VAL   4          HG23      VAL   4  -1.515  -4.744 -13.909
   17    H    LYS   5           H        LYS   5  -1.222  -7.370 -13.534
   18    HA   LYS   5           HA       LYS   5  -3.304  -9.293 -14.376
   19   1HB   LYS   5           HB2      LYS   5  -0.991 -10.406 -13.993
   20   2HB   LYS   5           HB3      LYS   5  -1.227 -10.026 -12.278
   21   1HG   LYS   5           HG2      LYS   5  -3.420 -11.287 -12.373
   22   2HG   LYS   5           HG3      LYS   5  -3.086 -11.645 -14.082
   23   1HD   LYS   5           HD2      LYS   5  -0.873 -12.700 -13.267
   24   2HD   LYS   5           HD3      LYS   5  -1.555 -12.586 -11.630
   25   1HE   LYS   5           HE2      LYS   5  -3.561 -13.917 -12.459
   26   2HE   LYS   5           HE3      LYS   5  -2.753 -14.080 -14.028
   27   1HZ   LYS   5           HZ1      LYS   5  -2.406 -16.008 -12.705
   28   2HZ   LYS   5           HZ2      LYS   5  -0.963 -15.246 -12.889
   29   3HZ   LYS   5           HZ3      LYS   5  -1.777 -15.143 -11.460
   30    H    TYR   6           H        TYR   6  -5.086  -8.605 -13.329
   31    HA   TYR   6           HA       TYR   6  -4.963  -6.724 -11.128
   32   1HB   TYR   6           HB2      TYR   6  -7.320  -8.367 -12.093
   33   2HB   TYR   6           HB3      TYR   6  -7.308  -6.944 -11.043
   34    HD1  TYR   6           HD1      TYR   6  -6.740  -8.069 -14.570
   35    HD2  TYR   6           HD2      TYR   6  -7.405  -4.744 -11.910
   36    HE1  TYR   6           HE1      TYR   6  -6.764  -6.515 -16.504
   37    HE2  TYR   6           HE2      TYR   6  -7.478  -3.212 -13.843
   38    HH   TYR   6           HH       TYR   6  -6.968  -2.973 -16.052
   39    H    TYR   7           H        TYR   7  -5.759  -7.133  -8.959
   40    HA   TYR   7           HA       TYR   7  -5.471  -9.977  -8.073
   41   1HB   TYR   7           HB2      TYR   7  -4.453  -7.561  -6.568
   42   2HB   TYR   7           HB3      TYR   7  -4.284  -9.253  -6.134
   43    HD1  TYR   7           HD1      TYR   7  -2.910 -10.781  -7.713
   44    HD2  TYR   7           HD2      TYR   7  -2.752  -6.478  -7.823
   45    HE1  TYR   7           HE1      TYR   7  -0.738 -10.890  -8.899
   46    HE2  TYR   7           HE2      TYR   7  -0.616  -6.594  -9.077
   47    HH   TYR   7           HH       TYR   7   1.028  -9.678  -9.767
   48    H    THR   8           H        THR   8  -6.833 -10.597  -6.426
   49    HA   THR   8           HA       THR   8  -9.299  -9.027  -6.134
   50    HB   THR   8           HB       THR   8 -10.165 -11.045  -5.123
   51    HG1  THR   8           HG1      THR   8  -8.143 -12.758  -5.217
   52   1HG2  THR   8          HG21      THR   8  -9.994 -11.148  -7.590
   53   2HG2  THR   8          HG22      THR   8  -8.393 -11.916  -7.459
   54   3HG2  THR   8          HG23      THR   8  -9.830 -12.745  -6.841
   55    H    LEU   9           H        LEU   9 -10.128  -8.427  -4.053
   56    HA   LEU   9           HA       LEU   9  -8.534  -7.493  -2.103
   57   1HB   LEU   9           HB2      LEU   9 -11.321  -7.859  -2.516
   58   2HB   LEU   9           HB3      LEU   9 -11.069  -8.695  -1.114
   59    HG   LEU   9           HG       LEU   9 -10.203  -5.804  -1.641
   60   1HD1  LEU   9          HD11      LEU   9 -12.528  -6.872   0.011
   61   2HD1  LEU   9          HD12      LEU   9 -12.071  -5.163  -0.179
   62   3HD1  LEU   9          HD13      LEU   9 -12.643  -6.085  -1.579
   63   1HD2  LEU   9          HD21      LEU   9  -9.900  -5.640   0.841
   64   2HD2  LEU   9          HD22      LEU   9 -10.155  -7.393   0.967
   65   3HD2  LEU   9          HD23      LEU   9  -8.745  -6.748   0.094
   66    H    GLU  10           H        GLU  10  -9.759 -10.794  -2.404
   67    HA   GLU  10           HA       GLU  10  -8.863 -11.935   0.022
   68   1HB   GLU  10           HB2      GLU  10 -10.437 -12.891  -1.636
   69   2HB   GLU  10           HB3      GLU  10  -9.125 -13.147  -2.747
   70   1HG   GLU  10           HG2      GLU  10  -9.624 -15.254  -1.775
   71   2HG   GLU  10           HG3      GLU  10  -8.014 -14.740  -1.299
   72    H    GLU  11           H        GLU  11  -7.310 -12.115  -3.218
   73    HA   GLU  11           HA       GLU  11  -4.878 -13.269  -2.424
   74   1HB   GLU  11           HB2      GLU  11  -5.817 -11.601  -4.740
   75   2HB   GLU  11           HB3      GLU  11  -4.090 -11.742  -4.487
   76   1HG   GLU  11           HG2      GLU  11  -4.875 -13.484  -6.027
   77   2HG   GLU  11           HG3      GLU  11  -4.184 -14.183  -4.558
   78    H    ILE  12           H        ILE  12  -5.689  -9.783  -2.726
   79    HA   ILE  12           HA       ILE  12  -3.131  -8.870  -1.890
   80    HB   ILE  12           HB       ILE  12  -5.824  -7.481  -1.673
   81   1HG1  ILE  12          HG12      ILE  12  -3.770  -7.102  -3.902
   82   2HG1  ILE  12          HG13      ILE  12  -4.992  -8.334  -4.046
   83   1HG2  ILE  12          HG21      ILE  12  -4.584  -5.388  -1.648
   84   2HG2  ILE  12          HG22      ILE  12  -3.883  -6.396  -0.380
   85   3HG2  ILE  12          HG23      ILE  12  -3.058  -6.233  -1.935
   86   1HD1  ILE  12          HD11      ILE  12  -5.505  -5.367  -3.739
   87   2HD1  ILE  12          HD12      ILE  12  -5.820  -6.377  -5.155
   88   3HD1  ILE  12          HD13      ILE  12  -6.773  -6.619  -3.691
   89    H    GLN  13           H        GLN  13  -6.140  -9.547   0.016
   90    HA   GLN  13           HA       GLN  13  -5.284  -8.718   2.520
   91   1HB   GLN  13           HB2      GLN  13  -7.278 -10.717   1.504
   92   2HB   GLN  13           HB3      GLN  13  -6.825 -10.804   3.182
   93   1HG   GLN  13           HG2      GLN  13  -7.762  -8.226   1.872
   94   2HG   GLN  13           HG3      GLN  13  -8.845  -9.380   2.666
   95   1HE2  GLN  13          HE21      GLN  13  -9.102  -7.033   3.788
   96   2HE2  GLN  13          HE22      GLN  13  -8.182  -6.909   5.279
   97    H    LYS  14           H        LYS  14  -4.588 -11.807   0.855
   98    HA   LYS  14           HA       LYS  14  -3.408 -13.063   3.120
   99   1HB   LYS  14           HB2      LYS  14  -2.542 -13.511   0.250
  100   2HB   LYS  14           HB3      LYS  14  -2.453 -14.638   1.605
  101   1HG   LYS  14           HG2      LYS  14  -5.181 -13.787   1.381
  102   2HG   LYS  14           HG3      LYS  14  -4.613 -14.110  -0.259
  103   1HD   LYS  14           HD2      LYS  14  -4.047 -16.443   0.460
  104   2HD   LYS  14           HD3      LYS  14  -4.605 -16.027   2.110
  105   1HE   LYS  14           HE2      LYS  14  -6.771 -15.156   0.957
  106   2HE   LYS  14           HE3      LYS  14  -6.234 -15.996  -0.501
  107   1HZ   LYS  14           HZ1      LYS  14  -6.566 -18.035   0.629
  108   2HZ   LYS  14           HZ2      LYS  14  -6.747 -17.282   2.106
  109   3HZ   LYS  14           HZ3      LYS  14  -7.857 -17.028   0.929
  110    H    HIS  15           H        HIS  15  -2.216 -10.582   0.975
  111    HA   HIS  15           HA       HIS  15   0.587 -10.771   1.947
  112   1HB   HIS  15           HB2      HIS  15  -0.736  -9.118  -0.224
  113   2HB   HIS  15           HB3      HIS  15   0.928  -8.907   0.329
  114    HD1  HIS  15           HD1      HIS  15   2.374  -9.841  -1.584
  115    HD2  HIS  15           HD2      HIS  15  -1.058 -12.126  -0.795
  116    HE1  HIS  15           HE1      HIS  15   2.486 -11.875  -3.108
  117    H    ASN  16           H        ASN  16  -0.720 -10.430   4.026
  118    HA   ASN  16           HA       ASN  16  -0.809  -7.505   4.705
  119   1HB   ASN  16           HB2      ASN  16  -2.031  -8.118   6.697
  120   2HB   ASN  16           HB3      ASN  16  -2.859  -8.747   5.275
  121   1HD2  ASN  16          HD21      ASN  16  -2.839 -10.998   4.895
  122   2HD2  ASN  16          HD22      ASN  16  -2.219 -12.198   6.002
  123    H    ASN  17           H        ASN  17   1.217 -10.243   4.904
  124    HA   ASN  17           HA       ASN  17   1.848  -9.845   7.754
  125   1HB   ASN  17           HB2      ASN  17   1.025 -12.025   6.772
  126   2HB   ASN  17           HB3      ASN  17   2.618 -12.185   6.013
  127   1HD2  ASN  17          HD21      ASN  17   2.314 -14.257   7.485
  128   2HD2  ASN  17          HD22      ASN  17   2.961 -14.100   9.107
  129    H    SER  18           H        SER  18   4.110 -10.373   8.451
  130    HA   SER  18           HA       SER  18   6.002  -8.540   7.324
  131   1HB   SER  18           HB2      SER  18   5.777  -9.232   9.762
  132   2HB   SER  18           HB3      SER  18   6.584 -10.754   9.326
  133    HG   SER  18           HG       SER  18   8.095  -9.177   9.997
  134    H    LYS  19           H        LYS  19   5.873  -9.356   5.189
  135    HA   LYS  19           HA       LYS  19   8.106 -10.752   4.204
  136   1HB   LYS  19           HB2      LYS  19   5.843 -12.514   4.933
  137   2HB   LYS  19           HB3      LYS  19   6.070 -12.481   3.188
  138   1HG   LYS  19           HG2      LYS  19   8.543 -12.892   3.573
  139   2HG   LYS  19           HG3      LYS  19   8.151 -13.205   5.278
  140   1HD   LYS  19           HD2      LYS  19   6.574 -15.006   4.549
  141   2HD   LYS  19           HD3      LYS  19   6.974 -14.653   2.853
  142   1HE   LYS  19           HE2      LYS  19   9.395 -15.187   3.361
  143   2HE   LYS  19           HE3      LYS  19   8.910 -15.666   4.996
  144   1HZ   LYS  19           HZ1      LYS  19   8.003 -16.921   2.484
  145   2HZ   LYS  19           HZ2      LYS  19   9.096 -17.545   3.539
  146   3HZ   LYS  19           HZ3      LYS  19   7.526 -17.374   3.995
  147    H    SER  20           H        SER  20   4.633  -9.882   3.739
  148    HA   SER  20           HA       SER  20   5.302  -8.408   1.301
  149   1HB   SER  20           HB2      SER  20   3.340 -10.740   1.270
  150   2HB   SER  20           HB3      SER  20   3.715  -9.580  -0.015
  151    HG   SER  20           HG       SER  20   6.030 -10.483   0.606
  152    H    THR  21           H        THR  21   4.590  -6.588   2.329
  153    HA   THR  21           HA       THR  21   1.765  -6.378   3.253
  154    HB   THR  21           HB       THR  21   4.173  -4.526   3.266
  155    HG1  THR  21           HG1      THR  21   3.792  -6.269   4.825
  156   1HG2  THR  21          HG21      THR  21   2.554  -2.909   2.931
  157   2HG2  THR  21          HG22      THR  21   1.267  -3.876   3.645
  158   3HG2  THR  21          HG23      THR  21   2.468  -3.092   4.693
  159    H    TRP  22           H        TRP  22   0.424  -6.465   1.481
  160    HA   TRP  22           HA       TRP  22   0.859  -4.491  -0.696
  161   1HB   TRP  22           HB2      TRP  22  -0.897  -6.970  -0.573
  162   2HB   TRP  22           HB3      TRP  22  -0.891  -5.775  -1.855
  163    HD1  TRP  22           HD1      TRP  22   2.627  -6.387  -1.069
  164    HE1  TRP  22           HE1      TRP  22   3.696  -7.684  -2.870
  165    HE3  TRP  22           HE3      TRP  22  -1.630  -8.020  -3.366
  166    HZ2  TRP  22           HZ2      TRP  22   2.805  -9.431  -5.121
  167    HZ3  TRP  22           HZ3      TRP  22  -1.512  -9.523  -5.300
  168    HH2  TRP  22           HH2      TRP  22   0.709 -10.234  -6.215
  169    H    LEU  23           H        LEU  23  -1.242  -3.484  -1.411
  170    HA   LEU  23           HA       LEU  23  -3.527  -3.437   0.241
  171   1HB   LEU  23           HB2      LEU  23  -3.188  -1.069   1.155
  172   2HB   LEU  23           HB3      LEU  23  -2.340  -2.374   1.942
  173    HG   LEU  23           HG       LEU  23  -0.311  -1.732   0.348
  174   1HD1  LEU  23          HD11      LEU  23  -1.653  -0.058  -0.989
  175   2HD1  LEU  23          HD12      LEU  23  -1.860   0.846   0.534
  176   3HD1  LEU  23          HD13      LEU  23  -0.243   0.642  -0.176
  177   1HD2  LEU  23          HD21      LEU  23   0.433  -0.082   1.970
  178   2HD2  LEU  23          HD22      LEU  23  -1.203  -0.024   2.683
  179   3HD2  LEU  23          HD23      LEU  23  -0.241  -1.523   2.767
  180    H    ILE  24           H        ILE  24  -4.836  -1.350  -0.336
  181    HA   ILE  24           HA       ILE  24  -4.639  -0.953  -3.282
  182    HB   ILE  24           HB       ILE  24  -7.096  -1.337  -1.543
  183   1HG1  ILE  24          HG12      ILE  24  -6.226  -2.927  -3.989
  184   2HG1  ILE  24          HG13      ILE  24  -5.743  -3.386  -2.351
  185   1HG2  ILE  24          HG21      ILE  24  -7.573   0.415  -3.212
  186   2HG2  ILE  24          HG22      ILE  24  -6.842  -0.575  -4.492
  187   3HG2  ILE  24          HG23      ILE  24  -8.361  -1.061  -3.722
  188   1HD1  ILE  24          HD11      ILE  24  -7.739  -4.642  -3.013
  189   2HD1  ILE  24          HD12      ILE  24  -8.087  -3.583  -1.650
  190   3HD1  ILE  24          HD13      ILE  24  -8.644  -3.148  -3.265
  191    H    LEU  25           H        LEU  25  -4.175   1.166  -3.727
  192    HA   LEU  25           HA       LEU  25  -5.548   3.297  -2.144
  193   1HB   LEU  25           HB2      LEU  25  -2.901   3.483  -3.621
  194   2HB   LEU  25           HB3      LEU  25  -3.861   4.779  -2.999
  195    HG   LEU  25           HG       LEU  25  -2.857   4.779  -1.117
  196   1HD1  LEU  25          HD11      LEU  25  -4.457   3.217  -0.249
  197   2HD1  LEU  25          HD12      LEU  25  -3.387   1.858  -0.680
  198   3HD1  LEU  25          HD13      LEU  25  -2.876   3.060   0.518
  199   1HD2  LEU  25          HD21      LEU  25  -0.760   3.544  -0.770
  200   2HD2  LEU  25          HD22      LEU  25  -1.233   2.358  -1.990
  201   3HD2  LEU  25          HD23      LEU  25  -0.918   4.039  -2.461
  202    H    HIS  26           H        HIS  26  -7.361   3.574  -3.397
  203    HA   HIS  26           HA       HIS  26  -8.648   4.189  -5.151
  204   1HB   HIS  26           HB2      HIS  26  -6.131   5.191  -6.517
  205   2HB   HIS  26           HB3      HIS  26  -7.798   5.651  -6.854
  206    HD1  HIS  26           HD1      HIS  26  -8.940   7.366  -5.077
  207    HD2  HIS  26           HD2      HIS  26  -4.921   6.302  -4.460
  208    HE1  HIS  26           HE1      HIS  26  -8.001   9.047  -3.428
  209    H    TYR  27           H        TYR  27  -8.407   1.614  -5.207
  210    HA   TYR  27           HA       TYR  27  -8.630  -0.238  -6.456
  211   1HB   TYR  27           HB2      TYR  27  -8.893   1.590  -8.872
  212   2HB   TYR  27           HB3      TYR  27  -9.445  -0.070  -8.693
  213    HD1  TYR  27           HD1      TYR  27 -10.069   3.443  -7.519
  214    HD2  TYR  27           HD2      TYR  27 -11.634  -0.529  -8.019
  215    HE1  TYR  27           HE1      TYR  27 -12.263   4.196  -6.652
  216    HE2  TYR  27           HE2      TYR  27 -13.812   0.212  -7.113
  217    HH   TYR  27           HH       TYR  27 -15.032   1.971  -6.267
  218    H    LYS  28           H        LYS  28  -5.826   1.183  -6.340
  219    HA   LYS  28           HA       LYS  28  -4.470  -0.366  -8.513
  220   1HB   LYS  28           HB2      LYS  28  -3.726   2.188  -7.089
  221   2HB   LYS  28           HB3      LYS  28  -2.671   1.351  -8.208
  222   1HG   LYS  28           HG2      LYS  28  -5.408   2.025  -9.240
  223   2HG   LYS  28           HG3      LYS  28  -4.415   3.409  -8.791
  224   1HD   LYS  28           HD2      LYS  28  -2.583   2.601 -10.254
  225   2HD   LYS  28           HD3      LYS  28  -3.564   1.190 -10.699
  226   1HE   LYS  28           HE2      LYS  28  -5.361   2.806 -11.521
  227   2HE   LYS  28           HE3      LYS  28  -4.218   4.135 -11.242
  228   1HZ   LYS  28           HZ1      LYS  28  -4.209   3.387 -13.523
  229   2HZ   LYS  28           HZ2      LYS  28  -2.745   3.002 -12.854
  230   3HZ   LYS  28           HZ3      LYS  28  -3.901   1.854 -13.080
  231    H    VAL  29           H        VAL  29  -3.055  -1.943  -7.741
  232    HA   VAL  29           HA       VAL  29  -2.846  -2.239  -4.819
  233    HB   VAL  29           HB       VAL  29  -2.010  -4.236  -6.927
  234   1HG1  VAL  29          HG11      VAL  29  -1.267  -4.500  -4.487
  235   2HG1  VAL  29          HG12      VAL  29  -2.976  -4.607  -4.054
  236   3HG1  VAL  29          HG13      VAL  29  -2.246  -5.829  -5.122
  237   1HG2  VAL  29          HG21      VAL  29  -4.753  -3.842  -5.685
  238   2HG2  VAL  29          HG22      VAL  29  -4.326  -3.801  -7.413
  239   3HG2  VAL  29          HG23      VAL  29  -4.218  -5.316  -6.518
  240    H    TYR  30           H        TYR  30  -0.929  -2.080  -3.768
  241    HA   TYR  30           HA       TYR  30   1.532  -1.453  -5.351
  242   1HB   TYR  30           HB2      TYR  30   0.548  -0.356  -2.698
  243   2HB   TYR  30           HB3      TYR  30   2.112   0.003  -3.408
  244    HD1  TYR  30           HD1      TYR  30  -1.551   0.462  -3.726
  245    HD2  TYR  30           HD2      TYR  30   2.268   1.404  -5.458
  246    HE1  TYR  30           HE1      TYR  30  -2.622   2.097  -5.214
  247    HE2  TYR  30           HE2      TYR  30   1.170   3.120  -6.912
  248    HH   TYR  30           HH       TYR  30  -2.322   3.805  -6.701
  249    H    ASP  31           H        ASP  31   3.278  -2.722  -4.929
  250    HA   ASP  31           HA       ASP  31   3.276  -4.502  -2.504
  251   1HB   ASP  31           HB2      ASP  31   3.588  -5.781  -4.548
  252   2HB   ASP  31           HB3      ASP  31   4.850  -4.660  -5.101
  253    H    LEU  32           H        LEU  32   4.269  -3.366  -0.869
  254    HA   LEU  32           HA       LEU  32   6.691  -1.791  -1.561
  255   1HB   LEU  32           HB2      LEU  32   4.840  -1.416   0.814
  256   2HB   LEU  32           HB3      LEU  32   6.271  -0.517   0.414
  257    HG   LEU  32           HG       LEU  32   4.662  -0.475  -1.955
  258   1HD1  LEU  32          HD11      LEU  32   2.750  -1.177  -0.526
  259   2HD1  LEU  32          HD12      LEU  32   3.039   0.225   0.529
  260   3HD1  LEU  32          HD13      LEU  32   2.545   0.463  -1.157
  261   1HD2  LEU  32          HD21      LEU  32   6.262   1.210  -1.072
  262   2HD2  LEU  32          HD22      LEU  32   4.736   1.867  -1.663
  263   3HD2  LEU  32          HD23      LEU  32   5.015   1.716   0.095
  264    H    THR  33           H        THR  33   5.742  -2.982   1.621
  265    HA   THR  33           HA       THR  33   6.589  -4.309   3.082
  266    HB   THR  33           HB       THR  33   6.164  -5.844   0.891
  267    HG1  THR  33           HG1      THR  33   7.058  -6.685   3.440
  268   1HG2  THR  33          HG21      THR  33   8.904  -6.725   1.895
  269   2HG2  THR  33          HG22      THR  33   7.826  -7.600   0.798
  270   3HG2  THR  33          HG23      THR  33   8.547  -6.080   0.268
  271    H    LYS  34           H        LYS  34   9.220  -3.890   0.674
  272    HA   LYS  34           HA       LYS  34  11.268  -3.930   2.804
  273   1HB   LYS  34           HB2      LYS  34  11.319  -3.368  -0.182
  274   2HB   LYS  34           HB3      LYS  34  12.749  -3.262   0.863
  275   1HG   LYS  34           HG2      LYS  34  12.596  -5.577   1.498
  276   2HG   LYS  34           HG3      LYS  34  11.008  -5.760   0.737
  277   1HD   LYS  34           HD2      LYS  34  11.983  -5.352  -1.484
  278   2HD   LYS  34           HD3      LYS  34  13.598  -5.187  -0.754
  279   1HE   LYS  34           HE2      LYS  34  13.482  -7.510   0.095
  280   2HE   LYS  34           HE3      LYS  34  11.822  -7.678  -0.498
  281   1HZ   LYS  34           HZ1      LYS  34  12.640  -7.449  -2.730
  282   2HZ   LYS  34           HZ2      LYS  34  14.192  -7.283  -2.198
  283   3HZ   LYS  34           HZ3      LYS  34  13.387  -8.699  -1.969
  284    H    PHE  35           H        PHE  35   9.000  -1.702   1.494
  285    HA   PHE  35           HA       PHE  35  10.674   0.690   1.955
  286   1HB   PHE  35           HB2      PHE  35   8.903   0.265   0.018
  287   2HB   PHE  35           HB3      PHE  35   7.757   0.669   1.270
  288    HD1  PHE  35           HD1      PHE  35   6.949   2.870   1.199
  289    HD2  PHE  35           HD2      PHE  35  11.039   2.089   0.064
  290    HE1  PHE  35           HE1      PHE  35   7.288   5.276   0.738
  291    HE2  PHE  35           HE2      PHE  35  11.389   4.498  -0.327
  292    HZ   PHE  35           HZ       PHE  35   9.517   6.106   0.002
  293    H    LEU  36           H        LEU  36   8.990  -1.389   3.991
  294    HA   LEU  36           HA       LEU  36   7.139   0.253   5.315
  295   1HB   LEU  36           HB2      LEU  36   8.859  -2.052   6.302
  296   2HB   LEU  36           HB3      LEU  36   7.532  -1.363   7.243
  297    HG   LEU  36           HG       LEU  36   7.161  -2.509   4.451
  298   1HD1  LEU  36          HD11      LEU  36   6.311  -4.543   5.607
  299   2HD1  LEU  36          HD12      LEU  36   7.983  -4.234   6.115
  300   3HD1  LEU  36          HD13      LEU  36   6.644  -3.800   7.187
  301   1HD2  LEU  36          HD21      LEU  36   4.780  -2.685   5.198
  302   2HD2  LEU  36          HD22      LEU  36   5.197  -1.779   6.667
  303   3HD2  LEU  36          HD23      LEU  36   5.357  -1.023   5.063
  304    H    GLU  37           H        GLU  37  10.499  -0.449   6.406
  305    HA   GLU  37           HA       GLU  37  10.479   1.574   8.426
  306   1HB   GLU  37           HB2      GLU  37  12.765   0.168   7.013
  307   2HB   GLU  37           HB3      GLU  37  12.930   1.171   8.461
  308   1HG   GLU  37           HG2      GLU  37  11.480  -0.326   9.739
  309   2HG   GLU  37           HG3      GLU  37  11.169  -1.330   8.316
  310    H    GLU  38           H        GLU  38  11.408   1.596   5.000
  311    HA   GLU  38           HA       GLU  38  12.819   4.061   4.942
  312   1HB   GLU  38           HB2      GLU  38  11.228   2.641   2.787
  313   2HB   GLU  38           HB3      GLU  38  12.395   3.900   2.497
  314   1HG   GLU  38           HG2      GLU  38  14.090   2.382   3.770
  315   2HG   GLU  38           HG3      GLU  38  12.927   1.078   3.476
  316    H    HIS  39           HN       HIS  39   9.419   3.239   4.528
  317    HA   HIS  39           HA       HIS  39   8.372   5.503   3.398
  318   1HB   HIS  39           HB2      HIS  39   7.084   3.513   3.653
  319   2HB   HIS  39           HB3      HIS  39   7.211   3.576   5.414
  320    HD1  HIS  39           HND      HIS  39   5.072   4.400   6.531
  321    HD2  HIS  39           HD       HIS  39   5.714   5.902   2.637
  322    HE1  HIS  39           HE       HIS  39   3.048   5.778   5.948
  323    HA   PRO  40           HA       PRO  40   9.039   8.301   6.945
  324   1HB   PRO  40           HB2      PRO  40   8.712  10.694   5.731
  325   2HB   PRO  40           HB3      PRO  40  10.113   9.643   5.380
  326   1HG   PRO  40           HG2      PRO  40   7.545   9.853   3.808
  327   2HG   PRO  40           HG3      PRO  40   9.211   9.979   3.172
  328   1HD   PRO  40           HD2      PRO  40   7.759   7.658   3.115
  329   2HD   PRO  40           HD3      PRO  40   9.532   7.643   3.362
  330    H    GLY  41           H        GLY  41   6.922   6.911   7.291
  331   1HA   GLY  41           HA1      GLY  41   4.987   8.712   8.463
  332   2HA   GLY  41           HA2      GLY  41   4.342   7.852   7.049
  333    H    GLY  42           H        GLY  42   6.813   6.435   9.147
  334   1HA   GLY  42           HA1      GLY  42   6.740   4.779  10.714
  335   2HA   GLY  42           HA2      GLY  42   4.975   4.884  10.781
  336    H    GLU  43           H        GLU  43   6.611   2.480  10.755
  337    HA   GLU  43           HA       GLU  43   6.023   1.181   8.177
  338   1HB   GLU  43           HB2      GLU  43   7.007  -0.822   9.364
  339   2HB   GLU  43           HB3      GLU  43   8.079   0.530   8.983
  340   1HG   GLU  43           HG2      GLU  43   8.724  -0.345  11.067
  341   2HG   GLU  43           HG3      GLU  43   8.037   1.243  11.373
  342    H    ALA  44           H        ALA  44   5.064   0.922  11.633
  343    HA   ALA  44           HA       ALA  44   3.240  -1.003  11.560
  344   1HB   ALA  44           HB1      ALA  44   2.964   1.649  13.047
  345   2HB   ALA  44           HB2      ALA  44   2.063   0.164  13.427
  346   3HB   ALA  44           HB3      ALA  44   3.825   0.197  13.606
  347    H    VAL  45           H        VAL  45   2.488   2.393  10.549
  348    HA   VAL  45           HA       VAL  45  -0.252   2.034  10.170
  349    HB   VAL  45           HB       VAL  45  -0.324   3.981   9.036
  350   1HG1  VAL  45          HG11      VAL  45   0.964   5.545  10.292
  351   2HG1  VAL  45          HG12      VAL  45   0.607   4.183  11.371
  352   3HG1  VAL  45          HG13      VAL  45   2.225   4.361  10.642
  353   1HG2  VAL  45          HG21      VAL  45   2.564   3.624   8.234
  354   2HG2  VAL  45          HG22      VAL  45   1.135   3.582   7.169
  355   3HG2  VAL  45          HG23      VAL  45   1.592   5.093   7.949
  356    H    LEU  46           H        LEU  46   2.429   1.401   7.895
  357    HA   LEU  46           HA       LEU  46   0.712   0.565   5.725
  358   1HB   LEU  46           HB2      LEU  46   3.666   0.265   6.365
  359   2HB   LEU  46           HB3      LEU  46   2.948  -0.574   4.991
  360    HG   LEU  46           HG       LEU  46   2.692   2.439   5.329
  361   1HD1  LEU  46          HD11      LEU  46   4.570   2.619   3.727
  362   2HD1  LEU  46          HD12      LEU  46   5.098   1.874   5.249
  363   3HD1  LEU  46          HD13      LEU  46   4.824   0.871   3.804
  364   1HD2  LEU  46          HD21      LEU  46   2.478   0.526   2.952
  365   2HD2  LEU  46          HD22      LEU  46   1.125   1.382   3.724
  366   3HD2  LEU  46          HD23      LEU  46   2.365   2.289   2.848
  367    H    ARG  47           H        ARG  47   2.515  -1.154   8.317
  368    HA   ARG  47           HA       ARG  47   1.853  -3.727   7.205
  369   1HB   ARG  47           HB2      ARG  47   3.545  -2.737   9.291
  370   2HB   ARG  47           HB3      ARG  47   2.483  -3.928  10.039
  371   1HG   ARG  47           HG2      ARG  47   4.021  -4.402   7.444
  372   2HG   ARG  47           HG3      ARG  47   4.681  -4.782   9.032
  373   1HD   ARG  47           HD2      ARG  47   2.029  -5.913   8.032
  374   2HD   ARG  47           HD3      ARG  47   3.575  -6.718   7.761
  375    HE   ARG  47           HE       ARG  47   3.744  -6.345  10.396
  376   1HH1  ARG  47          HH11      ARG  47   1.666  -8.778  11.818
  377   2HH1  ARG  47          HH12      ARG  47   3.056  -7.767  12.044
  378   1HH2  ARG  47          HH21      ARG  47   0.422  -8.640   9.806
  379   2HH2  ARG  47          HH22      ARG  47   0.997  -7.641   8.516
  380    H    ALA  48           H        ALA  48   0.239  -1.593   9.415
  381    HA   ALA  48           HA       ALA  48  -1.712  -3.465  10.427
  382   1HB   ALA  48           HB1      ALA  48  -1.030  -1.470  11.657
  383   2HB   ALA  48           HB2      ALA  48  -1.569  -0.424  10.333
  384   3HB   ALA  48           HB3      ALA  48  -2.763  -1.363  11.266
  385    H    GLN  49           H        GLN  49  -1.838  -0.754   7.984
  386    HA   GLN  49           HA       GLN  49  -4.520  -1.544   7.206
  387   1HB   GLN  49           HB2      GLN  49  -2.510   0.574   6.428
  388   2HB   GLN  49           HB3      GLN  49  -3.827   0.241   5.337
  389   1HG   GLN  49           HG2      GLN  49  -4.329   0.892   8.252
  390   2HG   GLN  49           HG3      GLN  49  -4.237   2.091   6.948
  391   1HE2  GLN  49          HE21      GLN  49  -6.494   2.644   7.561
  392   2HE2  GLN  49          HE22      GLN  49  -7.765   1.663   6.805
  393    H    ALA  50           H        ALA  50  -1.406  -2.649   6.311
  394    HA   ALA  50           HA       ALA  50  -1.561  -3.494   3.754
  395   1HB   ALA  50           HB1      ALA  50  -0.273  -5.425   4.419
  396   2HB   ALA  50           HB2      ALA  50   0.187  -4.135   5.536
  397   3HB   ALA  50           HB3      ALA  50  -0.926  -5.388   6.076
  398    H    GLY  51           H        GLY  51  -2.878  -4.855   2.555
  399   1HA   GLY  51           HA1      GLY  51  -3.973  -7.062   2.731
  400   2HA   GLY  51           HA2      GLY  51  -5.062  -6.395   3.964
  401    H    GLY  52           H        GLY  52  -5.262  -3.757   2.609
  402   1HA   GLY  52           HA1      GLY  52  -5.802  -3.119   0.275
  403   2HA   GLY  52           HA2      GLY  52  -6.798  -4.549   0.127
  404    H    ASP  53           H        ASP  53  -6.599  -1.898   2.600
  405    HA   ASP  53           HA       ASP  53  -8.702  -0.550   1.237
  406   1HB   ASP  53           HB2      ASP  53 -10.204  -2.036   2.531
  407   2HB   ASP  53           HB3      ASP  53  -9.427  -1.511   4.036
  408    H    ALA  54           H        ALA  54  -6.522   0.593   1.221
  409    HA   ALA  54           HA       ALA  54  -6.166   2.211   3.735
  410   1HB   ALA  54           HB1      ALA  54  -3.865   2.399   3.169
  411   2HB   ALA  54           HB2      ALA  54  -4.291   0.665   3.264
  412   3HB   ALA  54           HB3      ALA  54  -4.085   1.427   1.686
  413    H    THR  55           H        THR  55  -7.654   2.455   0.828
  414    HA   THR  55           HA       THR  55  -6.353   4.688  -0.389
  415    HB   THR  55           HB       THR  55  -9.288   3.846  -0.465
  416    HG1  THR  55           HG1      THR  55  -7.404   2.386  -1.214
  417   1HG2  THR  55          HG21      THR  55  -9.251   5.028  -2.673
  418   2HG2  THR  55          HG22      THR  55  -8.987   6.144  -1.323
  419   3HG2  THR  55          HG23      THR  55  -7.611   5.613  -2.306
  420    H    ALA  56           H        ALA  56  -9.152   4.516   1.855
  421    HA   ALA  56           HA       ALA  56  -9.483   7.308   2.205
  422   1HB   ALA  56           HB1      ALA  56 -11.154   5.629   2.925
  423   2HB   ALA  56           HB2      ALA  56 -10.031   5.015   4.158
  424   3HB   ALA  56           HB3      ALA  56 -10.677   6.665   4.284
  425    H    ASN  57           H        ASN  57  -7.516   4.951   4.043
  426    HA   ASN  57           HA       ASN  57  -6.607   6.729   6.015
  427   1HB   ASN  57           HB2      ASN  57  -6.381   4.095   5.673
  428   2HB   ASN  57           HB3      ASN  57  -4.789   4.512   5.041
  429   1HD2  ASN  57          HD21      ASN  57  -4.052   6.701   6.759
  430   2HD2  ASN  57          HD22      ASN  57  -3.975   6.050   8.387
  431    H    PHE  58           H        PHE  58  -5.056   5.740   2.967
  432    HA   PHE  58           HA       PHE  58  -2.728   7.278   3.003
  433   1HB   PHE  58           HB2      PHE  58  -3.264   5.460   1.436
  434   2HB   PHE  58           HB3      PHE  58  -4.494   6.447   0.665
  435    HD1  PHE  58           HD1      PHE  58  -0.896   5.857   1.070
  436    HD2  PHE  58           HD2      PHE  58  -3.884   8.241  -0.916
  437    HE1  PHE  58           HE1      PHE  58   0.781   6.551  -0.636
  438    HE2  PHE  58           HE2      PHE  58  -2.249   8.785  -2.685
  439    HZ   PHE  58           HZ       PHE  58   0.096   7.983  -2.534
  440    H    GLU  59           H        GLU  59  -5.945   8.132   1.577
  441    HA   GLU  59           HA       GLU  59  -5.141  10.762   0.796
  442   1HB   GLU  59           HB2      GLU  59  -7.852   9.502   1.275
  443   2HB   GLU  59           HB3      GLU  59  -7.624  11.111   0.568
  444   1HG   GLU  59           HG2      GLU  59  -6.381   8.593  -0.640
  445   2HG   GLU  59           HG3      GLU  59  -7.953   9.244  -1.089
  446    H    ALA  60           H        ALA  60  -6.762   9.521   3.708
  447    HA   ALA  60           HA       ALA  60  -7.464  11.957   4.898
  448   1HB   ALA  60           HB1      ALA  60  -7.446  10.681   7.031
  449   2HB   ALA  60           HB2      ALA  60  -8.268   9.804   5.728
  450   3HB   ALA  60           HB3      ALA  60  -6.628   9.333   6.214
  451    H    VAL  61           H        VAL  61  -4.405  10.067   5.287
  452    HA   VAL  61           HA       VAL  61  -3.189  12.211   6.852
  453    HB   VAL  61           HB       VAL  61  -1.133  10.998   6.681
  454   1HG1  VAL  61          HG11      VAL  61  -3.493   9.127   7.178
  455   2HG1  VAL  61          HG12      VAL  61  -1.841   8.905   7.763
  456   3HG1  VAL  61          HG13      VAL  61  -2.798  10.279   8.337
  457   1HG2  VAL  61          HG21      VAL  61  -1.106  10.204   4.402
  458   2HG2  VAL  61          HG22      VAL  61  -1.012   8.825   5.496
  459   3HG2  VAL  61          HG23      VAL  61  -2.531   9.182   4.689
  460    H    GLY  62           H        GLY  62  -3.190  11.285   3.391
  461   1HA   GLY  62           HA1      GLY  62  -3.071  12.813   1.648
  462   2HA   GLY  62           HA2      GLY  62  -2.361  14.053   2.693
  463    H    HIS  63           HN       HIS  63  -1.378  13.239   0.130
  464    HA   HIS  63           HA       HIS  63   1.335  12.283   0.693
  465   1HB   HIS  63           HB2      HIS  63  -0.767  10.710  -0.843
  466   2HB   HIS  63           HB3      HIS  63   0.946  10.553  -1.213
  467    HD1  HIS  63           HND      HIS  63  -1.518   9.611   1.613
  468    HD2  HIS  63           HD       HIS  63   2.548   9.409   0.551
  469    HE1  HIS  63           HE       HIS  63  -0.421   7.991   3.228
  470    H    SER  64           H        SER  64   2.646  13.504  -0.526
  471    HA   SER  64           HA       SER  64   1.493  15.473  -2.349
  472   1HB   SER  64           HB2      SER  64   3.282  15.947  -0.584
  473   2HB   SER  64           HB3      SER  64   4.412  15.036  -1.592
  474    HG   SER  64           HG       SER  64   3.151  17.505  -2.089
  475    H    THR  65           H        THR  65   2.931  16.002  -4.384
  476    HA   THR  65           HA       THR  65   2.281  14.107  -6.272
  477    HB   THR  65           HB       THR  65   4.570  16.048  -6.661
  478    HG1  THR  65           HG1      THR  65   2.933  17.648  -6.899
  479   1HG2  THR  65          HG21      THR  65   3.517  16.373  -8.868
  480   2HG2  THR  65          HG22      THR  65   3.860  14.656  -8.597
  481   3HG2  THR  65          HG23      THR  65   2.201  15.265  -8.423
  482    H    ASP  66           H        ASP  66   5.461  14.688  -4.748
  483    HA   ASP  66           HA       ASP  66   7.088  12.817  -6.083
  484   1HB   ASP  66           HB2      ASP  66   7.729  14.450  -4.228
  485   2HB   ASP  66           HB3      ASP  66   6.952  13.413  -3.054
  486    H    ALA  67           H        ALA  67   5.044  12.380  -3.251
  487    HA   ALA  67           HA       ALA  67   5.448   9.542  -3.004
  488   1HB   ALA  67           HB1      ALA  67   3.049  11.126  -2.023
  489   2HB   ALA  67           HB2      ALA  67   3.561   9.513  -1.510
  490   3HB   ALA  67           HB3      ALA  67   4.578  10.926  -1.157
  491    H    ARG  68           H        ARG  68   2.943  11.470  -4.679
  492    HA   ARG  68           HA       ARG  68   1.283   9.341  -5.544
  493   1HB   ARG  68           HB2      ARG  68   1.816  11.975  -6.953
  494   2HB   ARG  68           HB3      ARG  68   0.464  10.906  -7.255
  495   1HG   ARG  68           HG2      ARG  68   0.918  12.129  -4.513
  496   2HG   ARG  68           HG3      ARG  68   0.045  12.977  -5.789
  497   1HD   ARG  68           HD2      ARG  68  -1.624  11.260  -5.863
  498   2HD   ARG  68           HD3      ARG  68  -0.700  10.223  -4.745
  499    HE   ARG  68           HE       ARG  68  -0.978  12.577  -3.339
  500   1HH1  ARG  68          HH11      ARG  68  -3.948  11.749  -1.701
  501   2HH1  ARG  68          HH12      ARG  68  -2.560  12.869  -1.705
  502   1HH2  ARG  68          HH21      ARG  68  -4.350  10.384  -3.269
  503   2HH2  ARG  68          HH22      ARG  68  -3.327  10.205  -4.706
  504    H    GLU  69           H        GLU  69   4.374  10.616  -6.808
  505    HA   GLU  69           HA       GLU  69   4.249   9.009  -9.241
  506   1HB   GLU  69           HB2      GLU  69   6.018  11.036  -7.972
  507   2HB   GLU  69           HB3      GLU  69   6.770   9.994  -9.160
  508   1HG   GLU  69           HG2      GLU  69   4.170  11.542  -9.628
  509   2HG   GLU  69           HG3      GLU  69   5.774  12.124 -10.070
  510    H    LEU  70           H        LEU  70   6.262   9.066  -6.320
  511    HA   LEU  70           HA       LEU  70   7.797   6.876  -6.635
  512   1HB   LEU  70           HB2      LEU  70   7.873   8.585  -4.845
  513   2HB   LEU  70           HB3      LEU  70   6.470   7.818  -4.103
  514    HG   LEU  70           HG       LEU  70   7.665   6.421  -2.940
  515   1HD1  LEU  70          HD11      LEU  70   7.972   4.898  -4.622
  516   2HD1  LEU  70          HD12      LEU  70   9.298   5.819  -5.395
  517   3HD1  LEU  70          HD13      LEU  70   9.539   5.046  -3.810
  518   1HD2  LEU  70          HD21      LEU  70   8.970   8.477  -2.632
  519   2HD2  LEU  70          HD22      LEU  70   9.971   7.023  -2.460
  520   3HD2  LEU  70          HD23      LEU  70  10.059   7.986  -3.952
  521    H    SER  71           H        SER  71   4.646   6.884  -5.011
  522    HA   SER  71           HA       SER  71   4.028   4.208  -4.670
  523   1HB   SER  71           HB2      SER  71   1.678   4.832  -5.067
  524   2HB   SER  71           HB3      SER  71   2.557   5.963  -4.009
  525    HG   SER  71           HG       SER  71   2.721   7.398  -5.629
  526    H    LYS  72           H        LYS  72   3.943   5.864  -7.880
  527    HA   LYS  72           HA       LYS  72   2.765   3.681  -9.258
  528   1HB   LYS  72           HB2      LYS  72   4.681   5.716 -10.424
  529   2HB   LYS  72           HB3      LYS  72   3.608   4.627 -11.282
  530   1HG   LYS  72           HG2      LYS  72   1.639   5.751  -9.995
  531   2HG   LYS  72           HG3      LYS  72   2.845   6.857  -9.363
  532   1HD   LYS  72           HD2      LYS  72   2.016   8.124 -11.040
  533   2HD   LYS  72           HD3      LYS  72   3.434   7.452 -11.809
  534   1HE   LYS  72           HE2      LYS  72   0.525   6.497 -12.107
  535   2HE   LYS  72           HE3      LYS  72   1.439   7.442 -13.291
  536   1HZ   LYS  72           HZ1      LYS  72   2.031   4.689 -12.454
  537   2HZ   LYS  72           HZ2      LYS  72   1.426   5.155 -13.911
  538   3HZ   LYS  72           HZ3      LYS  72   2.960   5.576 -13.483
  539    H    THR  73           H        THR  73   6.125   4.309  -8.270
  540    HA   THR  73           HA       THR  73   7.334   2.250  -9.875
  541    HB   THR  73           HB       THR  73   8.327   3.640  -7.344
  542    HG1  THR  73           HG1      THR  73   8.551   4.276 -10.100
  543   1HG2  THR  73          HG21      THR  73   9.758   1.781  -7.717
  544   2HG2  THR  73          HG22      THR  73   9.822   2.083  -9.473
  545   3HG2  THR  73          HG23      THR  73  10.580   3.217  -8.330
  546    H    PHE  74           H        PHE  74   5.271   2.054  -7.148
  547    HA   PHE  74           HA       PHE  74   6.317  -0.655  -6.412
  548   1HB   PHE  74           HB2      PHE  74   4.717   1.376  -4.806
  549   2HB   PHE  74           HB3      PHE  74   4.992  -0.293  -4.328
  550    HD1  PHE  74           HD1      PHE  74   6.215   2.980  -3.850
  551    HD2  PHE  74           HD2      PHE  74   7.531  -1.098  -4.367
  552    HE1  PHE  74           HE1      PHE  74   8.255   3.449  -2.505
  553    HE2  PHE  74           HE2      PHE  74   9.629  -0.571  -3.168
  554    HZ   PHE  74           HZ       PHE  74  10.011   1.715  -2.279
  555    H    ILE  75           H        ILE  75   4.122   0.878  -8.395
  556    HA   ILE  75           HA       ILE  75   1.749  -0.534  -7.585
  557    HB   ILE  75           HB       ILE  75   2.166   1.639  -9.038
  558   1HG1  ILE  75          HG12      ILE  75   0.039   0.834  -8.066
  559   2HG1  ILE  75          HG13      ILE  75  -0.092   1.739  -9.573
  560   1HG2  ILE  75          HG21      ILE  75   3.166   0.502 -11.009
  561   2HG2  ILE  75          HG22      ILE  75   1.692  -0.433 -11.225
  562   3HG2  ILE  75          HG23      ILE  75   1.656   1.332 -11.413
  563   1HD1  ILE  75          HD11      ILE  75  -1.576  -0.222  -9.448
  564   2HD1  ILE  75          HD12      ILE  75  -0.478  -0.290 -10.836
  565   3HD1  ILE  75          HD13      ILE  75  -0.134  -1.256  -9.379
  566    H    ILE  76           H        ILE  76   1.150  -2.578  -8.074
  567    HA   ILE  76           HA       ILE  76   2.907  -4.165  -9.942
  568    HB   ILE  76           HB       ILE  76   1.991  -6.122  -8.635
  569   1HG1  ILE  76          HG12      ILE  76   1.342  -4.025  -6.503
  570   2HG1  ILE  76          HG13      ILE  76   0.111  -4.726  -7.554
  571   1HG2  ILE  76          HG21      ILE  76   4.289  -5.165  -8.447
  572   2HG2  ILE  76          HG22      ILE  76   3.725  -4.106  -7.142
  573   3HG2  ILE  76          HG23      ILE  76   3.735  -5.874  -6.939
  574   1HD1  ILE  76          HD11      ILE  76   0.455  -6.909  -6.691
  575   2HD1  ILE  76          HD12      ILE  76   1.912  -6.418  -5.816
  576   3HD1  ILE  76          HD13      ILE  76   0.339  -5.792  -5.318
  577    H    GLY  77           H        GLY  77  -0.460  -3.262  -9.215
  578   1HA   GLY  77           HA1      GLY  77  -1.415  -3.769 -11.786
  579   2HA   GLY  77           HA2      GLY  77  -1.734  -5.232 -10.814
  580    H    GLU  78           H        GLU  78  -3.992  -4.643 -11.045
  581    HA   GLU  78           HA       GLU  78  -4.902  -2.290  -9.462
  582   1HB   GLU  78           HB2      GLU  78  -5.473  -3.137 -12.307
  583   2HB   GLU  78           HB3      GLU  78  -6.664  -2.202 -11.397
  584   1HG   GLU  78           HG2      GLU  78  -5.118  -0.413 -11.036
  585   2HG   GLU  78           HG3      GLU  78  -3.774  -1.327 -11.757
  586    H    LEU  79           H        LEU  79  -7.242  -2.388  -9.014
  587    HA   LEU  79           HA       LEU  79  -7.714  -4.778  -7.550
  588   1HB   LEU  79           HB2      LEU  79  -8.493  -2.497  -6.911
  589   2HB   LEU  79           HB3      LEU  79  -9.617  -2.507  -8.282
  590    HG   LEU  79           HG       LEU  79 -10.724  -4.562  -7.296
  591   1HD1  LEU  79          HD11      LEU  79  -9.298  -5.685  -5.910
  592   2HD1  LEU  79          HD12      LEU  79  -8.469  -4.209  -5.352
  593   3HD1  LEU  79          HD13      LEU  79 -10.040  -4.653  -4.672
  594   1HD2  LEU  79          HD21      LEU  79 -11.649  -2.426  -6.954
  595   2HD2  LEU  79          HD22      LEU  79 -11.827  -3.375  -5.480
  596   3HD2  LEU  79          HD23      LEU  79 -10.574  -2.095  -5.566
  597    H    HIS  80           H        HIS  80  -8.745  -6.580  -8.118
  598    HA   HIS  80           HA       HIS  80  -9.325  -7.335 -10.684
  599   1HB   HIS  80           HB2      HIS  80  -9.103  -8.697  -8.590
  600   2HB   HIS  80           HB3      HIS  80 -10.820  -8.424  -8.283
  601    HD1  HIS  80           HD1      HIS  80 -12.356 -10.163  -9.582
  602    HD2  HIS  80           HD2      HIS  80  -8.324 -10.100 -10.761
  603    HE1  HIS  80           HE1      HIS  80 -12.048 -12.110 -11.182
  604    HA   PRO  81           HA       PRO  81 -13.085  -5.322 -11.855
  605   1HB   PRO  81           HB2      PRO  81 -13.938  -6.942 -13.903
  606   2HB   PRO  81           HB3      PRO  81 -12.594  -5.771 -14.027
  607   1HG   PRO  81           HG2      PRO  81 -12.397  -8.738 -13.441
  608   2HG   PRO  81           HG3      PRO  81 -11.466  -7.795 -14.647
  609   1HD   PRO  81           HD2      PRO  81 -10.436  -8.389 -12.268
  610   2HD   PRO  81           HD3      PRO  81 -10.176  -6.756 -12.940
  611    H    ASP  82           H        ASP  82 -12.968  -8.402 -10.352
  612    HA   ASP  82           HA       ASP  82 -15.925  -8.608 -10.207
  613   1HB   ASP  82           HB2      ASP  82 -14.266 -10.593 -10.667
  614   2HB   ASP  82           HB3      ASP  82 -14.016 -10.533  -8.891
  615    H    ASP  83           H        ASP  83 -13.346  -7.111  -8.442
  616    HA   ASP  83           HA       ASP  83 -14.349  -7.827  -5.773
  617   1HB   ASP  83           HB2      ASP  83 -12.102  -8.097  -6.037
  618   2HB   ASP  83           HB3      ASP  83 -11.884  -6.574  -6.959
  619    H    ARG  84           H        ARG  84 -13.919  -4.924  -7.827
  620    HA   ARG  84           HA       ARG  84 -15.014  -3.093  -5.943
  621   1HB   ARG  84           HB2      ARG  84 -15.176  -1.519  -7.637
  622   2HB   ARG  84           HB3      ARG  84 -13.700  -2.430  -7.994
  623   1HG   ARG  84           HG2      ARG  84 -16.386  -2.887  -9.394
  624   2HG   ARG  84           HG3      ARG  84 -15.196  -1.722  -9.923
  625   1HD   ARG  84           HD2      ARG  84 -14.783  -4.726  -9.633
  626   2HD   ARG  84           HD3      ARG  84 -15.032  -3.906 -11.145
  627    HE   ARG  84           HE       ARG  84 -12.550  -4.226  -9.751
  628   1HH1  ARG  84          HH11      ARG  84 -10.793  -1.950 -11.840
  629   2HH1  ARG  84          HH12      ARG  84 -10.631  -3.280 -10.740
  630   1HH2  ARG  84          HH21      ARG  84 -12.957  -1.216 -12.495
  631   2HH2  ARG  84          HH22      ARG  84 -14.338  -1.962 -11.747
  632    HHA  HEM 201           HGM      HEM 201   4.225  11.126   5.004
  633    HHB  HEM 201           HDM      HEM 201   5.704   7.926  -0.409
  634    HHC  HEM 201           HAM      HEM 201   1.090   3.640   0.904
  635    HHD  HEM 201           HBM      HEM 201  -0.054   6.540   6.565
  636   1HMA  HEM 201          HM81      HEM 201   7.790  10.235   0.833
  637   2HMA  HEM 201          HM82      HEM 201   6.681   9.896  -0.505
  638   3HMA  HEM 201          HM83      HEM 201   6.658  11.476   0.257
  639   1HAA  HEM 201          HAA1      HEM 201   6.078  12.081   3.994
  640   2HAA  HEM 201          HAA2      HEM 201   6.671  12.367   2.368
  641   1HBA  HEM 201          HBA1      HEM 201   4.933  14.009   3.266
  642   2HBA  HEM 201          HBA2      HEM 201   3.731  12.728   3.084
  643   1HMB  HEM 201          HM11      HEM 201   6.076   5.602  -1.594
  644   2HMB  HEM 201          HM12      HEM 201   4.816   4.855  -2.574
  645   3HMB  HEM 201          HM13      HEM 201   4.952   6.621  -2.520
  646    HAB  HEM 201          HT2A      HEM 201   2.755   2.728  -1.094
  647   1HBB  HEM 201          HV2C      HEM 201   1.289   4.970  -2.446
  648   2HBB  HEM 201          HV2T      HEM 201   1.354   3.157  -2.898
  649   1HMC  HEM 201          HM31      HEM 201  -0.480   2.488   1.958
  650   2HMC  HEM 201          HM32      HEM 201  -1.138   2.265   3.587
  651   3HMC  HEM 201          HM33      HEM 201  -1.923   3.390   2.471
  652    HAC  HEM 201          HT4A      HEM 201  -2.235   5.308   5.620
  653   1HBC  HEM 201          HV4C      HEM 201  -0.879   2.595   6.038
  654   2HBC  HEM 201          HV4T      HEM 201  -2.178   3.397   7.111
  655   1HMD  HEM 201          HM51      HEM 201   0.471   9.548   8.582
  656   2HMD  HEM 201          HM52      HEM 201   0.179   7.821   8.316
  657   3HMD  HEM 201          HM53      HEM 201   1.709   8.358   9.010
  658   1HAD  HEM 201          HAD1      HEM 201   3.103  10.359   8.492
  659   2HAD  HEM 201          HAD2      HEM 201   3.891  11.235   7.206
  660   1HBD  HEM 201          HBD1      HEM 201   2.223  12.773   7.040
  661   2HBD  HEM 201          HBD2      HEM 201   0.962  11.625   7.487
  Start of MODEL   24
    1   1H    ALA   3           H1       ALA   3   1.599  -5.337 -20.040
    2   2H    ALA   3           H2       ALA   3   2.555  -6.647 -19.808
    3   3H    ALA   3           H3       ALA   3   1.917  -6.347 -21.311
    4    HA   ALA   3           HA       ALA   3  -0.277  -6.782 -20.527
    5   1HB   ALA   3           HB1      ALA   3   1.703  -8.936 -19.645
    6   2HB   ALA   3           HB2      ALA   3  -0.039  -9.172 -19.880
    7   3HB   ALA   3           HB3      ALA   3   0.993  -8.764 -21.265
    8    H    VAL   4           H        VAL   4  -1.627  -6.317 -18.807
    9    HA   VAL   4           HA       VAL   4  -0.360  -5.986 -16.142
   10    HB   VAL   4           HB       VAL   4  -1.295  -3.965 -17.165
   11   1HG1  VAL   4          HG11      VAL   4  -3.172  -4.749 -18.478
   12   2HG1  VAL   4          HG12      VAL   4  -3.979  -5.414 -17.039
   13   3HG1  VAL   4          HG13      VAL   4  -3.782  -3.665 -17.218
   14   1HG2  VAL   4          HG21      VAL   4  -2.331  -3.142 -15.221
   15   2HG2  VAL   4          HG22      VAL   4  -2.964  -4.730 -14.754
   16   3HG2  VAL   4          HG23      VAL   4  -1.218  -4.397 -14.661
   17    H    LYS   5           H        LYS   5  -1.552  -6.754 -14.309
   18    HA   LYS   5           HA       LYS   5  -3.656  -8.736 -14.786
   19   1HB   LYS   5           HB2      LYS   5  -2.649 -10.305 -13.225
   20   2HB   LYS   5           HB3      LYS   5  -1.689 -10.164 -14.691
   21   1HG   LYS   5           HG2      LYS   5  -0.989  -8.451 -12.281
   22   2HG   LYS   5           HG3      LYS   5  -0.622 -10.166 -12.222
   23   1HD   LYS   5           HD2      LYS   5   0.317  -8.402 -14.520
   24   2HD   LYS   5           HD3      LYS   5   1.223  -8.571 -13.011
   25   1HE   LYS   5           HE2      LYS   5   1.385 -11.016 -13.328
   26   2HE   LYS   5           HE3      LYS   5   0.407 -10.925 -14.798
   27   1HZ   LYS   5           HZ1      LYS   5   2.135  -9.553 -15.773
   28   2HZ   LYS   5           HZ2      LYS   5   3.064  -9.722 -14.422
   29   3HZ   LYS   5           HZ3      LYS   5   2.697 -11.038 -15.337
   30    H    TYR   6           H        TYR   6  -4.721  -9.195 -12.640
   31    HA   TYR   6           HA       TYR   6  -4.606  -6.797 -10.946
   32   1HB   TYR   6           HB2      TYR   6  -7.063  -8.385 -11.753
   33   2HB   TYR   6           HB3      TYR   6  -6.940  -6.870 -10.847
   34    HD1  TYR   6           HD1      TYR   6  -6.436  -8.394 -14.228
   35    HD2  TYR   6           HD2      TYR   6  -7.182  -4.808 -11.979
   36    HE1  TYR   6           HE1      TYR   6  -6.570  -7.109 -16.333
   37    HE2  TYR   6           HE2      TYR   6  -7.356  -3.514 -14.093
   38    HH   TYR   6           HH       TYR   6  -6.734  -5.007 -17.276
   39    H    TYR   7           H        TYR   7  -5.336  -7.227  -8.734
   40    HA   TYR   7           HA       TYR   7  -5.120 -10.104  -7.922
   41   1HB   TYR   7           HB2      TYR   7  -4.049  -7.736  -6.380
   42   2HB   TYR   7           HB3      TYR   7  -3.835  -9.447  -6.021
   43    HD1  TYR   7           HD1      TYR   7  -2.195  -6.622  -7.299
   44    HD2  TYR   7           HD2      TYR   7  -2.759 -10.809  -8.160
   45    HE1  TYR   7           HE1      TYR   7  -0.210  -6.589  -8.770
   46    HE2  TYR   7           HE2      TYR   7  -0.764 -10.774  -9.611
   47    HH   TYR   7           HH       TYR   7   1.022  -9.518 -10.369
   48    H    THR   8           H        THR   8  -6.745 -10.803  -6.585
   49    HA   THR   8           HA       THR   8  -9.063  -9.090  -6.129
   50    HB   THR   8           HB       THR   8  -9.771 -11.215  -4.863
   51    HG1  THR   8           HG1      THR   8  -7.363 -11.654  -4.663
   52   1HG2  THR   8          HG21      THR   8  -9.966 -12.654  -6.861
   53   2HG2  THR   8          HG22      THR   8 -10.405 -10.979  -7.224
   54   3HG2  THR   8          HG23      THR   8  -8.817 -11.625  -7.731
   55    H    LEU   9           H        LEU   9  -9.847  -8.505  -4.027
   56    HA   LEU   9           HA       LEU   9  -8.057  -7.478  -2.199
   57   1HB   LEU   9           HB2      LEU   9 -10.790  -7.603  -2.471
   58   2HB   LEU   9           HB3      LEU   9 -10.589  -8.515  -1.005
   59    HG   LEU   9           HG       LEU   9  -9.314  -5.777  -1.460
   60   1HD1  LEU   9          HD11      LEU   9 -11.389  -4.940  -1.439
   61   2HD1  LEU   9          HD12      LEU   9 -12.118  -6.421  -0.794
   62   3HD1  LEU   9          HD13      LEU   9 -11.350  -5.255   0.301
   63   1HD2  LEU   9          HD21      LEU   9  -8.429  -7.314   0.423
   64   2HD2  LEU   9          HD22      LEU   9  -8.911  -5.678   0.863
   65   3HD2  LEU   9          HD23      LEU   9  -9.991  -7.038   1.217
   66    H    GLU  10           H        GLU  10  -9.547 -10.713  -2.185
   67    HA   GLU  10           HA       GLU  10  -8.502 -11.749   0.148
   68   1HB   GLU  10           HB2      GLU  10 -10.086 -12.839  -1.502
   69   2HB   GLU  10           HB3      GLU  10  -8.677 -13.343  -2.428
   70   1HG   GLU  10           HG2      GLU  10  -9.312 -15.166  -0.974
   71   2HG   GLU  10           HG3      GLU  10  -7.785 -14.514  -0.383
   72    H    GLU  11           H        GLU  11  -6.930 -12.336  -3.026
   73    HA   GLU  11           HA       GLU  11  -4.539 -13.326  -2.022
   74   1HB   GLU  11           HB2      GLU  11  -5.467 -12.442  -4.634
   75   2HB   GLU  11           HB3      GLU  11  -3.848 -11.802  -4.364
   76   1HG   GLU  11           HG2      GLU  11  -3.725 -13.962  -5.449
   77   2HG   GLU  11           HG3      GLU  11  -3.038 -14.085  -3.824
   78    H    ILE  12           H        ILE  12  -5.341  -9.886  -2.636
   79    HA   ILE  12           HA       ILE  12  -2.788  -8.880  -1.831
   80    HB   ILE  12           HB       ILE  12  -5.524  -7.578  -1.663
   81   1HG1  ILE  12          HG12      ILE  12  -3.473  -7.250  -3.904
   82   2HG1  ILE  12          HG13      ILE  12  -4.735  -8.459  -3.998
   83   1HG2  ILE  12          HG21      ILE  12  -4.495  -5.470  -1.507
   84   2HG2  ILE  12          HG22      ILE  12  -3.484  -6.433  -0.430
   85   3HG2  ILE  12          HG23      ILE  12  -2.931  -6.071  -2.064
   86   1HD1  ILE  12          HD11      ILE  12  -6.475  -6.780  -3.773
   87   2HD1  ILE  12          HD12      ILE  12  -5.238  -5.499  -3.668
   88   3HD1  ILE  12          HD13      ILE  12  -5.435  -6.431  -5.152
   89    H    GLN  13           H        GLN  13  -5.716  -9.727   0.012
   90    HA   GLN  13           HA       GLN  13  -4.932  -8.849   2.600
   91   1HB   GLN  13           HB2      GLN  13  -7.090 -10.488   1.442
   92   2HB   GLN  13           HB3      GLN  13  -6.611 -11.013   3.030
   93   1HG   GLN  13           HG2      GLN  13  -7.124  -8.066   2.516
   94   2HG   GLN  13           HG3      GLN  13  -8.482  -9.178   2.648
   95   1HE2  GLN  13          HE21      GLN  13  -7.119  -6.965   4.536
   96   2HE2  GLN  13          HE22      GLN  13  -7.190  -7.805   6.074
   97    H    LYS  14           H        LYS  14  -4.302 -11.909   0.850
   98    HA   LYS  14           HA       LYS  14  -2.982 -13.136   3.095
   99   1HB   LYS  14           HB2      LYS  14  -2.699 -13.538   0.088
  100   2HB   LYS  14           HB3      LYS  14  -1.723 -14.405   1.264
  101   1HG   LYS  14           HG2      LYS  14  -4.330 -14.630   2.293
  102   2HG   LYS  14           HG3      LYS  14  -4.600 -14.727   0.571
  103   1HD   LYS  14           HD2      LYS  14  -2.413 -16.412   1.905
  104   2HD   LYS  14           HD3      LYS  14  -4.111 -16.835   2.099
  105   1HE   LYS  14           HE2      LYS  14  -4.192 -16.636  -0.563
  106   2HE   LYS  14           HE3      LYS  14  -2.444 -16.860  -0.438
  107   1HZ   LYS  14           HZ1      LYS  14  -4.525 -18.643   0.653
  108   2HZ   LYS  14           HZ2      LYS  14  -3.655 -18.917  -0.711
  109   3HZ   LYS  14           HZ3      LYS  14  -2.902 -18.919   0.758
  110    H    HIS  15           H        HIS  15  -2.025 -10.334   1.326
  111    HA   HIS  15           HA       HIS  15   0.798 -10.651   2.255
  112   1HB   HIS  15           HB2      HIS  15  -0.407  -8.864   0.119
  113   2HB   HIS  15           HB3      HIS  15   1.243  -8.773   0.715
  114    HD1  HIS  15           HD1      HIS  15   2.566  -9.549  -1.365
  115    HD2  HIS  15           HD2      HIS  15  -0.711 -12.016  -0.428
  116    HE1  HIS  15           HE1      HIS  15   2.687 -11.571  -2.917
  117    H    ASN  16           H        ASN  16  -0.396 -10.320   4.406
  118    HA   ASN  16           HA       ASN  16   0.303  -7.587   5.197
  119   1HB   ASN  16           HB2      ASN  16  -1.806  -7.103   6.353
  120   2HB   ASN  16           HB3      ASN  16  -2.043  -7.284   4.609
  121   1HD2  ASN  16          HD21      ASN  16  -4.341  -7.520   5.318
  122   2HD2  ASN  16          HD22      ASN  16  -4.840  -9.188   5.593
  123    H    ASN  17           H        ASN  17   1.565 -10.053   5.771
  124    HA   ASN  17           HA       ASN  17   0.530 -10.846   8.464
  125   1HB   ASN  17           HB2      ASN  17   1.342 -12.418   6.362
  126   2HB   ASN  17           HB3      ASN  17   2.764 -12.471   7.403
  127   1HD2  ASN  17          HD21      ASN  17   2.289 -13.022   9.834
  128   2HD2  ASN  17          HD22      ASN  17   0.982 -14.168  10.070
  129    H    SER  18           H        SER  18   3.824 -10.459   7.084
  130    HA   SER  18           HA       SER  18   4.699  -8.985   9.524
  131   1HB   SER  18           HB2      SER  18   6.744 -10.433   9.546
  132   2HB   SER  18           HB3      SER  18   5.264 -11.303   9.989
  133    HG   SER  18           HG       SER  18   6.558 -12.452   8.443
  134    H    LYS  19           H        LYS  19   6.080 -10.464   6.644
  135    HA   LYS  19           HA       LYS  19   7.256  -7.878   5.742
  136   1HB   LYS  19           HB2      LYS  19   7.585 -10.758   4.788
  137   2HB   LYS  19           HB3      LYS  19   8.193  -9.347   3.909
  138   1HG   LYS  19           HG2      LYS  19   8.995  -8.827   6.539
  139   2HG   LYS  19           HG3      LYS  19   9.161 -10.574   6.453
  140   1HD   LYS  19           HD2      LYS  19  10.859 -10.465   4.873
  141   2HD   LYS  19           HD3      LYS  19  10.303  -8.933   4.174
  142   1HE   LYS  19           HE2      LYS  19  11.257  -7.583   5.735
  143   2HE   LYS  19           HE3      LYS  19  11.223  -8.783   7.032
  144   1HZ   LYS  19           HZ1      LYS  19  13.184  -9.555   6.481
  145   2HZ   LYS  19           HZ2      LYS  19  12.953  -9.467   4.853
  146   3HZ   LYS  19           HZ3      LYS  19  13.396  -8.125   5.702
  147    H    SER  20           H        SER  20   5.641 -10.385   3.698
  148    HA   SER  20           HA       SER  20   4.780  -8.832   1.701
  149   1HB   SER  20           HB2      SER  20   3.113 -10.984   3.025
  150   2HB   SER  20           HB3      SER  20   2.977 -10.383   1.356
  151    HG   SER  20           HG       SER  20   4.312 -12.158   1.295
  152    H    THR  21           H        THR  21   4.088  -6.802   1.854
  153    HA   THR  21           HA       THR  21   1.561  -6.197   3.344
  154    HB   THR  21           HB       THR  21   4.177  -4.668   3.402
  155    HG1  THR  21           HG1      THR  21   2.906  -6.386   5.010
  156   1HG2  THR  21          HG21      THR  21   3.016  -2.757   3.509
  157   2HG2  THR  21          HG22      THR  21   1.461  -3.590   3.477
  158   3HG2  THR  21          HG23      THR  21   2.305  -3.354   5.015
  159    H    TRP  22           H        TRP  22   0.337  -6.300   1.527
  160    HA   TRP  22           HA       TRP  22   0.853  -4.249  -0.597
  161   1HB   TRP  22           HB2      TRP  22  -0.771  -6.823  -0.619
  162   2HB   TRP  22           HB3      TRP  22  -0.775  -5.598  -1.874
  163    HD1  TRP  22           HD1      TRP  22   2.748  -5.958  -0.960
  164    HE1  TRP  22           HE1      TRP  22   3.964  -7.227  -2.736
  165    HE3  TRP  22           HE3      TRP  22  -1.306  -7.953  -3.312
  166    HZ2  TRP  22           HZ2      TRP  22   3.255  -8.956  -5.023
  167    HZ3  TRP  22           HZ3      TRP  22  -1.041  -9.477  -5.205
  168    HH2  TRP  22           HH2      TRP  22   1.247  -9.916  -6.159
  169    H    LEU  23           H        LEU  23  -1.348  -3.410  -1.433
  170    HA   LEU  23           HA       LEU  23  -3.570  -3.327   0.323
  171   1HB   LEU  23           HB2      LEU  23  -3.215  -0.853   0.961
  172   2HB   LEU  23           HB3      LEU  23  -2.421  -2.102   1.867
  173    HG   LEU  23           HG       LEU  23  -0.304  -1.711   0.416
  174   1HD1  LEU  23          HD11      LEU  23  -0.302   0.728  -0.430
  175   2HD1  LEU  23          HD12      LEU  23  -1.156  -0.464  -1.433
  176   3HD1  LEU  23          HD13      LEU  23  -2.056   0.607  -0.345
  177   1HD2  LEU  23          HD21      LEU  23  -0.408  -1.040   2.703
  178   2HD2  LEU  23          HD22      LEU  23   0.299   0.264   1.725
  179   3HD2  LEU  23          HD23      LEU  23  -1.393   0.384   2.291
  180    H    ILE  24           H        ILE  24  -5.012  -1.362  -0.400
  181    HA   ILE  24           HA       ILE  24  -4.727  -1.043  -3.337
  182    HB   ILE  24           HB       ILE  24  -7.215  -1.626  -1.742
  183   1HG1  ILE  24          HG12      ILE  24  -6.195  -2.946  -4.282
  184   2HG1  ILE  24          HG13      ILE  24  -5.564  -3.457  -2.713
  185   1HG2  ILE  24          HG21      ILE  24  -7.890   0.111  -3.257
  186   2HG2  ILE  24          HG22      ILE  24  -6.845  -0.516  -4.552
  187   3HG2  ILE  24          HG23      ILE  24  -8.313  -1.384  -4.088
  188   1HD1  ILE  24          HD11      ILE  24  -7.688  -4.188  -1.955
  189   2HD1  ILE  24          HD12      ILE  24  -8.550  -3.390  -3.248
  190   3HD1  ILE  24          HD13      ILE  24  -7.531  -4.811  -3.571
  191    H    LEU  25           H        LEU  25  -4.323   0.950  -3.823
  192    HA   LEU  25           HA       LEU  25  -5.535   3.255  -2.314
  193   1HB   LEU  25           HB2      LEU  25  -2.789   2.815  -3.448
  194   2HB   LEU  25           HB3      LEU  25  -3.489   4.427  -3.380
  195    HG   LEU  25           HG       LEU  25  -3.159   4.734  -1.269
  196   1HD1  LEU  25          HD11      LEU  25  -4.616   3.219  -0.379
  197   2HD1  LEU  25          HD12      LEU  25  -3.632   1.828  -0.812
  198   3HD1  LEU  25          HD13      LEU  25  -3.098   2.935   0.477
  199   1HD2  LEU  25          HD21      LEU  25  -1.013   3.726  -0.537
  200   2HD2  LEU  25          HD22      LEU  25  -1.136   2.524  -1.828
  201   3HD2  LEU  25          HD23      LEU  25  -0.959   4.246  -2.223
  202    H    HIS  26           H        HIS  26  -7.348   3.335  -3.584
  203    HA   HIS  26           HA       HIS  26  -8.603   4.045  -5.312
  204   1HB   HIS  26           HB2      HIS  26  -6.118   4.954  -6.793
  205   2HB   HIS  26           HB3      HIS  26  -7.777   5.498  -6.996
  206    HD1  HIS  26           HD1      HIS  26  -8.647   7.322  -5.197
  207    HD2  HIS  26           HD2      HIS  26  -4.720   5.902  -4.728
  208    HE1  HIS  26           HE1      HIS  26  -7.505   8.889  -3.557
  209    H    TYR  27           H        TYR  27  -8.424   1.444  -5.314
  210    HA   TYR  27           HA       TYR  27  -8.729  -0.418  -6.552
  211   1HB   TYR  27           HB2      TYR  27  -8.905   1.429  -8.967
  212   2HB   TYR  27           HB3      TYR  27  -9.529  -0.198  -8.814
  213    HD1  TYR  27           HD1      TYR  27 -10.013   3.333  -7.661
  214    HD2  TYR  27           HD2      TYR  27 -11.725  -0.599  -8.007
  215    HE1  TYR  27           HE1      TYR  27 -12.133   4.163  -6.697
  216    HE2  TYR  27           HE2      TYR  27 -13.841   0.227  -7.068
  217    HH   TYR  27           HH       TYR  27 -14.980   2.052  -6.253
  218    H    LYS  28           H        LYS  28  -5.914   0.791  -6.295
  219    HA   LYS  28           HA       LYS  28  -4.537  -0.726  -8.460
  220   1HB   LYS  28           HB2      LYS  28  -3.941   2.006  -7.287
  221   2HB   LYS  28           HB3      LYS  28  -2.804   1.089  -8.254
  222   1HG   LYS  28           HG2      LYS  28  -5.187   1.105  -9.774
  223   2HG   LYS  28           HG3      LYS  28  -5.154   2.689  -8.981
  224   1HD   LYS  28           HD2      LYS  28  -2.720   2.886  -9.791
  225   2HD   LYS  28           HD3      LYS  28  -3.049   1.431 -10.763
  226   1HE   LYS  28           HE2      LYS  28  -5.264   3.037 -11.332
  227   2HE   LYS  28           HE3      LYS  28  -4.000   4.253 -11.115
  228   1HZ   LYS  28           HZ1      LYS  28  -4.184   3.467 -13.409
  229   2HZ   LYS  28           HZ2      LYS  28  -2.727   2.936 -12.806
  230   3HZ   LYS  28           HZ3      LYS  28  -3.988   1.923 -12.928
  231    H    VAL  29           H        VAL  29  -2.831  -1.993  -7.763
  232    HA   VAL  29           HA       VAL  29  -2.599  -2.214  -4.819
  233    HB   VAL  29           HB       VAL  29  -1.715  -4.250  -6.856
  234   1HG1  VAL  29          HG11      VAL  29  -0.885  -4.390  -4.434
  235   2HG1  VAL  29          HG12      VAL  29  -2.575  -4.507  -3.930
  236   3HG1  VAL  29          HG13      VAL  29  -1.867  -5.773  -4.948
  237   1HG2  VAL  29          HG21      VAL  29  -4.416  -3.995  -5.469
  238   2HG2  VAL  29          HG22      VAL  29  -4.124  -3.847  -7.213
  239   3HG2  VAL  29          HG23      VAL  29  -3.867  -5.392  -6.416
  240    H    TYR  30           H        TYR  30  -0.715  -1.881  -3.794
  241    HA   TYR  30           HA       TYR  30   1.715  -1.150  -5.388
  242   1HB   TYR  30           HB2      TYR  30   0.615   0.049  -2.818
  243   2HB   TYR  30           HB3      TYR  30   2.138   0.484  -3.563
  244    HD1  TYR  30           HD1      TYR  30  -1.565   0.611  -3.909
  245    HD2  TYR  30           HD2      TYR  30   2.164   1.704  -5.702
  246    HE1  TYR  30           HE1      TYR  30  -2.749   2.063  -5.511
  247    HE2  TYR  30           HE2      TYR  30   0.924   3.219  -7.288
  248    HH   TYR  30           HH       TYR  30  -1.036   4.337  -7.631
  249    H    ASP  31           H        ASP  31   3.370  -2.566  -4.973
  250    HA   ASP  31           HA       ASP  31   3.307  -4.142  -2.456
  251   1HB   ASP  31           HB2      ASP  31   4.136  -5.417  -4.357
  252   2HB   ASP  31           HB3      ASP  31   5.326  -4.148  -4.725
  253    H    LEU  32           H        LEU  32   4.262  -3.370  -0.692
  254    HA   LEU  32           HA       LEU  32   6.588  -1.571  -0.962
  255   1HB   LEU  32           HB2      LEU  32   4.553  -1.102   1.158
  256   2HB   LEU  32           HB3      LEU  32   5.778  -0.021   0.647
  257    HG   LEU  32           HG       LEU  32   3.757  -0.559  -1.520
  258   1HD1  LEU  32          HD11      LEU  32   1.938   0.458  -0.514
  259   2HD1  LEU  32          HD12      LEU  32   2.463  -0.782   0.588
  260   3HD1  LEU  32          HD13      LEU  32   2.908   0.900   0.932
  261   1HD2  LEU  32          HD21      LEU  32   5.682   1.056  -1.563
  262   2HD2  LEU  32          HD22      LEU  32   4.107   1.687  -2.029
  263   3HD2  LEU  32          HD23      LEU  32   4.776   2.057  -0.412
  264    H    THR  33           H        THR  33   5.945  -4.530  -0.371
  265    HA   THR  33           HA       THR  33   6.192  -5.063   2.382
  266    HB   THR  33           HB       THR  33   5.619  -6.665   0.561
  267    HG1  THR  33           HG1      THR  33   6.802  -8.398   1.571
  268   1HG2  THR  33          HG21      THR  33   7.576  -6.162  -0.972
  269   2HG2  THR  33          HG22      THR  33   8.582  -7.103   0.152
  270   3HG2  THR  33          HG23      THR  33   7.186  -7.859  -0.654
  271    H    LYS  34           H        LYS  34   8.632  -4.365  -0.036
  272    HA   LYS  34           HA       LYS  34  10.805  -4.655   1.973
  273   1HB   LYS  34           HB2      LYS  34  10.642  -5.388  -0.739
  274   2HB   LYS  34           HB3      LYS  34  11.627  -3.922  -0.761
  275   1HG   LYS  34           HG2      LYS  34  12.974  -4.965   1.158
  276   2HG   LYS  34           HG3      LYS  34  12.030  -6.453   0.882
  277   1HD   LYS  34           HD2      LYS  34  12.840  -6.371  -1.542
  278   2HD   LYS  34           HD3      LYS  34  13.882  -5.021  -1.066
  279   1HE   LYS  34           HE2      LYS  34  14.358  -7.049   0.889
  280   2HE   LYS  34           HE3      LYS  34  14.207  -7.938  -0.629
  281   1HZ   LYS  34           HZ1      LYS  34  16.037  -5.676  -0.131
  282   2HZ   LYS  34           HZ2      LYS  34  16.462  -7.263  -0.145
  283   3HZ   LYS  34           HZ3      LYS  34  15.946  -6.543  -1.531
  284    H    PHE  35           H        PHE  35   8.701  -2.438   1.841
  285    HA   PHE  35           HA       PHE  35  10.622  -0.190   1.943
  286   1HB   PHE  35           HB2      PHE  35   8.845  -0.505  -0.118
  287   2HB   PHE  35           HB3      PHE  35   7.852   0.302   1.030
  288    HD1  PHE  35           HD1      PHE  35   7.695   2.632   0.723
  289    HD2  PHE  35           HD2      PHE  35  11.465   0.663  -0.059
  290    HE1  PHE  35           HE1      PHE  35   8.732   4.812   0.158
  291    HE2  PHE  35           HE2      PHE  35  12.488   2.829  -0.585
  292    HZ   PHE  35           HZ       PHE  35  11.120   4.914  -0.537
  293    H    LEU  36           H        LEU  36   9.032  -2.087   3.892
  294    HA   LEU  36           HA       LEU  36   7.069  -0.470   5.155
  295   1HB   LEU  36           HB2      LEU  36   8.756  -2.794   6.191
  296   2HB   LEU  36           HB3      LEU  36   7.366  -2.121   7.045
  297    HG   LEU  36           HG       LEU  36   7.184  -3.208   4.218
  298   1HD1  LEU  36          HD11      LEU  36   6.431  -4.666   6.766
  299   2HD1  LEU  36          HD12      LEU  36   6.308  -5.224   5.096
  300   3HD1  LEU  36          HD13      LEU  36   7.901  -4.973   5.819
  301   1HD2  LEU  36          HD21      LEU  36   4.713  -3.374   5.541
  302   2HD2  LEU  36          HD22      LEU  36   5.335  -1.795   6.009
  303   3HD2  LEU  36          HD23      LEU  36   5.184  -2.204   4.290
  304    H    GLU  37           H        GLU  37  10.378  -1.245   6.264
  305    HA   GLU  37           HA       GLU  37  10.400   0.762   8.330
  306   1HB   GLU  37           HB2      GLU  37  12.168  -1.375   7.428
  307   2HB   GLU  37           HB3      GLU  37  13.071   0.137   7.451
  308   1HG   GLU  37           HG2      GLU  37  12.084   0.477   9.833
  309   2HG   GLU  37           HG3      GLU  37  11.663  -1.241   9.753
  310    H    GLU  38           H        GLU  38  11.271   0.678   4.894
  311    HA   GLU  38           HA       GLU  38  12.873   3.029   4.845
  312   1HB   GLU  38           HB2      GLU  38  11.240   1.723   2.664
  313   2HB   GLU  38           HB3      GLU  38  12.466   2.928   2.406
  314   1HG   GLU  38           HG2      GLU  38  13.737   0.898   3.978
  315   2HG   GLU  38           HG3      GLU  38  12.837   0.063   2.703
  316    H    HIS  39           HN       HIS  39   9.401   2.436   4.206
  317    HA   HIS  39           HA       HIS  39   8.672   4.959   3.243
  318   1HB   HIS  39           HB2      HIS  39   7.160   3.159   3.055
  319   2HB   HIS  39           HB3      HIS  39   7.160   2.900   4.799
  320    HD1  HIS  39           HND      HIS  39   5.211   3.863   6.055
  321    HD2  HIS  39           HD       HIS  39   5.870   5.716   2.336
  322    HE1  HIS  39           HE       HIS  39   3.287   5.438   5.702
  323    HA   PRO  40           HA       PRO  40   9.569   6.978   7.212
  324   1HB   PRO  40           HB2      PRO  40   9.750   9.566   6.372
  325   2HB   PRO  40           HB3      PRO  40  10.999   8.332   6.053
  326   1HG   PRO  40           HG2      PRO  40   8.894   9.368   4.163
  327   2HG   PRO  40           HG3      PRO  40  10.603   8.951   3.832
  328   1HD   PRO  40           HD2      PRO  40   8.388   7.297   3.351
  329   2HD   PRO  40           HD3      PRO  40  10.076   6.744   3.495
  330    H    GLY  41           H        GLY  41   7.436   6.122   7.680
  331   1HA   GLY  41           HA1      GLY  41   5.607   8.254   8.464
  332   2HA   GLY  41           HA2      GLY  41   4.943   7.132   7.247
  333    H    GLY  42           H        GLY  42   6.187   4.737   8.161
  334   1HA   GLY  42           HA1      GLY  42   6.382   3.924  10.638
  335   2HA   GLY  42           HA2      GLY  42   4.640   4.183  10.642
  336    H    GLU  43           H        GLU  43   6.756   1.827  10.408
  337    HA   GLU  43           HA       GLU  43   5.951   0.312   8.068
  338   1HB   GLU  43           HB2      GLU  43   7.164  -1.486   9.083
  339   2HB   GLU  43           HB3      GLU  43   8.145  -0.026   9.112
  340   1HG   GLU  43           HG2      GLU  43   6.688  -1.185  11.543
  341   2HG   GLU  43           HG3      GLU  43   8.373  -1.463  11.119
  342    H    ALA  44           H        ALA  44   5.142   0.485  11.519
  343    HA   ALA  44           HA       ALA  44   3.229  -1.610  11.601
  344   1HB   ALA  44           HB1      ALA  44   3.951  -0.675  13.672
  345   2HB   ALA  44           HB2      ALA  44   3.454   0.969  13.206
  346   3HB   ALA  44           HB3      ALA  44   2.228  -0.275  13.535
  347    H    VAL  45           H        VAL  45   2.525   1.935  11.062
  348    HA   VAL  45           HA       VAL  45  -0.208   1.421  10.486
  349    HB   VAL  45           HB       VAL  45   0.510   3.660  11.011
  350   1HG1  VAL  45          HG11      VAL  45   2.646   3.758   9.831
  351   2HG1  VAL  45          HG12      VAL  45   1.819   3.765   8.254
  352   3HG1  VAL  45          HG13      VAL  45   1.610   5.112   9.386
  353   1HG2  VAL  45          HG21      VAL  45  -1.604   3.362   9.809
  354   2HG2  VAL  45          HG22      VAL  45  -0.810   4.857   9.282
  355   3HG2  VAL  45          HG23      VAL  45  -0.760   3.422   8.252
  356    H    LEU  46           H        LEU  46   2.690   1.533   8.168
  357    HA   LEU  46           HA       LEU  46   1.037   0.998   5.980
  358   1HB   LEU  46           HB2      LEU  46   3.895   0.880   6.540
  359   2HB   LEU  46           HB3      LEU  46   3.429  -0.502   5.549
  360    HG   LEU  46           HG       LEU  46   2.721   2.382   4.903
  361   1HD1  LEU  46          HD11      LEU  46   4.463   2.253   3.203
  362   2HD1  LEU  46          HD12      LEU  46   5.172   1.829   4.781
  363   3HD1  LEU  46          HD13      LEU  46   4.809   0.559   3.609
  364   1HD2  LEU  46          HD21      LEU  46   2.589  -0.085   3.110
  365   2HD2  LEU  46          HD22      LEU  46   1.169   0.551   3.937
  366   3HD2  LEU  46          HD23      LEU  46   2.003   1.571   2.775
  367    H    ARG  47           H        ARG  47   2.037  -1.229   8.542
  368    HA   ARG  47           HA       ARG  47   1.311  -3.606   7.052
  369   1HB   ARG  47           HB2      ARG  47   2.691  -3.040   9.502
  370   2HB   ARG  47           HB3      ARG  47   1.258  -3.934   9.956
  371   1HG   ARG  47           HG2      ARG  47   2.403  -5.784   9.479
  372   2HG   ARG  47           HG3      ARG  47   2.092  -5.440   7.790
  373   1HD   ARG  47           HD2      ARG  47   4.349  -5.563   7.613
  374   2HD   ARG  47           HD3      ARG  47   4.283  -3.875   8.126
  375    HE   ARG  47           HE       ARG  47   4.392  -6.035  10.182
  376   1HH1  ARG  47          HH11      ARG  47   7.580  -5.191  11.347
  377   2HH1  ARG  47          HH12      ARG  47   6.179  -6.184  11.593
  378   1HH2  ARG  47          HH21      ARG  47   7.633  -3.661   9.552
  379   2HH2  ARG  47          HH22      ARG  47   6.262  -3.581   8.485
  380    H    ALA  48           H        ALA  48  -0.183  -1.647   9.637
  381    HA   ALA  48           HA       ALA  48  -2.461  -3.322   9.997
  382   1HB   ALA  48           HB1      ALA  48  -2.148  -0.337  10.498
  383   2HB   ALA  48           HB2      ALA  48  -3.343  -1.428  11.259
  384   3HB   ALA  48           HB3      ALA  48  -1.602  -1.622  11.593
  385    H    GLN  49           H        GLN  49  -1.838  -0.526   7.845
  386    HA   GLN  49           HA       GLN  49  -4.496  -0.641   6.625
  387   1HB   GLN  49           HB2      GLN  49  -1.859   0.798   6.108
  388   2HB   GLN  49           HB3      GLN  49  -3.253   1.002   5.075
  389   1HG   GLN  49           HG2      GLN  49  -3.194   1.651   8.056
  390   2HG   GLN  49           HG3      GLN  49  -3.200   2.805   6.723
  391   1HE2  GLN  49          HE21      GLN  49  -5.256   1.044   8.843
  392   2HE2  GLN  49          HE22      GLN  49  -6.743   1.426   7.990
  393    H    ALA  50           H        ALA  50  -1.733  -2.627   6.367
  394    HA   ALA  50           HA       ALA  50  -1.847  -3.131   3.570
  395   1HB   ALA  50           HB1      ALA  50  -0.539  -5.052   3.950
  396   2HB   ALA  50           HB2      ALA  50   0.015  -3.827   5.113
  397   3HB   ALA  50           HB3      ALA  50  -1.018  -5.156   5.644
  398    H    GLY  51           H        GLY  51  -2.890  -4.857   2.500
  399   1HA   GLY  51           HA1      GLY  51  -4.067  -6.977   2.943
  400   2HA   GLY  51           HA2      GLY  51  -5.283  -6.062   3.864
  401    H    GLY  52           H        GLY  52  -5.346  -3.734   2.203
  402   1HA   GLY  52           HA1      GLY  52  -5.684  -3.562  -0.346
  403   2HA   GLY  52           HA2      GLY  52  -6.803  -4.894  -0.144
  404    H    ASP  53           H        ASP  53  -6.412  -1.999   2.003
  405    HA   ASP  53           HA       ASP  53  -8.603  -0.627   0.804
  406   1HB   ASP  53           HB2      ASP  53  -9.864  -2.509   2.010
  407   2HB   ASP  53           HB3      ASP  53  -9.268  -1.840   3.527
  408    H    ALA  54           H        ALA  54  -6.751   0.846   0.905
  409    HA   ALA  54           HA       ALA  54  -6.716   2.301   3.517
  410   1HB   ALA  54           HB1      ALA  54  -4.814   0.765   3.548
  411   2HB   ALA  54           HB2      ALA  54  -4.223   1.418   2.006
  412   3HB   ALA  54           HB3      ALA  54  -4.283   2.466   3.447
  413    H    THR  55           H        THR  55  -7.823   2.667   0.686
  414    HA   THR  55           HA       THR  55  -6.254   4.696  -0.602
  415    HB   THR  55           HB       THR  55  -9.252   4.130  -0.769
  416    HG1  THR  55           HG1      THR  55  -7.432   2.440  -1.320
  417   1HG2  THR  55          HG21      THR  55  -7.278   5.523  -2.611
  418   2HG2  THR  55          HG22      THR  55  -8.943   5.093  -3.071
  419   3HG2  THR  55          HG23      THR  55  -8.652   6.291  -1.795
  420    H    ALA  56           H        ALA  56  -9.199   4.940   1.417
  421    HA   ALA  56           HA       ALA  56  -9.227   7.773   1.612
  422   1HB   ALA  56           HB1      ALA  56 -10.620   7.308   3.683
  423   2HB   ALA  56           HB2      ALA  56 -11.180   6.472   2.221
  424   3HB   ALA  56           HB3      ALA  56 -10.277   5.580   3.466
  425    H    ASN  57           H        ASN  57  -7.641   5.301   3.654
  426    HA   ASN  57           HA       ASN  57  -6.794   7.133   5.649
  427   1HB   ASN  57           HB2      ASN  57  -6.772   4.377   5.299
  428   2HB   ASN  57           HB3      ASN  57  -5.051   4.764   5.297
  429   1HD2  ASN  57          HD21      ASN  57  -4.577   6.593   7.194
  430   2HD2  ASN  57          HD22      ASN  57  -5.279   6.102   8.729
  431    H    PHE  58           H        PHE  58  -5.109   5.825   2.780
  432    HA   PHE  58           HA       PHE  58  -2.581   7.039   3.031
  433   1HB   PHE  58           HB2      PHE  58  -3.011   5.328   1.413
  434   2HB   PHE  58           HB3      PHE  58  -4.341   6.216   0.698
  435    HD1  PHE  58           HD1      PHE  58  -0.675   6.656   1.296
  436    HD2  PHE  58           HD2      PHE  58  -3.998   7.289  -1.356
  437    HE1  PHE  58           HE1      PHE  58   0.884   7.458  -0.472
  438    HE2  PHE  58           HE2      PHE  58  -2.476   8.183  -3.065
  439    HZ   PHE  58           HZ       PHE  58  -0.011   8.231  -2.649
  440    H    GLU  59           H        GLU  59  -5.509   8.190   1.280
  441    HA   GLU  59           HA       GLU  59  -4.427  10.728   0.581
  442   1HB   GLU  59           HB2      GLU  59  -7.242   9.678   0.834
  443   2HB   GLU  59           HB3      GLU  59  -6.890  11.311   0.246
  444   1HG   GLU  59           HG2      GLU  59  -5.474   8.948  -1.003
  445   2HG   GLU  59           HG3      GLU  59  -7.139   9.298  -1.423
  446    H    ALA  60           H        ALA  60  -6.395   9.683   3.386
  447    HA   ALA  60           HA       ALA  60  -6.876  12.192   4.538
  448   1HB   ALA  60           HB1      ALA  60  -6.432   9.535   5.968
  449   2HB   ALA  60           HB2      ALA  60  -7.189  10.979   6.656
  450   3HB   ALA  60           HB3      ALA  60  -7.979  10.130   5.318
  451    H    VAL  61           H        VAL  61  -4.084   9.964   5.044
  452    HA   VAL  61           HA       VAL  61  -2.673  11.680   6.851
  453    HB   VAL  61           HB       VAL  61  -1.719   9.593   4.848
  454   1HG1  VAL  61          HG11      VAL  61  -0.128  11.259   6.842
  455   2HG1  VAL  61          HG12      VAL  61   0.439   9.748   6.116
  456   3HG1  VAL  61          HG13      VAL  61   0.146  11.132   5.088
  457   1HG2  VAL  61          HG21      VAL  61  -1.287   8.307   6.926
  458   2HG2  VAL  61          HG22      VAL  61  -1.913   9.651   7.898
  459   3HG2  VAL  61          HG23      VAL  61  -2.996   8.757   6.816
  460    H    GLY  62           H        GLY  62  -2.535  11.430   3.270
  461   1HA   GLY  62           HA1      GLY  62  -2.464  13.387   1.900
  462   2HA   GLY  62           HA2      GLY  62  -1.629  14.297   3.164
  463    H    HIS  63           HN       HIS  63  -1.004  13.459   0.270
  464    HA   HIS  63           HA       HIS  63   1.808  12.664   0.626
  465   1HB   HIS  63           HB2      HIS  63  -0.341  11.008  -0.770
  466   2HB   HIS  63           HB3      HIS  63   1.376  10.832  -1.103
  467    HD1  HIS  63           HND      HIS  63  -1.161   9.942   1.696
  468    HD2  HIS  63           HD       HIS  63   2.894   9.641   0.664
  469    HE1  HIS  63           HE       HIS  63  -0.143   8.287   3.310
  470    H    SER  64           H        SER  64   2.836  14.162  -0.548
  471    HA   SER  64           HA       SER  64   1.482  15.969  -2.319
  472   1HB   SER  64           HB2      SER  64   4.453  15.486  -1.794
  473   2HB   SER  64           HB3      SER  64   3.805  16.833  -2.743
  474    HG   SER  64           HG       SER  64   3.581  16.354   0.015
  475    H    THR  65           H        THR  65   2.422  16.458  -4.566
  476    HA   THR  65           HA       THR  65   1.691  14.587  -6.457
  477    HB   THR  65           HB       THR  65   3.196  15.947  -8.007
  478    HG1  THR  65           HG1      THR  65   3.719  17.621  -5.810
  479   1HG2  THR  65          HG21      THR  65   1.129  16.958  -7.984
  480   2HG2  THR  65          HG22      THR  65   1.082  17.155  -6.226
  481   3HG2  THR  65          HG23      THR  65   2.059  18.252  -7.222
  482    H    ASP  66           H        ASP  66   5.050  15.315  -5.603
  483    HA   ASP  66           HA       ASP  66   6.418  13.340  -6.871
  484   1HB   ASP  66           HB2      ASP  66   7.067  15.213  -5.013
  485   2HB   ASP  66           HB3      ASP  66   7.184  13.789  -3.981
  486    H    ALA  67           H        ALA  67   4.838  12.947  -3.707
  487    HA   ALA  67           HA       ALA  67   5.641  10.192  -3.255
  488   1HB   ALA  67           HB1      ALA  67   4.004  10.282  -1.445
  489   2HB   ALA  67           HB2      ALA  67   4.921  11.807  -1.494
  490   3HB   ALA  67           HB3      ALA  67   3.268  11.747  -2.106
  491    H    ARG  68           H        ARG  68   2.708  11.859  -4.619
  492    HA   ARG  68           HA       ARG  68   1.003   9.601  -5.034
  493   1HB   ARG  68           HB2      ARG  68   1.192  12.340  -6.328
  494   2HB   ARG  68           HB3      ARG  68   0.022  11.147  -6.861
  495   1HG   ARG  68           HG2      ARG  68  -1.193  11.204  -4.888
  496   2HG   ARG  68           HG3      ARG  68   0.149  11.849  -3.928
  497   1HD   ARG  68           HD2      ARG  68  -0.059  14.015  -4.883
  498   2HD   ARG  68           HD3      ARG  68  -1.175  13.496  -6.133
  499    HE   ARG  68           HE       ARG  68  -1.636  13.923  -3.226
  500   1HH1  ARG  68          HH11      ARG  68  -5.073  13.138  -3.365
  501   2HH1  ARG  68          HH12      ARG  68  -3.880  14.030  -2.499
  502   1HH2  ARG  68          HH21      ARG  68  -4.676  12.759  -5.693
  503   2HH2  ARG  68          HH22      ARG  68  -3.024  12.717  -6.243
  504    H    GLU  69           H        GLU  69   3.665  11.020  -6.958
  505    HA   GLU  69           HA       GLU  69   3.212   9.300  -9.269
  506   1HB   GLU  69           HB2      GLU  69   5.093  11.425  -8.413
  507   2HB   GLU  69           HB3      GLU  69   5.787  10.221  -9.491
  508   1HG   GLU  69           HG2      GLU  69   3.093  11.428 -10.185
  509   2HG   GLU  69           HG3      GLU  69   4.573  12.353 -10.443
  510    H    LEU  70           H        LEU  70   5.493   9.454  -6.526
  511    HA   LEU  70           HA       LEU  70   7.006   7.253  -7.064
  512   1HB   LEU  70           HB2      LEU  70   7.370   8.849  -5.243
  513   2HB   LEU  70           HB3      LEU  70   5.976   8.179  -4.407
  514    HG   LEU  70           HG       LEU  70   7.080   6.669  -3.395
  515   1HD1  LEU  70          HD11      LEU  70   7.098   5.051  -4.865
  516   2HD1  LEU  70          HD12      LEU  70   8.281   5.813  -5.975
  517   3HD1  LEU  70          HD13      LEU  70   8.803   5.119  -4.425
  518   1HD2  LEU  70          HD21      LEU  70   9.650   7.783  -4.524
  519   2HD2  LEU  70          HD22      LEU  70   8.708   8.537  -3.209
  520   3HD2  LEU  70          HD23      LEU  70   9.413   6.926  -2.982
  521    H    SER  71           H        SER  71   3.882   7.240  -5.266
  522    HA   SER  71           HA       SER  71   3.514   4.525  -4.959
  523   1HB   SER  71           HB2      SER  71   1.232   4.785  -4.834
  524   2HB   SER  71           HB3      SER  71   1.824   6.385  -4.391
  525    HG   SER  71           HG       SER  71   1.287   7.064  -6.508
  526    H    LYS  72           H        LYS  72   3.063   6.214  -8.128
  527    HA   LYS  72           HA       LYS  72   2.165   3.918  -9.545
  528   1HB   LYS  72           HB2      LYS  72   3.624   6.378 -10.541
  529   2HB   LYS  72           HB3      LYS  72   2.963   5.133 -11.568
  530   1HG   LYS  72           HG2      LYS  72   1.115   6.331  -9.490
  531   2HG   LYS  72           HG3      LYS  72   1.579   7.324 -10.878
  532   1HD   LYS  72           HD2      LYS  72   0.870   5.570 -12.436
  533   2HD   LYS  72           HD3      LYS  72   0.446   4.493 -11.100
  534   1HE   LYS  72           HE2      LYS  72  -1.600   5.421 -10.883
  535   2HE   LYS  72           HE3      LYS  72  -0.917   7.037 -10.704
  536   1HZ   LYS  72           HZ1      LYS  72  -0.850   7.273 -13.054
  537   2HZ   LYS  72           HZ2      LYS  72  -1.398   5.746 -13.305
  538   3HZ   LYS  72           HZ3      LYS  72  -2.378   6.874 -12.603
  539    H    THR  73           H        THR  73   5.400   5.061  -8.674
  540    HA   THR  73           HA       THR  73   6.865   3.130 -10.256
  541    HB   THR  73           HB       THR  73   7.502   5.222  -8.214
  542    HG1  THR  73           HG1      THR  73   8.669   4.467 -10.654
  543   1HG2  THR  73          HG21      THR  73   8.779   3.412  -7.222
  544   2HG2  THR  73          HG22      THR  73   9.496   3.022  -8.806
  545   3HG2  THR  73          HG23      THR  73   9.827   4.584  -8.027
  546    H    PHE  74           H        PHE  74   5.020   2.793  -7.379
  547    HA   PHE  74           HA       PHE  74   6.360   0.199  -6.709
  548   1HB   PHE  74           HB2      PHE  74   4.573   2.074  -5.108
  549   2HB   PHE  74           HB3      PHE  74   4.821   0.397  -4.639
  550    HD1  PHE  74           HD1      PHE  74   7.452  -0.353  -4.793
  551    HD2  PHE  74           HD2      PHE  74   5.778   3.427  -3.580
  552    HE1  PHE  74           HE1      PHE  74   9.536   0.172  -3.567
  553    HE2  PHE  74           HE2      PHE  74   7.835   3.904  -2.275
  554    HZ   PHE  74           HZ       PHE  74   9.731   2.304  -2.326
  555    H    ILE  75           H        ILE  75   3.934   1.396  -8.640
  556    HA   ILE  75           HA       ILE  75   1.780  -0.276  -7.801
  557    HB   ILE  75           HB       ILE  75   2.090   1.807  -9.508
  558   1HG1  ILE  75          HG12      ILE  75   0.085   1.089  -8.297
  559   2HG1  ILE  75          HG13      ILE  75  -0.185   1.786  -9.897
  560   1HG2  ILE  75          HG21      ILE  75   1.431   1.164 -11.784
  561   2HG2  ILE  75          HG22      ILE  75   3.034   0.535 -11.371
  562   3HG2  ILE  75          HG23      ILE  75   1.633  -0.549 -11.385
  563   1HD1  ILE  75          HD11      ILE  75  -0.032  -1.150  -9.305
  564   2HD1  ILE  75          HD12      ILE  75  -1.531  -0.212  -9.354
  565   3HD1  ILE  75          HD13      ILE  75  -0.564  -0.396 -10.832
  566    H    ILE  76           H        ILE  76   1.348  -2.383  -8.174
  567    HA   ILE  76           HA       ILE  76   3.318  -3.924  -9.861
  568    HB   ILE  76           HB       ILE  76   2.525  -5.857  -8.479
  569   1HG1  ILE  76          HG12      ILE  76   1.569  -3.712  -6.521
  570   2HG1  ILE  76          HG13      ILE  76   0.472  -4.602  -7.583
  571   1HG2  ILE  76          HG21      ILE  76   4.095  -5.375  -6.689
  572   2HG2  ILE  76          HG22      ILE  76   4.714  -4.708  -8.198
  573   3HG2  ILE  76          HG23      ILE  76   3.981  -3.628  -6.996
  574   1HD1  ILE  76          HD11      ILE  76   1.546  -6.733  -6.571
  575   2HD1  ILE  76          HD12      ILE  76   2.184  -5.625  -5.328
  576   3HD1  ILE  76          HD13      ILE  76   0.444  -5.790  -5.558
  577    H    GLY  77           H        GLY  77  -0.119  -3.208  -9.482
  578   1HA   GLY  77           HA1      GLY  77  -0.877  -4.204 -12.013
  579   2HA   GLY  77           HA2      GLY  77  -1.253  -5.440 -10.783
  580    H    GLU  78           H        GLU  78  -3.539  -5.096 -10.759
  581    HA   GLU  78           HA       GLU  78  -4.396  -2.578  -9.504
  582   1HB   GLU  78           HB2      GLU  78  -4.801  -3.253 -12.355
  583   2HB   GLU  78           HB3      GLU  78  -6.287  -2.855 -11.527
  584   1HG   GLU  78           HG2      GLU  78  -5.709  -0.691 -11.084
  585   2HG   GLU  78           HG3      GLU  78  -3.963  -1.003 -11.097
  586    H    LEU  79           H        LEU  79  -6.818  -2.666  -9.139
  587    HA   LEU  79           HA       LEU  79  -7.242  -4.973  -7.435
  588   1HB   LEU  79           HB2      LEU  79  -8.118  -2.795  -6.815
  589   2HB   LEU  79           HB3      LEU  79  -8.955  -2.657  -8.364
  590    HG   LEU  79           HG       LEU  79 -10.241  -4.862  -7.555
  591   1HD1  LEU  79          HD11      LEU  79 -10.170  -5.415  -5.355
  592   2HD1  LEU  79          HD12      LEU  79  -8.569  -4.703  -5.452
  593   3HD1  LEU  79          HD13      LEU  79  -9.947  -3.734  -4.847
  594   1HD2  LEU  79          HD21      LEU  79 -11.169  -2.709  -8.087
  595   2HD2  LEU  79          HD22      LEU  79 -11.972  -3.475  -6.726
  596   3HD2  LEU  79          HD23      LEU  79 -10.831  -2.140  -6.423
  597    H    HIS  80           H        HIS  80  -8.281  -6.870  -7.944
  598    HA   HIS  80           HA       HIS  80  -8.874  -7.659 -10.567
  599   1HB   HIS  80           HB2      HIS  80  -8.572  -8.990  -8.390
  600   2HB   HIS  80           HB3      HIS  80 -10.324  -8.847  -8.217
  601    HD1  HIS  80           HD1      HIS  80 -11.612 -10.685  -9.669
  602    HD2  HIS  80           HD2      HIS  80  -7.521 -10.281 -10.525
  603    HE1  HIS  80           HE1      HIS  80 -11.046 -12.522 -11.305
  604    HA   PRO  81           HA       PRO  81 -12.756  -5.845 -11.462
  605   1HB   PRO  81           HB2      PRO  81 -13.607  -7.347 -13.587
  606   2HB   PRO  81           HB3      PRO  81 -12.330  -6.101 -13.659
  607   1HG   PRO  81           HG2      PRO  81 -11.986  -9.091 -13.399
  608   2HG   PRO  81           HG3      PRO  81 -11.078  -7.959 -14.450
  609   1HD   PRO  81           HD2      PRO  81 -10.144  -8.876 -12.088
  610   2HD   PRO  81           HD3      PRO  81  -9.749  -7.239 -12.677
  611    H    ASP  82           H        ASP  82 -12.414  -8.945 -10.114
  612    HA   ASP  82           HA       ASP  82 -15.255  -9.621  -9.942
  613   1HB   ASP  82           HB2      ASP  82 -13.406 -11.313  -9.927
  614   2HB   ASP  82           HB3      ASP  82 -12.923 -10.693  -8.306
  615    H    ASP  83           H        ASP  83 -12.883  -7.755  -8.109
  616    HA   ASP  83           HA       ASP  83 -14.375  -7.688  -5.611
  617   1HB   ASP  83           HB2      ASP  83 -11.950  -7.464  -5.624
  618   2HB   ASP  83           HB3      ASP  83 -12.076  -6.027  -6.667
  619    H    ARG  84           H        ARG  84 -13.770  -5.422  -8.270
  620    HA   ARG  84           HA       ARG  84 -15.293  -3.262  -7.164
  621   1HB   ARG  84           HB2      ARG  84 -14.859  -2.125  -9.233
  622   2HB   ARG  84           HB3      ARG  84 -13.411  -3.039  -8.778
  623   1HG   ARG  84           HG2      ARG  84 -14.296  -4.898 -10.330
  624   2HG   ARG  84           HG3      ARG  84 -15.516  -3.765 -10.873
  625   1HD   ARG  84           HD2      ARG  84 -13.673  -3.771 -12.450
  626   2HD   ARG  84           HD3      ARG  84 -13.872  -2.193 -11.654
  627    HE   ARG  84           HE       ARG  84 -11.922  -3.897 -10.309
  628   1HH1  ARG  84          HH11      ARG  84  -9.191  -1.958 -11.494
  629   2HH1  ARG  84          HH12      ARG  84  -9.642  -3.334 -10.542
  630   1HH2  ARG  84          HH21      ARG  84 -10.723  -1.182 -13.118
  631   2HH2  ARG  84          HH22      ARG  84 -12.363  -1.757 -13.075
  632    HHA  HEM 201           HGM      HEM 201   4.950  10.760   5.292
  633    HHB  HEM 201           HDM      HEM 201   5.635   8.093  -0.570
  634    HHC  HEM 201           HAM      HEM 201   0.777   4.105   0.725
  635    HHD  HEM 201           HBM      HEM 201   0.399   6.416   6.727
  636   1HMA  HEM 201          HM81      HEM 201   7.816   9.793   0.315
  637   2HMA  HEM 201          HM82      HEM 201   6.375  10.277  -0.595
  638   3HMA  HEM 201          HM83      HEM 201   7.144  11.433   0.471
  639   1HAA  HEM 201          HAA1      HEM 201   6.710  11.789   4.101
  640   2HAA  HEM 201          HAA2      HEM 201   7.022  12.274   2.449
  641   1HBA  HEM 201          HBA1      HEM 201   5.460  13.735   3.855
  642   2HBA  HEM 201          HBA2      HEM 201   4.238  12.487   3.668
  643   1HMB  HEM 201          HM11      HEM 201   4.673   7.165  -2.597
  644   2HMB  HEM 201          HM12      HEM 201   5.488   5.619  -2.204
  645   3HMB  HEM 201          HM13      HEM 201   3.920   5.616  -3.017
  646    HAB  HEM 201          HT2A      HEM 201   1.697   4.424  -2.444
  647   1HBB  HEM 201          HV2C      HEM 201   2.390   2.672  -0.167
  648   2HBB  HEM 201          HV2T      HEM 201   1.411   2.264  -1.720
  649   1HMC  HEM 201          HM31      HEM 201  -0.512   2.395   2.772
  650   2HMC  HEM 201          HM32      HEM 201  -1.977   3.238   3.322
  651   3HMC  HEM 201          HM33      HEM 201  -1.334   3.557   1.706
  652    HAC  HEM 201          HT4A      HEM 201  -1.185   3.528   5.989
  653   1HBC  HEM 201          HV4C      HEM 201  -2.247   6.392   5.614
  654   2HBC  HEM 201          HV4T      HEM 201  -2.840   5.116   6.842
  655   1HMD  HEM 201          HM51      HEM 201   2.336   7.436   9.107
  656   2HMD  HEM 201          HM52      HEM 201   1.646   9.068   9.105
  657   3HMD  HEM 201          HM53      HEM 201   0.689   7.718   8.503
  658   1HAD  HEM 201          HAD1      HEM 201   4.001   9.693   8.818
  659   2HAD  HEM 201          HAD2      HEM 201   4.853  10.551   7.548
  660   1HBD  HEM 201          HBD1      HEM 201   2.037  11.366   7.788
  661   2HBD  HEM 201          HBD2      HEM 201   2.944  11.579   9.293
  Start of MODEL   25
    1   1H    ALA   3           H1       ALA   3  -0.959 -10.255 -19.535
    2   2H    ALA   3           H2       ALA   3  -2.024 -10.652 -20.761
    3   3H    ALA   3           H3       ALA   3  -0.864  -9.478 -20.979
    4    HA   ALA   3           HA       ALA   3  -3.253  -9.414 -19.312
    5   1HB   ALA   3           HB1      ALA   3  -3.530  -7.136 -20.291
    6   2HB   ALA   3           HB2      ALA   3  -2.069  -7.397 -21.274
    7   3HB   ALA   3           HB3      ALA   3  -3.511  -8.413 -21.501
    8    H    VAL   4           H        VAL   4  -2.600  -6.526 -18.641
    9    HA   VAL   4           HA       VAL   4  -0.965  -6.875 -16.280
   10    HB   VAL   4           HB       VAL   4  -2.688  -5.356 -15.262
   11   1HG1  VAL   4          HG11      VAL   4  -1.388  -4.473 -17.866
   12   2HG1  VAL   4          HG12      VAL   4  -2.119  -3.371 -16.681
   13   3HG1  VAL   4          HG13      VAL   4  -0.735  -4.370 -16.216
   14   1HG2  VAL   4          HG21      VAL   4  -4.017  -5.428 -18.016
   15   2HG2  VAL   4          HG22      VAL   4  -4.699  -5.939 -16.462
   16   3HG2  VAL   4          HG23      VAL   4  -4.329  -4.236 -16.760
   17    H    LYS   5           H        LYS   5  -1.589  -7.970 -14.366
   18    HA   LYS   5           HA       LYS   5  -4.007  -9.732 -14.552
   19   1HB   LYS   5           HB2      LYS   5  -2.037 -11.053 -14.868
   20   2HB   LYS   5           HB3      LYS   5  -1.274 -10.398 -13.403
   21   1HG   LYS   5           HG2      LYS   5  -2.877 -11.447 -11.969
   22   2HG   LYS   5           HG3      LYS   5  -3.986 -11.779 -13.291
   23   1HD   LYS   5           HD2      LYS   5  -1.380 -12.974 -13.870
   24   2HD   LYS   5           HD3      LYS   5  -1.857 -13.428 -12.243
   25   1HE   LYS   5           HE2      LYS   5  -3.520 -14.811 -12.924
   26   2HE   LYS   5           HE3      LYS   5  -4.085 -13.741 -14.210
   27   1HZ   LYS   5           HZ1      LYS   5  -3.146 -15.821 -14.996
   28   2HZ   LYS   5           HZ2      LYS   5  -2.420 -14.493 -15.633
   29   3HZ   LYS   5           HZ3      LYS   5  -1.658 -15.368 -14.461
   30    H    TYR   6           H        TYR   6  -5.219  -8.154 -13.614
   31    HA   TYR   6           HA       TYR   6  -4.615  -6.702 -11.294
   32   1HB   TYR   6           HB2      TYR   6  -7.330  -7.803 -12.059
   33   2HB   TYR   6           HB3      TYR   6  -6.972  -6.324 -11.156
   34    HD1  TYR   6           HD1      TYR   6  -5.240  -4.742 -12.606
   35    HD2  TYR   6           HD2      TYR   6  -8.142  -7.467 -14.223
   36    HE1  TYR   6           HE1      TYR   6  -5.574  -3.226 -14.561
   37    HE2  TYR   6           HE2      TYR   6  -8.419  -6.000 -16.204
   38    HH   TYR   6           HH       TYR   6  -6.896  -2.777 -16.376
   39    H    TYR   7           H        TYR   7  -5.495  -7.000  -9.106
   40    HA   TYR   7           HA       TYR   7  -5.496  -9.892  -8.265
   41   1HB   TYR   7           HB2      TYR   7  -4.539  -7.447  -6.856
   42   2HB   TYR   7           HB3      TYR   7  -4.418  -9.113  -6.243
   43    HD1  TYR   7           HD1      TYR   7  -2.767 -10.691  -7.242
   44    HD2  TYR   7           HD2      TYR   7  -2.849  -6.518  -8.254
   45    HE1  TYR   7           HE1      TYR   7  -0.628 -10.955  -8.481
   46    HE2  TYR   7           HE2      TYR   7  -0.718  -6.780  -9.519
   47    HH   TYR   7           HH       TYR   7   0.696  -9.961 -10.166
   48    H    THR   8           H        THR   8  -7.207 -10.529  -7.039
   49    HA   THR   8           HA       THR   8  -9.461  -8.748  -6.553
   50    HB   THR   8           HB       THR   8 -10.289 -10.999  -5.543
   51    HG1  THR   8           HG1      THR   8  -8.096 -11.759  -5.187
   52   1HG2  THR   8          HG21      THR   8 -10.397 -12.168  -7.739
   53   2HG2  THR   8          HG22      THR   8 -10.845 -10.459  -7.875
   54   3HG2  THR   8          HG23      THR   8  -9.230 -11.020  -8.405
   55    H    LEU   9           H        LEU   9 -10.357  -8.371  -4.391
   56    HA   LEU   9           HA       LEU   9  -8.615  -7.447  -2.512
   57   1HB   LEU   9           HB2      LEU   9 -11.401  -7.726  -2.765
   58   2HB   LEU   9           HB3      LEU   9 -11.056  -8.603  -1.322
   59    HG   LEU   9           HG       LEU   9 -10.185  -5.726  -1.863
   60   1HD1  LEU   9          HD11      LEU   9 -11.915  -5.023  -0.369
   61   2HD1  LEU   9          HD12      LEU   9 -12.685  -6.127  -1.515
   62   3HD1  LEU   9          HD13      LEU   9 -12.288  -6.692   0.116
   63   1HD2  LEU   9          HD21      LEU   9  -9.966  -7.399   0.672
   64   2HD2  LEU   9          HD22      LEU   9  -8.609  -6.758  -0.282
   65   3HD2  LEU   9          HD23      LEU   9  -9.680  -5.651   0.585
   66    H    GLU  10           H        GLU  10 -10.001 -10.732  -2.741
   67    HA   GLU  10           HA       GLU  10  -9.053 -11.839  -0.392
   68   1HB   GLU  10           HB2      GLU  10 -10.557 -12.877  -2.169
   69   2HB   GLU  10           HB3      GLU  10  -9.093 -13.335  -3.030
   70   1HG   GLU  10           HG2      GLU  10  -9.727 -15.217  -1.692
   71   2HG   GLU  10           HG3      GLU  10  -8.282 -14.532  -0.961
   72    H    GLU  11           H        GLU  11  -7.342 -12.305  -3.544
   73    HA   GLU  11           HA       GLU  11  -4.960 -13.208  -2.500
   74   1HB   GLU  11           HB2      GLU  11  -5.823 -11.962  -5.071
   75   2HB   GLU  11           HB3      GLU  11  -4.122 -11.730  -4.687
   76   1HG   GLU  11           HG2      GLU  11  -4.452 -13.792  -5.989
   77   2HG   GLU  11           HG3      GLU  11  -3.792 -14.141  -4.385
   78    H    ILE  12           H        ILE  12  -5.839  -9.761  -3.121
   79    HA   ILE  12           HA       ILE  12  -3.400  -8.737  -2.119
   80    HB   ILE  12           HB       ILE  12  -6.163  -7.452  -2.050
   81   1HG1  ILE  12          HG12      ILE  12  -5.519  -8.126  -4.364
   82   2HG1  ILE  12          HG13      ILE  12  -5.479  -6.389  -4.163
   83   1HG2  ILE  12          HG21      ILE  12  -4.314  -5.455  -2.486
   84   2HG2  ILE  12          HG22      ILE  12  -5.029  -5.822  -0.909
   85   3HG2  ILE  12          HG23      ILE  12  -3.431  -6.466  -1.353
   86   1HD1  ILE  12          HD11      ILE  12  -3.462  -6.819  -5.244
   87   2HD1  ILE  12          HD12      ILE  12  -2.905  -6.816  -3.596
   88   3HD1  ILE  12          HD13      ILE  12  -3.208  -8.359  -4.424
   89    H    GLN  13           H        GLN  13  -6.295  -9.725  -0.333
   90    HA   GLN  13           HA       GLN  13  -5.384  -8.976   2.297
   91   1HB   GLN  13           HB2      GLN  13  -7.650 -10.549   1.104
   92   2HB   GLN  13           HB3      GLN  13  -7.173 -11.008   2.702
   93   1HG   GLN  13           HG2      GLN  13  -7.473  -8.064   2.347
   94   2HG   GLN  13           HG3      GLN  13  -8.934  -8.989   2.023
   95   1HE2  GLN  13          HE21      GLN  13  -8.158  -7.130   4.352
   96   2HE2  GLN  13          HE22      GLN  13  -8.551  -8.122   5.747
   97    H    LYS  14           H        LYS  14  -4.758 -11.803   0.220
   98    HA   LYS  14           HA       LYS  14  -3.876 -13.489   2.364
   99   1HB   LYS  14           HB2      LYS  14  -3.125 -13.432  -0.579
  100   2HB   LYS  14           HB3      LYS  14  -2.564 -14.658   0.530
  101   1HG   LYS  14           HG2      LYS  14  -5.530 -14.069   0.365
  102   2HG   LYS  14           HG3      LYS  14  -4.790 -14.996  -0.933
  103   1HD   LYS  14           HD2      LYS  14  -4.352 -16.820   0.362
  104   2HD   LYS  14           HD3      LYS  14  -4.028 -15.856   1.810
  105   1HE   LYS  14           HE2      LYS  14  -6.707 -15.414   1.670
  106   2HE   LYS  14           HE3      LYS  14  -6.654 -16.925   0.763
  107   1HZ   LYS  14           HZ1      LYS  14  -6.326 -16.419   3.537
  108   2HZ   LYS  14           HZ2      LYS  14  -6.694 -17.832   2.781
  109   3HZ   LYS  14           HZ3      LYS  14  -5.120 -17.380   2.962
  110    H    HIS  15           H        HIS  15  -2.473 -10.592   1.037
  111    HA   HIS  15           HA       HIS  15   0.208 -11.177   2.237
  112   1HB   HIS  15           HB2      HIS  15  -0.718  -9.276   0.071
  113   2HB   HIS  15           HB3      HIS  15   0.912  -9.303   0.754
  114    HD1  HIS  15           HD1      HIS  15   2.536 -10.692  -0.630
  115    HD2  HIS  15           HD2      HIS  15  -1.427 -11.987  -0.950
  116    HE1  HIS  15           HE1      HIS  15   2.499 -12.495  -2.453
  117    H    ASN  16           H        ASN  16  -0.730 -10.705   4.402
  118    HA   ASN  16           HA       ASN  16  -0.410  -7.890   5.142
  119   1HB   ASN  16           HB2      ASN  16  -2.626  -7.709   6.198
  120   2HB   ASN  16           HB3      ASN  16  -2.697  -7.859   4.441
  121   1HD2  ASN  16          HD21      ASN  16  -5.055  -8.316   5.352
  122   2HD2  ASN  16          HD22      ASN  16  -5.374 -10.049   5.331
  123    H    ASN  17           H        ASN  17   1.364  -9.312   6.076
  124    HA   ASN  17           HA       ASN  17   0.625  -9.849   8.904
  125   1HB   ASN  17           HB2      ASN  17   1.411 -11.965   6.933
  126   2HB   ASN  17           HB3      ASN  17   2.340 -11.980   8.433
  127   1HD2  ASN  17          HD21      ASN  17   0.612 -14.108   7.583
  128   2HD2  ASN  17          HD22      ASN  17  -0.629 -14.214   8.818
  129    H    SER  18           H        SER  18   3.340 -10.147   6.630
  130    HA   SER  18           HA       SER  18   4.877  -8.053   7.658
  131   1HB   SER  18           HB2      SER  18   4.945 -10.303   9.467
  132   2HB   SER  18           HB3      SER  18   6.499 -10.251   8.646
  133    HG   SER  18           HG       SER  18   6.399  -8.973  10.534
  134    H    LYS  19           H        LYS  19   5.019 -11.404   6.450
  135    HA   LYS  19           HA       LYS  19   7.339 -11.293   4.944
  136   1HB   LYS  19           HB2      LYS  19   4.970 -13.012   5.115
  137   2HB   LYS  19           HB3      LYS  19   5.468 -12.865   3.428
  138   1HG   LYS  19           HG2      LYS  19   7.585 -13.803   3.803
  139   2HG   LYS  19           HG3      LYS  19   7.579 -13.377   5.511
  140   1HD   LYS  19           HD2      LYS  19   7.436 -15.650   5.498
  141   2HD   LYS  19           HD3      LYS  19   5.842 -15.103   5.981
  142   1HE   LYS  19           HE2      LYS  19   6.475 -15.865   3.075
  143   2HE   LYS  19           HE3      LYS  19   6.188 -17.106   4.298
  144   1HZ   LYS  19           HZ1      LYS  19   4.258 -15.048   3.493
  145   2HZ   LYS  19           HZ2      LYS  19   4.188 -16.665   3.201
  146   3HZ   LYS  19           HZ3      LYS  19   4.040 -16.111   4.736
  147    H    SER  20           H        SER  20   4.069 -10.244   3.838
  148    HA   SER  20           HA       SER  20   5.414  -8.401   2.031
  149   1HB   SER  20           HB2      SER  20   3.777  -8.994   0.215
  150   2HB   SER  20           HB3      SER  20   5.167 -10.066   0.447
  151    HG   SER  20           HG       SER  20   3.739 -11.376   1.773
  152    H    THR  21           H        THR  21   4.497  -6.523   2.273
  153    HA   THR  21           HA       THR  21   1.800  -6.170   3.467
  154    HB   THR  21           HB       THR  21   4.328  -4.504   3.324
  155    HG1  THR  21           HG1      THR  21   4.118  -4.635   5.536
  156   1HG2  THR  21          HG21      THR  21   2.597  -2.959   4.820
  157   2HG2  THR  21          HG22      THR  21   3.084  -2.647   3.149
  158   3HG2  THR  21          HG23      THR  21   1.563  -3.469   3.481
  159    H    TRP  22           H        TRP  22   0.537  -6.451   1.679
  160    HA   TRP  22           HA       TRP  22   0.929  -4.632  -0.673
  161   1HB   TRP  22           HB2      TRP  22  -0.757  -7.115  -0.195
  162   2HB   TRP  22           HB3      TRP  22  -0.895  -6.086  -1.611
  163    HD1  TRP  22           HD1      TRP  22   2.701  -6.582  -0.645
  164    HE1  TRP  22           HE1      TRP  22   3.846  -7.806  -2.435
  165    HE3  TRP  22           HE3      TRP  22  -1.418  -8.303  -3.043
  166    HZ2  TRP  22           HZ2      TRP  22   3.079  -9.355  -4.859
  167    HZ3  TRP  22           HZ3      TRP  22  -1.241  -9.517  -5.177
  168    HH2  TRP  22           HH2      TRP  22   1.033 -10.047  -6.121
  169    H    LEU  23           H        LEU  23  -1.365  -3.846  -1.430
  170    HA   LEU  23           HA       LEU  23  -3.460  -3.515   0.341
  171   1HB   LEU  23           HB2      LEU  23  -3.045  -1.026   0.919
  172   2HB   LEU  23           HB3      LEU  23  -2.307  -2.270   1.882
  173    HG   LEU  23           HG       LEU  23  -0.194  -1.915   0.268
  174   1HD1  LEU  23          HD11      LEU  23   0.012   0.358  -0.520
  175   2HD1  LEU  23          HD12      LEU  23  -1.375  -0.417  -1.314
  176   3HD1  LEU  23          HD13      LEU  23  -1.625   0.710   0.047
  177   1HD2  LEU  23          HD21      LEU  23   0.081   0.346   1.800
  178   2HD2  LEU  23          HD22      LEU  23  -1.098  -0.589   2.736
  179   3HD2  LEU  23          HD23      LEU  23   0.465  -1.312   2.297
  180    H    ILE  24           H        ILE  24  -4.739  -1.430  -0.396
  181    HA   ILE  24           HA       ILE  24  -4.597  -1.225  -3.364
  182    HB   ILE  24           HB       ILE  24  -7.026  -1.702  -1.625
  183   1HG1  ILE  24          HG12      ILE  24  -6.087  -3.455  -3.939
  184   2HG1  ILE  24          HG13      ILE  24  -5.444  -3.663  -2.326
  185   1HG2  ILE  24          HG21      ILE  24  -8.423  -1.193  -3.373
  186   2HG2  ILE  24          HG22      ILE  24  -7.092  -0.155  -3.894
  187   3HG2  ILE  24          HG23      ILE  24  -7.291  -1.744  -4.615
  188   1HD1  ILE  24          HD11      ILE  24  -7.209  -4.741  -1.541
  189   2HD1  ILE  24          HD12      ILE  24  -8.356  -3.543  -2.163
  190   3HD1  ILE  24          HD13      ILE  24  -7.774  -4.867  -3.198
  191    H    LEU  25           H        LEU  25  -4.275   0.863  -3.739
  192    HA   LEU  25           HA       LEU  25  -5.515   2.991  -2.029
  193   1HB   LEU  25           HB2      LEU  25  -2.792   2.685  -3.289
  194   2HB   LEU  25           HB3      LEU  25  -3.485   4.290  -3.109
  195    HG   LEU  25           HG       LEU  25  -3.091   4.484  -0.997
  196   1HD1  LEU  25          HD11      LEU  25  -4.504   2.884  -0.180
  197   2HD1  LEU  25          HD12      LEU  25  -3.451   1.542  -0.663
  198   3HD1  LEU  25          HD13      LEU  25  -2.963   2.651   0.655
  199   1HD2  LEU  25          HD21      LEU  25  -0.891   3.248  -0.365
  200   2HD2  LEU  25          HD22      LEU  25  -1.012   2.436  -1.915
  201   3HD2  LEU  25          HD23      LEU  25  -0.910   4.203  -1.844
  202    H    HIS  26           H        HIS  26  -7.350   3.096  -3.256
  203    HA   HIS  26           HA       HIS  26  -8.672   3.894  -4.901
  204   1HB   HIS  26           HB2      HIS  26  -6.278   5.124  -6.286
  205   2HB   HIS  26           HB3      HIS  26  -7.973   5.587  -6.399
  206    HD1  HIS  26           HD1      HIS  26  -8.867   7.180  -4.376
  207    HD2  HIS  26           HD2      HIS  26  -4.878   5.879  -4.163
  208    HE1  HIS  26           HE1      HIS  26  -7.743   8.570  -2.551
  209    H    TYR  27           H        TYR  27  -8.353   1.377  -5.156
  210    HA   TYR  27           HA       TYR  27  -8.541  -0.379  -6.524
  211   1HB   TYR  27           HB2      TYR  27  -8.754   1.609  -8.826
  212   2HB   TYR  27           HB3      TYR  27  -9.320  -0.045  -8.783
  213    HD1  TYR  27           HD1      TYR  27 -11.469  -0.587  -8.000
  214    HD2  TYR  27           HD2      TYR  27  -9.973   3.392  -7.432
  215    HE1  TYR  27           HE1      TYR  27 -13.601   0.054  -6.868
  216    HE2  TYR  27           HE2      TYR  27 -12.097   4.051  -6.368
  217    HH   TYR  27           HH       TYR  27 -14.205   3.363  -5.692
  218    H    LYS  28           H        LYS  28  -5.788   0.977  -6.143
  219    HA   LYS  28           HA       LYS  28  -4.336  -0.402  -8.353
  220   1HB   LYS  28           HB2      LYS  28  -3.873   2.311  -7.111
  221   2HB   LYS  28           HB3      LYS  28  -2.630   1.427  -8.010
  222   1HG   LYS  28           HG2      LYS  28  -3.990   1.410 -10.004
  223   2HG   LYS  28           HG3      LYS  28  -5.383   2.051  -9.127
  224   1HD   LYS  28           HD2      LYS  28  -2.944   3.728  -8.865
  225   2HD   LYS  28           HD3      LYS  28  -3.437   3.540 -10.549
  226   1HE   LYS  28           HE2      LYS  28  -5.260   4.407  -8.264
  227   2HE   LYS  28           HE3      LYS  28  -4.464   5.538  -9.355
  228   1HZ   LYS  28           HZ1      LYS  28  -6.809   4.881  -9.913
  229   2HZ   LYS  28           HZ2      LYS  28  -5.727   4.753 -11.150
  230   3HZ   LYS  28           HZ3      LYS  28  -6.249   3.409 -10.371
  231    H    VAL  29           H        VAL  29  -2.930  -1.887  -7.637
  232    HA   VAL  29           HA       VAL  29  -2.633  -2.206  -4.770
  233    HB   VAL  29           HB       VAL  29  -1.750  -4.015  -7.027
  234   1HG1  VAL  29          HG11      VAL  29  -2.437  -4.645  -4.117
  235   2HG1  VAL  29          HG12      VAL  29  -1.647  -5.710  -5.310
  236   3HG1  VAL  29          HG13      VAL  29  -0.787  -4.340  -4.640
  237   1HG2  VAL  29          HG21      VAL  29  -4.352  -4.145  -5.462
  238   2HG2  VAL  29          HG22      VAL  29  -4.216  -3.603  -7.148
  239   3HG2  VAL  29          HG23      VAL  29  -3.794  -5.250  -6.729
  240    H    TYR  30           H        TYR  30  -0.719  -2.093  -3.683
  241    HA   TYR  30           HA       TYR  30   1.787  -1.394  -5.173
  242   1HB   TYR  30           HB2      TYR  30   0.640  -0.046  -2.711
  243   2HB   TYR  30           HB3      TYR  30   2.214   0.279  -3.437
  244    HD1  TYR  30           HD1      TYR  30   2.388   1.388  -5.621
  245    HD2  TYR  30           HD2      TYR  30  -1.453   0.714  -3.827
  246    HE1  TYR  30           HE1      TYR  30   1.315   2.968  -7.238
  247    HE2  TYR  30           HE2      TYR  30  -2.455   2.393  -5.377
  248    HH   TYR  30           HH       TYR  30  -0.511   4.123  -7.801
  249    H    ASP  31           H        ASP  31   3.040  -3.154  -4.824
  250    HA   ASP  31           HA       ASP  31   3.110  -4.567  -2.219
  251   1HB   ASP  31           HB2      ASP  31   3.341  -5.961  -4.196
  252   2HB   ASP  31           HB3      ASP  31   4.620  -4.904  -4.836
  253    H    LEU  32           H        LEU  32   4.129  -3.303  -0.688
  254    HA   LEU  32           HA       LEU  32   6.679  -2.002  -1.491
  255   1HB   LEU  32           HB2      LEU  32   4.963  -1.367   0.917
  256   2HB   LEU  32           HB3      LEU  32   6.448  -0.631   0.408
  257    HG   LEU  32           HG       LEU  32   4.776  -0.501  -1.903
  258   1HD1  LEU  32          HD11      LEU  32   2.902  -1.043  -0.226
  259   2HD1  LEU  32          HD12      LEU  32   3.246   0.542   0.504
  260   3HD1  LEU  32          HD13      LEU  32   2.706   0.426  -1.181
  261   1HD2  LEU  32          HD21      LEU  32   5.512   1.575   0.176
  262   2HD2  LEU  32          HD22      LEU  32   6.458   1.101  -1.258
  263   3HD2  LEU  32          HD23      LEU  32   4.909   1.927  -1.463
  264    H    THR  33           H        THR  33   5.782  -2.965   1.792
  265    HA   THR  33           HA       THR  33   6.752  -4.173   3.308
  266    HB   THR  33           HB       THR  33   6.510  -5.939   1.082
  267    HG1  THR  33           HG1      THR  33   6.670  -6.495   3.855
  268   1HG2  THR  33          HG21      THR  33   7.985  -7.739   1.897
  269   2HG2  THR  33          HG22      THR  33   8.868  -6.401   1.147
  270   3HG2  THR  33          HG23      THR  33   8.840  -6.573   2.931
  271    H    LYS  34           H        LYS  34   9.122  -4.044   0.620
  272    HA   LYS  34           HA       LYS  34  11.398  -3.910   2.487
  273   1HB   LYS  34           HB2      LYS  34  10.999  -3.857  -0.520
  274   2HB   LYS  34           HB3      LYS  34  12.573  -3.475   0.200
  275   1HG   LYS  34           HG2      LYS  34  12.926  -5.591   1.019
  276   2HG   LYS  34           HG3      LYS  34  11.208  -5.940   1.234
  277   1HD   LYS  34           HD2      LYS  34  10.864  -6.211  -1.142
  278   2HD   LYS  34           HD3      LYS  34  12.559  -5.793  -1.491
  279   1HE   LYS  34           HE2      LYS  34  13.363  -7.781  -0.309
  280   2HE   LYS  34           HE3      LYS  34  11.752  -8.098   0.351
  281   1HZ   LYS  34           HZ1      LYS  34  11.087  -8.320  -2.081
  282   2HZ   LYS  34           HZ2      LYS  34  12.694  -8.537  -2.372
  283   3HZ   LYS  34           HZ3      LYS  34  11.893  -9.555  -1.358
  284    H    PHE  35           H        PHE  35   8.993  -1.787   1.465
  285    HA   PHE  35           HA       PHE  35  10.754   0.574   1.827
  286   1HB   PHE  35           HB2      PHE  35   9.051   0.103  -0.193
  287   2HB   PHE  35           HB3      PHE  35   7.915   0.694   0.967
  288    HD1  PHE  35           HD1      PHE  35  11.394   1.694  -0.124
  289    HD2  PHE  35           HD2      PHE  35   7.349   2.984   0.687
  290    HE1  PHE  35           HE1      PHE  35  12.013   4.009  -0.693
  291    HE2  PHE  35           HE2      PHE  35   7.975   5.300   0.080
  292    HZ   PHE  35           HZ       PHE  35  10.329   5.830  -0.544
  293    H    LEU  36           H        LEU  36   9.102  -1.472   3.861
  294    HA   LEU  36           HA       LEU  36   7.253   0.273   5.135
  295   1HB   LEU  36           HB2      LEU  36   8.884  -2.016   6.287
  296   2HB   LEU  36           HB3      LEU  36   7.547  -1.241   7.130
  297    HG   LEU  36           HG       LEU  36   7.166  -2.440   4.405
  298   1HD1  LEU  36          HD11      LEU  36   8.011  -4.220   5.935
  299   2HD1  LEU  36          HD12      LEU  36   6.826  -3.744   7.154
  300   3HD1  LEU  36          HD13      LEU  36   6.287  -4.476   5.624
  301   1HD2  LEU  36          HD21      LEU  36   5.459  -0.989   4.910
  302   2HD2  LEU  36          HD22      LEU  36   4.822  -2.610   5.156
  303   3HD2  LEU  36          HD23      LEU  36   5.238  -1.610   6.569
  304    H    GLU  37           H        GLU  37  10.607  -0.489   6.230
  305    HA   GLU  37           HA       GLU  37  10.607   1.609   8.160
  306   1HB   GLU  37           HB2      GLU  37  12.983   1.114   8.353
  307   2HB   GLU  37           HB3      GLU  37  11.980  -0.330   8.422
  308   1HG   GLU  37           HG2      GLU  37  13.175  -1.285   6.786
  309   2HG   GLU  37           HG3      GLU  37  12.784   0.004   5.652
  310    H    GLU  38           H        GLU  38  11.619   1.436   4.765
  311    HA   GLU  38           HA       GLU  38  12.996   3.909   4.627
  312   1HB   GLU  38           HB2      GLU  38  11.486   2.449   2.452
  313   2HB   GLU  38           HB3      GLU  38  12.718   3.651   2.214
  314   1HG   GLU  38           HG2      GLU  38  14.164   1.934   3.744
  315   2HG   GLU  38           HG3      GLU  38  13.031   0.775   3.043
  316    H    HIS  39           HN       HIS  39   9.586   3.010   4.185
  317    HA   HIS  39           HA       HIS  39   8.581   5.280   2.997
  318   1HB   HIS  39           HB2      HIS  39   7.199   3.407   3.158
  319   2HB   HIS  39           HB3      HIS  39   7.355   3.320   4.920
  320    HD1  HIS  39           HND      HIS  39   5.656   4.641   6.313
  321    HD2  HIS  39           HD       HIS  39   5.673   5.542   2.210
  322    HE1  HIS  39           HE       HIS  39   3.638   6.097   5.907
  323    HA   PRO  40           HA       PRO  40   9.462   8.058   6.451
  324   1HB   PRO  40           HB2      PRO  40   8.801  10.436   5.287
  325   2HB   PRO  40           HB3      PRO  40  10.270   9.510   4.900
  326   1HG   PRO  40           HG2      PRO  40   7.717   9.607   3.325
  327   2HG   PRO  40           HG3      PRO  40   9.393   9.630   2.720
  328   1HD   PRO  40           HD2      PRO  40   7.722   7.411   2.845
  329   2HD   PRO  40           HD3      PRO  40   9.511   7.317   2.838
  330    H    GLY  41           H        GLY  41   7.761   6.819   7.466
  331   1HA   GLY  41           HA1      GLY  41   5.552   8.545   8.394
  332   2HA   GLY  41           HA2      GLY  41   5.060   7.067   7.560
  333    H    GLY  42           H        GLY  42   7.180   5.340   8.431
  334   1HA   GLY  42           HA1      GLY  42   8.089   4.466  10.472
  335   2HA   GLY  42           HA2      GLY  42   6.772   5.184  11.401
  336    H    GLU  43           H        GLU  43   7.866   2.388   9.942
  337    HA   GLU  43           HA       GLU  43   5.712   1.013   8.934
  338   1HB   GLU  43           HB2      GLU  43   6.933  -0.999   9.679
  339   2HB   GLU  43           HB3      GLU  43   7.843   0.193   8.739
  340   1HG   GLU  43           HG2      GLU  43   9.089   0.940  10.670
  341   2HG   GLU  43           HG3      GLU  43   8.079  -0.007  11.767
  342    H    ALA  44           H        ALA  44   3.853   1.429   9.929
  343    HA   ALA  44           HA       ALA  44   3.065  -0.260  12.181
  344   1HB   ALA  44           HB1      ALA  44   3.044   2.791  12.520
  345   2HB   ALA  44           HB2      ALA  44   2.287   1.610  13.612
  346   3HB   ALA  44           HB3      ALA  44   4.048   1.651  13.423
  347    H    VAL  45           H        VAL  45   1.848   2.890  10.898
  348    HA   VAL  45           HA       VAL  45  -0.694   1.724  10.382
  349    HB   VAL  45           HB       VAL  45  -0.295   4.113  10.870
  350   1HG1  VAL  45          HG11      VAL  45   0.275   5.656   9.098
  351   2HG1  VAL  45          HG12      VAL  45   1.600   4.491   9.289
  352   3HG1  VAL  45          HG13      VAL  45   0.466   4.337   7.929
  353   1HG2  VAL  45          HG21      VAL  45  -2.425   4.233  10.230
  354   2HG2  VAL  45          HG22      VAL  45  -1.912   4.560   8.571
  355   3HG2  VAL  45          HG23      VAL  45  -2.224   2.900   9.092
  356    H    LEU  46           H        LEU  46   2.228   2.337   8.038
  357    HA   LEU  46           HA       LEU  46   0.602   1.467   5.867
  358   1HB   LEU  46           HB2      LEU  46   2.497   2.693   5.394
  359   2HB   LEU  46           HB3      LEU  46   3.514   1.774   6.510
  360    HG   LEU  46           HG       LEU  46   3.411  -0.171   4.981
  361   1HD1  LEU  46          HD11      LEU  46   2.223   1.785   2.966
  362   2HD1  LEU  46          HD12      LEU  46   2.693   0.090   2.691
  363   3HD1  LEU  46          HD13      LEU  46   1.327   0.468   3.748
  364   1HD2  LEU  46          HD21      LEU  46   4.451   2.464   3.844
  365   2HD2  LEU  46          HD22      LEU  46   5.280   1.456   5.041
  366   3HD2  LEU  46          HD23      LEU  46   5.039   0.851   3.387
  367    H    ARG  47           H        ARG  47   2.058  -0.329   8.513
  368    HA   ARG  47           HA       ARG  47   2.010  -2.906   7.122
  369   1HB   ARG  47           HB2      ARG  47   3.657  -2.197   8.922
  370   2HB   ARG  47           HB3      ARG  47   2.334  -2.328  10.075
  371   1HG   ARG  47           HG2      ARG  47   2.975  -4.455  10.345
  372   2HG   ARG  47           HG3      ARG  47   2.110  -4.779   8.857
  373   1HD   ARG  47           HD2      ARG  47   3.980  -5.420   7.819
  374   2HD   ARG  47           HD3      ARG  47   4.799  -3.904   8.147
  375    HE   ARG  47           HE       ARG  47   5.200  -6.444   9.442
  376   1HH1  ARG  47          HH11      ARG  47   7.070  -5.212  12.145
  377   2HH1  ARG  47          HH12      ARG  47   6.597  -6.617  11.226
  378   1HH2  ARG  47          HH21      ARG  47   6.277  -3.062  11.475
  379   2HH2  ARG  47          HH22      ARG  47   5.133  -2.994  10.171
  380    H    ALA  48           H        ALA  48   0.060  -1.191   9.626
  381    HA   ALA  48           HA       ALA  48  -1.710  -3.399  10.128
  382   1HB   ALA  48           HB1      ALA  48  -3.161  -1.385  11.044
  383   2HB   ALA  48           HB2      ALA  48  -1.676  -1.887  11.872
  384   3HB   ALA  48           HB3      ALA  48  -1.663  -0.462  10.811
  385    H    GLN  49           H        GLN  49  -1.882  -0.588   7.891
  386    HA   GLN  49           HA       GLN  49  -4.530  -1.334   6.918
  387   1HB   GLN  49           HB2      GLN  49  -2.302   0.555   6.057
  388   2HB   GLN  49           HB3      GLN  49  -3.841   0.432   5.213
  389   1HG   GLN  49           HG2      GLN  49  -3.547   1.220   8.132
  390   2HG   GLN  49           HG3      GLN  49  -3.874   2.301   6.772
  391   1HE2  GLN  49          HE21      GLN  49  -5.472   1.055   9.323
  392   2HE2  GLN  49          HE22      GLN  49  -7.037   0.785   8.574
  393    H    ALA  50           H        ALA  50  -1.483  -2.759   6.490
  394    HA   ALA  50           HA       ALA  50  -1.546  -3.289   3.731
  395   1HB   ALA  50           HB1      ALA  50  -0.046  -5.108   4.196
  396   2HB   ALA  50           HB2      ALA  50   0.347  -3.793   5.332
  397   3HB   ALA  50           HB3      ALA  50  -0.570  -5.213   5.883
  398    H    GLY  51           H        GLY  51  -2.464  -5.056   2.573
  399   1HA   GLY  51           HA1      GLY  51  -3.663  -7.172   2.524
  400   2HA   GLY  51           HA2      GLY  51  -4.653  -6.639   3.898
  401    H    GLY  52           H        GLY  52  -4.756  -3.828   2.706
  402   1HA   GLY  52           HA1      GLY  52  -5.682  -3.136   0.403
  403   2HA   GLY  52           HA2      GLY  52  -6.903  -4.378   0.701
  404    H    ASP  53           H        ASP  53  -8.000  -2.123   0.354
  405    HA   ASP  53           HA       ASP  53  -9.369  -0.553   1.174
  406   1HB   ASP  53           HB2      ASP  53 -10.117  -2.672   2.447
  407   2HB   ASP  53           HB3      ASP  53  -9.271  -1.998   3.851
  408    H    ALA  54           H        ALA  54  -6.637   0.129   1.164
  409    HA   ALA  54           HA       ALA  54  -6.256   1.662   3.714
  410   1HB   ALA  54           HB1      ALA  54  -4.460   0.045   3.127
  411   2HB   ALA  54           HB2      ALA  54  -4.211   0.919   1.612
  412   3HB   ALA  54           HB3      ALA  54  -3.938   1.757   3.158
  413    H    THR  55           H        THR  55  -7.688   2.044   0.780
  414    HA   THR  55           HA       THR  55  -6.373   4.260  -0.343
  415    HB   THR  55           HB       THR  55  -9.372   3.658  -0.412
  416    HG1  THR  55           HG1      THR  55  -8.451   1.851  -1.194
  417   1HG2  THR  55          HG21      THR  55  -8.769   5.864  -1.367
  418   2HG2  THR  55          HG22      THR  55  -7.423   5.102  -2.234
  419   3HG2  THR  55          HG23      THR  55  -9.104   4.728  -2.691
  420    H    ALA  56           H        ALA  56  -9.202   4.211   1.849
  421    HA   ALA  56           HA       ALA  56  -9.389   7.017   2.216
  422   1HB   ALA  56           HB1      ALA  56 -10.827   6.440   4.121
  423   2HB   ALA  56           HB2      ALA  56 -11.236   5.509   2.669
  424   3HB   ALA  56           HB3      ALA  56 -10.330   4.737   3.992
  425    H    ASN  57           H        ASN  57  -7.468   4.527   3.838
  426    HA   ASN  57           HA       ASN  57  -6.706   6.198   6.070
  427   1HB   ASN  57           HB2      ASN  57  -6.480   3.443   5.323
  428   2HB   ASN  57           HB3      ASN  57  -4.849   4.019   5.607
  429   1HD2  ASN  57          HD21      ASN  57  -4.225   4.368   7.833
  430   2HD2  ASN  57          HD22      ASN  57  -5.373   4.147   9.139
  431    H    PHE  58           H        PHE  58  -5.056   5.127   3.108
  432    HA   PHE  58           HA       PHE  58  -2.620   6.541   3.303
  433   1HB   PHE  58           HB2      PHE  58  -3.001   4.847   1.638
  434   2HB   PHE  58           HB3      PHE  58  -4.349   5.728   0.940
  435    HD1  PHE  58           HD1      PHE  58  -0.744   5.394   1.021
  436    HD2  PHE  58           HD2      PHE  58  -4.020   7.696  -0.519
  437    HE1  PHE  58           HE1      PHE  58   0.804   6.521  -0.587
  438    HE2  PHE  58           HE2      PHE  58  -2.488   8.846  -2.079
  439    HZ   PHE  58           HZ       PHE  58  -0.067   8.248  -2.126
  440    H    GLU  59           H        GLU  59  -5.710   7.516   1.691
  441    HA   GLU  59           HA       GLU  59  -4.700  10.079   0.978
  442   1HB   GLU  59           HB2      GLU  59  -6.904  10.588   0.212
  443   2HB   GLU  59           HB3      GLU  59  -6.442   8.933  -0.222
  444   1HG   GLU  59           HG2      GLU  59  -8.548   8.478   0.491
  445   2HG   GLU  59           HG3      GLU  59  -7.683   8.354   2.025
  446    H    ALA  60           H        ALA  60  -6.454   8.914   3.828
  447    HA   ALA  60           HA       ALA  60  -7.159  11.160   5.135
  448   1HB   ALA  60           HB1      ALA  60  -7.133   9.976   7.090
  449   2HB   ALA  60           HB2      ALA  60  -6.838   8.603   6.029
  450   3HB   ALA  60           HB3      ALA  60  -5.488   9.363   6.860
  451    H    VAL  61           H        VAL  61  -3.805  10.116   4.652
  452    HA   VAL  61           HA       VAL  61  -2.618  12.271   6.236
  453    HB   VAL  61           HB       VAL  61  -1.468  10.319   4.196
  454   1HG1  VAL  61          HG11      VAL  61   0.735  10.967   5.201
  455   2HG1  VAL  61          HG12      VAL  61  -0.013  12.263   4.266
  456   3HG1  VAL  61          HG13      VAL  61  -0.083  12.304   6.040
  457   1HG2  VAL  61          HG21      VAL  61  -1.205  10.334   7.230
  458   2HG2  VAL  61          HG22      VAL  61  -2.378   9.324   6.358
  459   3HG2  VAL  61          HG23      VAL  61  -0.654   9.091   6.086
  460    H    GLY  62           H        GLY  62  -3.086  11.532   2.775
  461   1HA   GLY  62           HA1      GLY  62  -3.879  13.368   1.368
  462   2HA   GLY  62           HA2      GLY  62  -2.621  14.414   2.043
  463    H    HIS  63           HN       HIS  63  -0.391  13.192   2.009
  464    HA   HIS  63           HA       HIS  63   1.403  12.528   0.867
  465   1HB   HIS  63           HB2      HIS  63  -0.588  10.878  -0.745
  466   2HB   HIS  63           HB3      HIS  63   1.133  10.854  -0.999
  467    HD1  HIS  63           HND      HIS  63  -1.426   9.425   1.468
  468    HD2  HIS  63           HD       HIS  63   2.705   9.768   0.783
  469    HE1  HIS  63           HE       HIS  63  -0.319   7.679   2.917
  470    H    SER  64           H        SER  64   2.752  13.490  -0.561
  471    HA   SER  64           HA       SER  64   1.605  15.607  -2.254
  472   1HB   SER  64           HB2      SER  64   4.152  15.144  -0.851
  473   2HB   SER  64           HB3      SER  64   4.424  15.668  -2.508
  474    HG   SER  64           HG       SER  64   3.099  17.465  -2.102
  475    H    THR  65           H        THR  65   2.848  16.026  -4.439
  476    HA   THR  65           HA       THR  65   2.114  14.102  -6.216
  477    HB   THR  65           HB       THR  65   4.409  16.028  -6.687
  478    HG1  THR  65           HG1      THR  65   2.731  17.567  -6.993
  479   1HG2  THR  65          HG21      THR  65   2.397  14.587  -8.402
  480   2HG2  THR  65          HG22      THR  65   2.828  16.242  -8.862
  481   3HG2  THR  65          HG23      THR  65   4.086  15.003  -8.722
  482    H    ASP  66           H        ASP  66   5.416  14.691  -4.912
  483    HA   ASP  66           HA       ASP  66   6.820  12.792  -6.318
  484   1HB   ASP  66           HB2      ASP  66   7.476  14.523  -4.355
  485   2HB   ASP  66           HB3      ASP  66   7.336  13.100  -3.333
  486    H    ALA  67           H        ALA  67   4.925  12.385  -3.378
  487    HA   ALA  67           HA       ALA  67   5.384   9.564  -3.014
  488   1HB   ALA  67           HB1      ALA  67   4.510  11.109  -1.239
  489   2HB   ALA  67           HB2      ALA  67   2.979  11.177  -2.116
  490   3HB   ALA  67           HB3      ALA  67   3.538   9.633  -1.460
  491    H    ARG  68           H        ARG  68   2.752  11.384  -4.611
  492    HA   ARG  68           HA       ARG  68   1.148   9.146  -5.405
  493   1HB   ARG  68           HB2      ARG  68   1.453  11.976  -6.441
  494   2HB   ARG  68           HB3      ARG  68   0.278  10.849  -7.112
  495   1HG   ARG  68           HG2      ARG  68  -0.958  10.726  -5.099
  496   2HG   ARG  68           HG3      ARG  68   0.331  11.413  -4.118
  497   1HD   ARG  68           HD2      ARG  68  -0.340  13.489  -4.490
  498   2HD   ARG  68           HD3      ARG  68  -0.513  13.274  -6.229
  499    HE   ARG  68           HE       ARG  68  -2.576  13.277  -4.221
  500   1HH1  ARG  68          HH11      ARG  68  -5.108  12.157  -6.439
  501   2HH1  ARG  68          HH12      ARG  68  -4.785  12.924  -4.919
  502   1HH2  ARG  68          HH21      ARG  68  -3.285  11.489  -7.829
  503   2HH2  ARG  68          HH22      ARG  68  -1.671  11.777  -7.247
  504    H    GLU  69           H        GLU  69   4.037  10.599  -6.828
  505    HA   GLU  69           HA       GLU  69   3.855   9.047  -9.335
  506   1HB   GLU  69           HB2      GLU  69   5.534  11.211  -8.183
  507   2HB   GLU  69           HB3      GLU  69   6.255  10.209  -9.445
  508   1HG   GLU  69           HG2      GLU  69   3.484  11.240 -10.009
  509   2HG   GLU  69           HG3      GLU  69   4.791  12.428  -9.978
  510    H    LEU  70           H        LEU  70   5.655   9.035  -6.256
  511    HA   LEU  70           HA       LEU  70   7.453   6.969  -6.955
  512   1HB   LEU  70           HB2      LEU  70   7.766   8.455  -5.066
  513   2HB   LEU  70           HB3      LEU  70   6.327   7.786  -4.296
  514    HG   LEU  70           HG       LEU  70   7.309   6.093  -3.366
  515   1HD1  LEU  70          HD11      LEU  70   7.639   4.691  -5.062
  516   2HD1  LEU  70          HD12      LEU  70   8.840   5.707  -5.906
  517   3HD1  LEU  70          HD13      LEU  70   9.279   4.829  -4.425
  518   1HD2  LEU  70          HD21      LEU  70   9.959   7.363  -4.041
  519   2HD2  LEU  70          HD22      LEU  70   8.810   8.086  -2.883
  520   3HD2  LEU  70          HD23      LEU  70   9.470   6.466  -2.589
  521    H    SER  71           H        SER  71   4.371   6.843  -5.162
  522    HA   SER  71           HA       SER  71   3.949   4.118  -4.849
  523   1HB   SER  71           HB2      SER  71   1.633   4.534  -4.848
  524   2HB   SER  71           HB3      SER  71   2.431   5.940  -4.121
  525    HG   SER  71           HG       SER  71   0.858   5.793  -6.323
  526    H    LYS  72           H        LYS  72   3.176   5.932  -7.859
  527    HA   LYS  72           HA       LYS  72   2.415   3.788  -9.470
  528   1HB   LYS  72           HB2      LYS  72   3.854   6.374 -10.009
  529   2HB   LYS  72           HB3      LYS  72   3.672   5.232 -11.310
  530   1HG   LYS  72           HG2      LYS  72   1.201   5.864  -9.679
  531   2HG   LYS  72           HG3      LYS  72   1.904   7.184 -10.618
  532   1HD   LYS  72           HD2      LYS  72   2.001   5.538 -12.611
  533   2HD   LYS  72           HD3      LYS  72   0.921   4.492 -11.668
  534   1HE   LYS  72           HE2      LYS  72  -0.806   6.219 -11.681
  535   2HE   LYS  72           HE3      LYS  72   0.331   7.435 -12.293
  536   1HZ   LYS  72           HZ1      LYS  72   0.449   6.372 -14.345
  537   2HZ   LYS  72           HZ2      LYS  72  -0.395   5.052 -13.844
  538   3HZ   LYS  72           HZ3      LYS  72  -1.150   6.510 -13.996
  539    H    THR  73           H        THR  73   5.812   4.779  -8.758
  540    HA   THR  73           HA       THR  73   7.021   2.757 -10.431
  541    HB   THR  73           HB       THR  73   7.950   4.739  -8.390
  542    HG1  THR  73           HG1      THR  73   7.944   5.053 -10.649
  543   1HG2  THR  73          HG21      THR  73   9.077   2.831  -7.436
  544   2HG2  THR  73          HG22      THR  73   9.636   2.305  -9.047
  545   3HG2  THR  73          HG23      THR  73  10.221   3.826  -8.345
  546    H    PHE  74           H        PHE  74   5.531   2.625  -7.318
  547    HA   PHE  74           HA       PHE  74   6.570  -0.133  -6.810
  548   1HB   PHE  74           HB2      PHE  74   5.003   1.839  -5.106
  549   2HB   PHE  74           HB3      PHE  74   5.162   0.145  -4.675
  550    HD1  PHE  74           HD1      PHE  74   6.413   3.138  -3.709
  551    HD2  PHE  74           HD2      PHE  74   7.719  -0.786  -4.932
  552    HE1  PHE  74           HE1      PHE  74   8.556   3.460  -2.499
  553    HE2  PHE  74           HE2      PHE  74   9.872  -0.434  -3.764
  554    HZ   PHE  74           HZ       PHE  74  10.281   1.680  -2.532
  555    H    ILE  75           H        ILE  75   4.051   1.282  -8.562
  556    HA   ILE  75           HA       ILE  75   1.848  -0.257  -7.695
  557    HB   ILE  75           HB       ILE  75   2.108   1.674  -9.479
  558   1HG1  ILE  75          HG12      ILE  75  -0.069  -0.383  -9.190
  559   2HG1  ILE  75          HG13      ILE  75   0.141   1.191  -8.407
  560   1HG2  ILE  75          HG21      ILE  75   3.197   0.194 -11.208
  561   2HG2  ILE  75          HG22      ILE  75   1.672  -0.728 -11.291
  562   3HG2  ILE  75          HG23      ILE  75   1.728   0.982 -11.756
  563   1HD1  ILE  75          HD11      ILE  75  -1.488   1.557 -10.039
  564   2HD1  ILE  75          HD12      ILE  75   0.020   2.271 -10.657
  565   3HD1  ILE  75          HD13      ILE  75  -0.558   0.692 -11.280
  566    H    ILE  76           H        ILE  76   1.339  -2.422  -7.938
  567    HA   ILE  76           HA       ILE  76   3.137  -4.067  -9.718
  568    HB   ILE  76           HB       ILE  76   2.141  -5.969  -8.352
  569   1HG1  ILE  76          HG12      ILE  76   1.623  -3.747  -6.322
  570   2HG1  ILE  76          HG13      ILE  76   0.365  -4.493  -7.299
  571   1HG2  ILE  76          HG21      ILE  76   4.000  -4.004  -6.942
  572   2HG2  ILE  76          HG22      ILE  76   3.967  -5.780  -6.771
  573   3HG2  ILE  76          HG23      ILE  76   4.495  -5.059  -8.277
  574   1HD1  ILE  76          HD11      ILE  76   1.147  -5.375  -4.834
  575   2HD1  ILE  76          HD12      ILE  76   0.327  -6.372  -6.062
  576   3HD1  ILE  76          HD13      ILE  76   2.074  -6.458  -5.888
  577    H    GLY  77           H        GLY  77   0.050  -2.669  -9.655
  578   1HA   GLY  77           HA1      GLY  77  -0.739  -3.377 -12.143
  579   2HA   GLY  77           HA2      GLY  77  -1.289  -4.767 -11.176
  580    H    GLU  78           H        GLU  78  -3.443  -4.433 -11.077
  581    HA   GLU  78           HA       GLU  78  -4.395  -2.076  -9.640
  582   1HB   GLU  78           HB2      GLU  78  -4.865  -2.552 -12.512
  583   2HB   GLU  78           HB3      GLU  78  -6.361  -2.503 -11.597
  584   1HG   GLU  78           HG2      GLU  78  -5.255  -0.294 -10.599
  585   2HG   GLU  78           HG3      GLU  78  -4.282  -0.368 -12.077
  586    H    LEU  79           H        LEU  79  -6.719  -2.345  -9.171
  587    HA   LEU  79           HA       LEU  79  -7.077  -4.827  -7.694
  588   1HB   LEU  79           HB2      LEU  79  -7.757  -2.649  -6.791
  589   2HB   LEU  79           HB3      LEU  79  -8.801  -2.379  -8.197
  590    HG   LEU  79           HG       LEU  79 -10.000  -4.609  -7.378
  591   1HD1  LEU  79          HD11      LEU  79  -9.806  -5.187  -5.159
  592   2HD1  LEU  79          HD12      LEU  79  -8.128  -4.842  -5.561
  593   3HD1  LEU  79          HD13      LEU  79  -9.101  -3.623  -4.694
  594   1HD2  LEU  79          HD21      LEU  79 -11.312  -2.735  -7.483
  595   2HD2  LEU  79          HD22      LEU  79 -11.324  -3.034  -5.753
  596   3HD2  LEU  79          HD23      LEU  79 -10.270  -1.789  -6.379
  597    H    HIS  80           H        HIS  80  -8.377  -6.537  -8.301
  598    HA   HIS  80           HA       HIS  80  -9.106  -6.976 -10.974
  599   1HB   HIS  80           HB2      HIS  80  -8.861  -8.556  -8.920
  600   2HB   HIS  80           HB3      HIS  80 -10.589  -8.282  -8.695
  601    HD1  HIS  80           HD1      HIS  80 -12.062  -9.840 -10.289
  602    HD2  HIS  80           HD2      HIS  80  -7.964  -9.755 -11.177
  603    HE1  HIS  80           HE1      HIS  80 -11.698 -11.555 -12.101
  604    HA   PRO  81           HA       PRO  81 -12.892  -4.710 -11.385
  605   1HB   PRO  81           HB2      PRO  81 -13.999  -5.953 -13.579
  606   2HB   PRO  81           HB3      PRO  81 -12.662  -4.774 -13.642
  607   1HG   PRO  81           HG2      PRO  81 -12.505  -7.770 -13.826
  608   2HG   PRO  81           HG3      PRO  81 -11.517  -6.542 -14.673
  609   1HD   PRO  81           HD2      PRO  81 -10.730  -7.971 -12.473
  610   2HD   PRO  81           HD3      PRO  81 -10.050  -6.385 -12.923
  611    H    ASP  82           H        ASP  82 -12.737  -8.027 -10.516
  612    HA   ASP  82           HA       ASP  82 -15.588  -8.477 -10.205
  613   1HB   ASP  82           HB2      ASP  82 -13.917 -10.305 -10.498
  614   2HB   ASP  82           HB3      ASP  82 -13.259  -9.901  -8.865
  615    H    ASP  83           H        ASP  83 -12.975  -7.114  -8.237
  616    HA   ASP  83           HA       ASP  83 -14.340  -7.133  -5.691
  617   1HB   ASP  83           HB2      ASP  83 -11.924  -6.939  -5.869
  618   2HB   ASP  83           HB3      ASP  83 -12.086  -5.450  -6.817
  619    H    ARG  84           H        ARG  84 -13.957  -4.849  -8.334
  620    HA   ARG  84           HA       ARG  84 -15.160  -2.585  -7.250
  621   1HB   ARG  84           HB2      ARG  84 -14.438  -3.571  -9.960
  622   2HB   ARG  84           HB3      ARG  84 -15.760  -2.406  -9.968
  623   1HG   ARG  84           HG2      ARG  84 -14.542  -0.751  -8.848
  624   2HG   ARG  84           HG3      ARG  84 -13.246  -1.874  -8.388
  625   1HD   ARG  84           HD2      ARG  84 -13.941  -1.176 -11.258
  626   2HD   ARG  84           HD3      ARG  84 -12.744  -0.254 -10.318
  627    HE   ARG  84           HE       ARG  84 -11.903  -2.867 -10.030
  628   1HH1  ARG  84          HH11      ARG  84 -10.057  -3.285 -13.018
  629   2HH1  ARG  84          HH12      ARG  84 -10.102  -3.662 -11.335
  630   1HH2  ARG  84          HH21      ARG  84 -11.388  -1.532 -13.847
  631   2HH2  ARG  84          HH22      ARG  84 -12.583  -0.812 -12.810
  632    HHA  HEM 201           HGM      HEM 201   4.517  11.072   4.813
  633    HHB  HEM 201           HDM      HEM 201   5.697   7.871  -0.673
  634    HHC  HEM 201           HAM      HEM 201   1.238   3.513   0.942
  635    HHD  HEM 201           HBM      HEM 201   0.402   6.489   6.622
  636   1HMA  HEM 201          HM81      HEM 201   6.968  11.372   0.059
  637   2HMA  HEM 201          HM82      HEM 201   7.830   9.845   0.310
  638   3HMA  HEM 201          HM83      HEM 201   6.517   9.956  -0.871
  639   1HAA  HEM 201          HAA1      HEM 201   6.558  12.479   1.886
  640   2HAA  HEM 201          HAA2      HEM 201   5.110  12.585   2.865
  641   1HBA  HEM 201          HBA1      HEM 201   7.941  12.103   3.675
  642   2HBA  HEM 201          HBA2      HEM 201   6.723  11.214   4.585
  643   1HMB  HEM 201          HM11      HEM 201   5.901   5.291  -1.919
  644   2HMB  HEM 201          HM12      HEM 201   4.467   4.997  -2.899
  645   3HMB  HEM 201          HM13      HEM 201   4.989   6.659  -2.621
  646    HAB  HEM 201          HT2A      HEM 201   2.821   2.644  -1.188
  647   1HBB  HEM 201          HV2C      HEM 201   1.194   4.816  -2.464
  648   2HBB  HEM 201          HV2T      HEM 201   1.218   2.962  -2.776
  649   1HMC  HEM 201          HM31      HEM 201  -0.486   2.004   3.442
  650   2HMC  HEM 201          HM32      HEM 201  -1.816   3.136   3.156
  651   3HMC  HEM 201          HM33      HEM 201  -0.690   2.764   1.849
  652    HAC  HEM 201          HT4A      HEM 201  -1.235   3.356   5.957
  653   1HBC  HEM 201          HV4C      HEM 201  -1.925   6.327   5.582
  654   2HBC  HEM 201          HV4T      HEM 201  -2.943   5.021   6.419
  655   1HMD  HEM 201          HM51      HEM 201   1.966   7.596   8.718
  656   2HMD  HEM 201          HM52      HEM 201   1.606   9.319   8.875
  657   3HMD  HEM 201          HM53      HEM 201   0.385   8.237   8.207
  658   1HAD  HEM 201          HAD1      HEM 201   3.810  10.141   8.341
  659   2HAD  HEM 201          HAD2      HEM 201   4.405  11.113   7.020
  660   1HBD  HEM 201          HBD1      HEM 201   2.743  12.632   7.184
  661   2HBD  HEM 201          HBD2      HEM 201   1.536  11.440   7.686
  Start of MODEL   26
    1   1H    ALA   3           H1       ALA   3   2.574  -2.930 -18.211
    2   2H    ALA   3           H2       ALA   3   3.966  -3.441 -17.535
    3   3H    ALA   3           H3       ALA   3   3.713  -3.711 -19.158
    4    HA   ALA   3           HA       ALA   3   2.164  -5.341 -18.802
    5   1HB   ALA   3           HB1      ALA   3   3.001  -6.832 -17.003
    6   2HB   ALA   3           HB2      ALA   3   4.360  -6.134 -17.902
    7   3HB   ALA   3           HB3      ALA   3   3.927  -5.491 -16.303
    8    H    VAL   4           H        VAL   4   0.691  -6.442 -16.926
    9    HA   VAL   4           HA       VAL   4  -0.183  -4.741 -14.821
   10    HB   VAL   4           HB       VAL   4  -1.292  -3.576 -16.728
   11   1HG1  VAL   4          HG11      VAL   4  -3.027  -4.646 -18.056
   12   2HG1  VAL   4          HG12      VAL   4  -1.498  -5.502 -18.299
   13   3HG1  VAL   4          HG13      VAL   4  -2.755  -6.201 -17.256
   14   1HG2  VAL   4          HG21      VAL   4  -3.337  -5.090 -15.061
   15   2HG2  VAL   4          HG22      VAL   4  -2.403  -3.681 -14.506
   16   3HG2  VAL   4          HG23      VAL   4  -3.532  -3.526 -15.862
   17    H    LYS   5           H        LYS   5  -1.641  -5.998 -13.451
   18    HA   LYS   5           HA       LYS   5  -2.770  -8.452 -14.396
   19   1HB   LYS   5           HB2      LYS   5  -0.161  -8.647 -13.213
   20   2HB   LYS   5           HB3      LYS   5  -1.295  -9.134 -11.949
   21   1HG   LYS   5           HG2      LYS   5  -2.324 -10.774 -13.494
   22   2HG   LYS   5           HG3      LYS   5  -1.222 -10.240 -14.787
   23   1HD   LYS   5           HD2      LYS   5   0.722 -10.908 -13.346
   24   2HD   LYS   5           HD3      LYS   5  -0.424 -11.536 -12.140
   25   1HE   LYS   5           HE2      LYS   5  -1.342 -13.113 -13.859
   26   2HE   LYS   5           HE3      LYS   5  -0.195 -12.476 -15.050
   27   1HZ   LYS   5           HZ1      LYS   5   1.595 -13.284 -13.654
   28   2HZ   LYS   5           HZ2      LYS   5   0.518 -13.903 -12.572
   29   3HZ   LYS   5           HZ3      LYS   5   0.590 -14.504 -14.099
   30    H    TYR   6           H        TYR   6  -4.718  -8.697 -13.195
   31    HA   TYR   6           HA       TYR   6  -5.166  -6.631 -11.173
   32   1HB   TYR   6           HB2      TYR   6  -7.138  -8.735 -12.027
   33   2HB   TYR   6           HB3      TYR   6  -7.391  -7.181 -11.247
   34    HD1  TYR   6           HD1      TYR   6  -7.009  -5.030 -12.508
   35    HD2  TYR   6           HD2      TYR   6  -7.030  -8.880 -14.447
   36    HE1  TYR   6           HE1      TYR   6  -7.165  -3.915 -14.710
   37    HE2  TYR   6           HE2      TYR   6  -7.208  -7.763 -16.654
   38    HH   TYR   6           HH       TYR   6  -7.317  -4.209 -16.994
   39    H    TYR   7           H        TYR   7  -5.744  -7.155  -8.979
   40    HA   TYR   7           HA       TYR   7  -5.207  -9.964  -8.093
   41   1HB   TYR   7           HB2      TYR   7  -4.400  -7.445  -6.619
   42   2HB   TYR   7           HB3      TYR   7  -4.058  -9.108  -6.166
   43    HD1  TYR   7           HD1      TYR   7  -2.662 -10.510  -7.954
   44    HD2  TYR   7           HD2      TYR   7  -2.774  -6.205  -7.788
   45    HE1  TYR   7           HE1      TYR   7  -0.534 -10.401  -9.216
   46    HE2  TYR   7           HE2      TYR   7  -0.646  -6.108  -9.038
   47    HH   TYR   7           HH       TYR   7   1.124  -9.021 -10.062
   48    H    THR   8           H        THR   8  -6.715 -10.764  -6.658
   49    HA   THR   8           HA       THR   8  -9.172  -9.242  -6.271
   50    HB   THR   8           HB       THR   8  -9.973 -11.228  -5.171
   51    HG1  THR   8           HG1      THR   8  -7.741 -12.796  -5.418
   52   1HG2  THR   8          HG21      THR   8  -9.675 -12.944  -6.891
   53   2HG2  THR   8          HG22      THR   8  -9.913 -11.354  -7.634
   54   3HG2  THR   8          HG23      THR   8  -8.290 -12.082  -7.578
   55    H    LEU   9           H        LEU   9 -10.049  -8.723  -4.167
   56    HA   LEU   9           HA       LEU   9  -8.331  -7.482  -2.339
   57   1HB   LEU   9           HB2      LEU   9 -11.008  -7.651  -2.657
   58   2HB   LEU   9           HB3      LEU   9 -10.868  -8.729  -1.286
   59    HG   LEU   9           HG       LEU   9  -9.584  -5.951  -1.297
   60   1HD1  LEU   9          HD11      LEU   9 -12.415  -6.688  -0.489
   61   2HD1  LEU   9          HD12      LEU   9 -11.591  -5.177  -0.032
   62   3HD1  LEU   9          HD13      LEU   9 -11.886  -5.534  -1.733
   63   1HD2  LEU   9          HD21      LEU   9  -8.810  -7.495   0.490
   64   2HD2  LEU   9          HD22      LEU   9  -9.783  -6.188   1.169
   65   3HD2  LEU   9          HD23      LEU   9 -10.497  -7.800   0.962
   66    H    GLU  10           H        GLU  10  -9.667 -10.745  -2.371
   67    HA   GLU  10           HA       GLU  10  -8.525 -11.868  -0.086
   68   1HB   GLU  10           HB2      GLU  10 -10.121 -12.996  -1.617
   69   2HB   GLU  10           HB3      GLU  10  -8.830 -13.251  -2.774
   70   1HG   GLU  10           HG2      GLU  10  -9.205 -15.271  -1.450
   71   2HG   GLU  10           HG3      GLU  10  -7.586 -14.635  -1.158
   72    H    GLU  11           H        GLU  11  -7.105 -12.151  -3.381
   73    HA   GLU  11           HA       GLU  11  -4.621 -13.184  -2.767
   74   1HB   GLU  11           HB2      GLU  11  -5.731 -11.503  -4.951
   75   2HB   GLU  11           HB3      GLU  11  -4.023 -11.252  -4.698
   76   1HG   GLU  11           HG2      GLU  11  -4.346 -12.985  -6.364
   77   2HG   GLU  11           HG3      GLU  11  -3.577 -13.668  -4.924
   78    H    ILE  12           H        ILE  12  -5.500  -9.721  -2.791
   79    HA   ILE  12           HA       ILE  12  -2.919  -8.804  -1.991
   80    HB   ILE  12           HB       ILE  12  -5.636  -7.483  -1.683
   81   1HG1  ILE  12          HG12      ILE  12  -3.601  -6.985  -3.905
   82   2HG1  ILE  12          HG13      ILE  12  -4.781  -8.257  -4.081
   83   1HG2  ILE  12          HG21      ILE  12  -3.822  -6.346  -0.353
   84   2HG2  ILE  12          HG22      ILE  12  -2.873  -6.224  -1.850
   85   3HG2  ILE  12          HG23      ILE  12  -4.384  -5.342  -1.706
   86   1HD1  ILE  12          HD11      ILE  12  -5.702  -6.344  -5.144
   87   2HD1  ILE  12          HD12      ILE  12  -6.610  -6.618  -3.661
   88   3HD1  ILE  12          HD13      ILE  12  -5.385  -5.324  -3.739
   89    H    GLN  13           H        GLN  13  -5.841  -9.643  -0.084
   90    HA   GLN  13           HA       GLN  13  -4.856  -9.062   2.492
   91   1HB   GLN  13           HB2      GLN  13  -7.128 -10.590   1.333
   92   2HB   GLN  13           HB3      GLN  13  -6.632 -11.081   2.932
   93   1HG   GLN  13           HG2      GLN  13  -7.144  -8.166   2.258
   94   2HG   GLN  13           HG3      GLN  13  -8.427  -9.286   2.734
   95   1HE2  GLN  13          HE21      GLN  13  -8.893  -8.114   4.677
   96   2HE2  GLN  13          HE22      GLN  13  -7.807  -8.217   6.052
   97    H    LYS  14           H        LYS  14  -4.145 -11.808   0.348
   98    HA   LYS  14           HA       LYS  14  -3.137 -13.462   2.505
   99   1HB   LYS  14           HB2      LYS  14  -2.468 -13.608  -0.455
  100   2HB   LYS  14           HB3      LYS  14  -2.105 -14.780   0.824
  101   1HG   LYS  14           HG2      LYS  14  -4.534 -15.109   1.249
  102   2HG   LYS  14           HG3      LYS  14  -4.906 -13.958  -0.012
  103   1HD   LYS  14           HD2      LYS  14  -5.247 -16.148  -0.841
  104   2HD   LYS  14           HD3      LYS  14  -3.952 -15.399  -1.756
  105   1HE   LYS  14           HE2      LYS  14  -3.371 -17.195   0.654
  106   2HE   LYS  14           HE3      LYS  14  -3.753 -17.904  -0.919
  107   1HZ   LYS  14           HZ1      LYS  14  -1.909 -16.810  -1.881
  108   2HZ   LYS  14           HZ2      LYS  14  -1.540 -16.020  -0.492
  109   3HZ   LYS  14           HZ3      LYS  14  -1.389 -17.654  -0.566
  110    H    HIS  15           H        HIS  15  -1.921 -10.513   1.260
  111    HA   HIS  15           HA       HIS  15   0.892 -11.183   2.015
  112   1HB   HIS  15           HB2      HIS  15  -0.325  -8.688   0.750
  113   2HB   HIS  15           HB3      HIS  15   1.342  -8.853   1.256
  114    HD1  HIS  15           HD1      HIS  15   2.758  -9.116  -0.854
  115    HD2  HIS  15           HD2      HIS  15  -0.769 -11.414  -0.885
  116    HE1  HIS  15           HE1      HIS  15   2.903 -10.676  -2.855
  117    H    ASN  16           H        ASN  16   0.892  -8.245   3.087
  118    HA   ASN  16           HA       ASN  16   0.740  -7.265   5.160
  119   1HB   ASN  16           HB2      ASN  16  -1.597  -6.786   5.752
  120   2HB   ASN  16           HB3      ASN  16  -1.292  -6.674   4.007
  121   1HD2  ASN  16          HD21      ASN  16  -2.971  -8.558   6.505
  122   2HD2  ASN  16          HD22      ASN  16  -4.097  -9.265   5.324
  123    H    ASN  17           H        ASN  17   1.669  -9.812   5.544
  124    HA   ASN  17           HA       ASN  17   0.041 -10.975   7.757
  125   1HB   ASN  17           HB2      ASN  17   0.942 -12.146   5.446
  126   2HB   ASN  17           HB3      ASN  17   2.243 -12.585   6.547
  127   1HD2  ASN  17          HD21      ASN  17   1.842 -14.594   7.536
  128   2HD2  ASN  17          HD22      ASN  17   0.224 -15.186   7.872
  129    H    SER  18           H        SER  18   3.353 -10.112   6.917
  130    HA   SER  18           HA       SER  18   4.035  -9.251   9.533
  131   1HB   SER  18           HB2      SER  18   5.090 -12.001   8.731
  132   2HB   SER  18           HB3      SER  18   6.007 -10.922   9.797
  133    HG   SER  18           HG       SER  18   3.310 -11.503  10.358
  134    H    LYS  19           H        LYS  19   5.591 -10.850   6.734
  135    HA   LYS  19           HA       LYS  19   7.548  -8.660   6.480
  136   1HB   LYS  19           HB2      LYS  19   8.021 -11.204   6.439
  137   2HB   LYS  19           HB3      LYS  19   7.371 -11.186   4.797
  138   1HG   LYS  19           HG2      LYS  19   9.069  -9.379   4.255
  139   2HG   LYS  19           HG3      LYS  19   9.777  -9.618   5.853
  140   1HD   LYS  19           HD2      LYS  19   9.432 -11.780   3.714
  141   2HD   LYS  19           HD3      LYS  19  10.912 -10.861   3.918
  142   1HE   LYS  19           HE2      LYS  19   9.720 -12.645   6.112
  143   2HE   LYS  19           HE3      LYS  19  10.881 -13.204   4.914
  144   1HZ   LYS  19           HZ1      LYS  19  12.464 -11.626   5.717
  145   2HZ   LYS  19           HZ2      LYS  19  11.404 -11.032   6.829
  146   3HZ   LYS  19           HZ3      LYS  19  11.946 -12.578   6.948
  147    H    SER  20           H        SER  20   5.293 -10.481   4.295
  148    HA   SER  20           HA       SER  20   5.371  -8.702   2.098
  149   1HB   SER  20           HB2      SER  20   3.242 -10.019   1.567
  150   2HB   SER  20           HB3      SER  20   4.730 -10.938   1.795
  151    HG   SER  20           HG       SER  20   2.730 -10.516   3.765
  152    H    THR  21           H        THR  21   4.102  -6.880   1.601
  153    HA   THR  21           HA       THR  21   1.738  -6.194   3.199
  154    HB   THR  21           HB       THR  21   4.341  -4.661   3.378
  155    HG1  THR  21           HG1      THR  21   3.380  -6.291   4.930
  156   1HG2  THR  21          HG21      THR  21   2.707  -2.945   4.598
  157   2HG2  THR  21          HG22      THR  21   3.097  -2.814   2.874
  158   3HG2  THR  21          HG23      THR  21   1.566  -3.531   3.380
  159    H    TRP  22           H        TRP  22   0.359  -6.074   1.555
  160    HA   TRP  22           HA       TRP  22   0.864  -4.168  -0.651
  161   1HB   TRP  22           HB2      TRP  22  -0.758  -6.755  -0.623
  162   2HB   TRP  22           HB3      TRP  22  -0.822  -5.512  -1.856
  163    HD1  TRP  22           HD1      TRP  22   2.729  -6.033  -1.089
  164    HE1  TRP  22           HE1      TRP  22   3.850  -7.243  -2.968
  165    HE3  TRP  22           HE3      TRP  22  -1.458  -7.782  -3.430
  166    HZ2  TRP  22           HZ2      TRP  22   3.037  -8.900  -5.243
  167    HZ3  TRP  22           HZ3      TRP  22  -1.260  -9.251  -5.399
  168    HH2  TRP  22           HH2      TRP  22   0.983  -9.798  -6.344
  169    H    LEU  23           H        LEU  23  -1.242  -3.233  -1.373
  170    HA   LEU  23           HA       LEU  23  -3.544  -3.268   0.337
  171   1HB   LEU  23           HB2      LEU  23  -3.229  -0.730   0.877
  172   2HB   LEU  23           HB3      LEU  23  -2.560  -1.973   1.909
  173    HG   LEU  23           HG       LEU  23  -0.313  -1.687   0.837
  174   1HD1  LEU  23          HD11      LEU  23  -1.666   0.663  -0.554
  175   2HD1  LEU  23          HD12      LEU  23   0.073   0.391  -0.474
  176   3HD1  LEU  23          HD13      LEU  23  -0.938  -0.752  -1.354
  177   1HD2  LEU  23          HD21      LEU  23  -0.795  -0.567   2.901
  178   2HD2  LEU  23          HD22      LEU  23   0.117   0.522   1.820
  179   3HD2  LEU  23          HD23      LEU  23  -1.641   0.740   2.035
  180    H    ILE  24           H        ILE  24  -5.138  -1.581  -0.359
  181    HA   ILE  24           HA       ILE  24  -4.904  -1.057  -3.287
  182    HB   ILE  24           HB       ILE  24  -7.347  -1.597  -1.573
  183   1HG1  ILE  24          HG12      ILE  24  -6.405  -2.976  -4.126
  184   2HG1  ILE  24          HG13      ILE  24  -5.914  -3.515  -2.515
  185   1HG2  ILE  24          HG21      ILE  24  -8.040   0.165  -3.026
  186   2HG2  ILE  24          HG22      ILE  24  -7.030  -0.431  -4.363
  187   3HG2  ILE  24          HG23      ILE  24  -8.510  -1.282  -3.903
  188   1HD1  ILE  24          HD11      ILE  24  -7.837  -4.832  -3.155
  189   2HD1  ILE  24          HD12      ILE  24  -8.320  -3.743  -1.862
  190   3HD1  ILE  24          HD13      ILE  24  -8.789  -3.391  -3.523
  191    H    LEU  25           H        LEU  25  -4.471   0.998  -3.675
  192    HA   LEU  25           HA       LEU  25  -5.779   3.169  -2.073
  193   1HB   LEU  25           HB2      LEU  25  -3.178   3.052  -3.571
  194   2HB   LEU  25           HB3      LEU  25  -3.971   4.551  -3.117
  195    HG   LEU  25           HG       LEU  25  -3.167   4.622  -1.131
  196   1HD1  LEU  25          HD11      LEU  25  -2.959   2.831   0.477
  197   2HD1  LEU  25          HD12      LEU  25  -4.574   3.013  -0.236
  198   3HD1  LEU  25          HD13      LEU  25  -3.528   1.677  -0.756
  199   1HD2  LEU  25          HD21      LEU  25  -1.245   2.445  -2.008
  200   2HD2  LEU  25          HD22      LEU  25  -1.164   4.152  -2.481
  201   3HD2  LEU  25          HD23      LEU  25  -0.953   3.685  -0.792
  202    H    HIS  26           H        HIS  26  -7.612   3.504  -3.237
  203    HA   HIS  26           HA       HIS  26  -8.980   4.115  -4.924
  204   1HB   HIS  26           HB2      HIS  26  -6.515   5.182  -6.324
  205   2HB   HIS  26           HB3      HIS  26  -8.191   5.664  -6.587
  206    HD1  HIS  26           HD1      HIS  26  -9.296   7.218  -4.582
  207    HD2  HIS  26           HD2      HIS  26  -5.235   6.195  -4.249
  208    HE1  HIS  26           HE1      HIS  26  -8.314   8.727  -2.772
  209    H    TYR  27           H        TYR  27  -8.557   1.532  -4.984
  210    HA   TYR  27           HA       TYR  27  -8.710  -0.362  -6.187
  211   1HB   TYR  27           HB2      TYR  27  -9.090   1.290  -8.686
  212   2HB   TYR  27           HB3      TYR  27  -9.642  -0.347  -8.358
  213    HD1  TYR  27           HD1      TYR  27 -10.930  -0.002  -5.637
  214    HD2  TYR  27           HD2      TYR  27 -11.147   2.302  -9.280
  215    HE1  TYR  27           HE1      TYR  27 -13.301   0.509  -5.187
  216    HE2  TYR  27           HE2      TYR  27 -13.503   2.857  -8.777
  217    HH   TYR  27           HH       TYR  27 -15.235   2.693  -7.246
  218    H    LYS  28           H        LYS  28  -6.008   1.405  -6.274
  219    HA   LYS  28           HA       LYS  28  -4.652  -0.189  -8.389
  220   1HB   LYS  28           HB2      LYS  28  -4.752   2.455  -8.244
  221   2HB   LYS  28           HB3      LYS  28  -3.585   2.233  -6.961
  222   1HG   LYS  28           HG2      LYS  28  -2.167   2.525  -8.783
  223   2HG   LYS  28           HG3      LYS  28  -2.283   0.766  -8.679
  224   1HD   LYS  28           HD2      LYS  28  -2.572   1.289 -10.991
  225   2HD   LYS  28           HD3      LYS  28  -4.192   0.958 -10.379
  226   1HE   LYS  28           HE2      LYS  28  -4.619   3.416 -10.196
  227   2HE   LYS  28           HE3      LYS  28  -2.999   3.724 -10.842
  228   1HZ   LYS  28           HZ1      LYS  28  -4.820   3.780 -12.507
  229   2HZ   LYS  28           HZ2      LYS  28  -3.681   2.644 -12.874
  230   3HZ   LYS  28           HZ3      LYS  28  -5.088   2.173 -12.263
  231    H    VAL  29           H        VAL  29  -3.107  -1.697  -7.707
  232    HA   VAL  29           HA       VAL  29  -2.841  -2.041  -4.777
  233    HB   VAL  29           HB       VAL  29  -1.954  -4.012  -6.863
  234   1HG1  VAL  29          HG11      VAL  29  -2.144  -5.566  -5.017
  235   2HG1  VAL  29          HG12      VAL  29  -1.219  -4.186  -4.402
  236   3HG1  VAL  29          HG13      VAL  29  -2.928  -4.352  -3.985
  237   1HG2  VAL  29          HG21      VAL  29  -4.705  -3.629  -5.630
  238   2HG2  VAL  29          HG22      VAL  29  -4.268  -3.653  -7.353
  239   3HG2  VAL  29          HG23      VAL  29  -4.158  -5.132  -6.396
  240    H    TYR  30           H        TYR  30  -0.934  -1.677  -3.786
  241    HA   TYR  30           HA       TYR  30   1.515  -1.107  -5.421
  242   1HB   TYR  30           HB2      TYR  30   0.383   0.248  -2.952
  243   2HB   TYR  30           HB3      TYR  30   2.007   0.525  -3.520
  244    HD1  TYR  30           HD1      TYR  30   2.270   1.374  -5.977
  245    HD2  TYR  30           HD2      TYR  30  -1.531   1.320  -3.983
  246    HE1  TYR  30           HE1      TYR  30   1.339   2.984  -7.648
  247    HE2  TYR  30           HE2      TYR  30  -2.311   3.182  -5.457
  248    HH   TYR  30           HH       TYR  30  -1.762   4.641  -7.107
  249    H    ASP  31           H        ASP  31   3.250  -2.367  -4.894
  250    HA   ASP  31           HA       ASP  31   3.155  -4.000  -2.390
  251   1HB   ASP  31           HB2      ASP  31   3.958  -5.191  -4.411
  252   2HB   ASP  31           HB3      ASP  31   5.236  -3.980  -4.613
  253    H    LEU  32           H        LEU  32   4.251  -3.254  -0.609
  254    HA   LEU  32           HA       LEU  32   6.506  -1.388  -1.043
  255   1HB   LEU  32           HB2      LEU  32   4.474  -1.012   1.106
  256   2HB   LEU  32           HB3      LEU  32   5.726   0.111   0.739
  257    HG   LEU  32           HG       LEU  32   3.584  -0.399  -1.374
  258   1HD1  LEU  32          HD11      LEU  32   3.318   1.664   0.785
  259   2HD1  LEU  32          HD12      LEU  32   2.172   1.215  -0.508
  260   3HD1  LEU  32          HD13      LEU  32   2.484   0.082   0.791
  261   1HD2  LEU  32          HD21      LEU  32   4.302   1.710  -2.215
  262   2HD2  LEU  32          HD22      LEU  32   5.189   2.098  -0.721
  263   3HD2  LEU  32          HD23      LEU  32   5.783   0.833  -1.810
  264    H    THR  33           H        THR  33   6.232  -4.285  -0.488
  265    HA   THR  33           HA       THR  33   6.408  -4.775   2.349
  266    HB   THR  33           HB       THR  33   5.847  -6.506   0.702
  267    HG1  THR  33           HG1      THR  33   6.891  -6.946   2.867
  268   1HG2  THR  33          HG21      THR  33   8.780  -6.880   0.075
  269   2HG2  THR  33          HG22      THR  33   7.352  -7.711  -0.582
  270   3HG2  THR  33          HG23      THR  33   7.678  -6.035  -1.017
  271    H    LYS  34           H        LYS  34   8.765  -4.160  -0.143
  272    HA   LYS  34           HA       LYS  34  11.009  -4.308   1.788
  273   1HB   LYS  34           HB2      LYS  34  10.668  -5.045  -0.921
  274   2HB   LYS  34           HB3      LYS  34  11.670  -3.614  -1.019
  275   1HG   LYS  34           HG2      LYS  34  12.480  -5.662   1.042
  276   2HG   LYS  34           HG3      LYS  34  12.512  -6.191  -0.644
  277   1HD   LYS  34           HD2      LYS  34  14.020  -4.406  -1.283
  278   2HD   LYS  34           HD3      LYS  34  13.825  -3.598   0.273
  279   1HE   LYS  34           HE2      LYS  34  15.993  -4.779   0.124
  280   2HE   LYS  34           HE3      LYS  34  14.992  -5.370   1.455
  281   1HZ   LYS  34           HZ1      LYS  34  14.390  -7.251   0.096
  282   2HZ   LYS  34           HZ2      LYS  34  15.296  -6.696  -1.163
  283   3HZ   LYS  34           HZ3      LYS  34  16.023  -7.155   0.238
  284    H    PHE  35           H        PHE  35   8.813  -2.158   1.664
  285    HA   PHE  35           HA       PHE  35  10.669   0.173   1.786
  286   1HB   PHE  35           HB2      PHE  35   8.751  -0.102  -0.146
  287   2HB   PHE  35           HB3      PHE  35   7.777   0.421   1.154
  288    HD1  PHE  35           HD1      PHE  35   7.189   2.696   0.861
  289    HD2  PHE  35           HD2      PHE  35  11.259   1.465   0.066
  290    HE1  PHE  35           HE1      PHE  35   7.852   5.059   0.518
  291    HE2  PHE  35           HE2      PHE  35  11.919   3.813  -0.193
  292    HZ   PHE  35           HZ       PHE  35  10.221   5.628  -0.003
  293    H    LEU  36           H        LEU  36   8.841  -1.963   3.646
  294    HA   LEU  36           HA       LEU  36   7.204  -0.393   5.223
  295   1HB   LEU  36           HB2      LEU  36   8.966  -2.804   5.830
  296   2HB   LEU  36           HB3      LEU  36   7.869  -2.146   7.035
  297    HG   LEU  36           HG       LEU  36   6.966  -3.109   4.285
  298   1HD1  LEU  36          HD11      LEU  36   6.126  -5.085   5.522
  299   2HD1  LEU  36          HD12      LEU  36   7.894  -4.947   5.599
  300   3HD1  LEU  36          HD13      LEU  36   6.906  -4.481   7.001
  301   1HD2  LEU  36          HD21      LEU  36   4.736  -3.166   5.545
  302   2HD2  LEU  36          HD22      LEU  36   5.500  -2.154   6.780
  303   3HD2  LEU  36          HD23      LEU  36   5.345  -1.568   5.106
  304    H    GLU  37           H        GLU  37  10.580  -1.214   6.041
  305    HA   GLU  37           HA       GLU  37  10.705   0.512   8.302
  306   1HB   GLU  37           HB2      GLU  37  12.180  -1.559   7.526
  307   2HB   GLU  37           HB3      GLU  37  13.162  -0.305   6.749
  308   1HG   GLU  37           HG2      GLU  37  13.368   0.808   9.000
  309   2HG   GLU  37           HG3      GLU  37  12.429  -0.526   9.702
  310    H    GLU  38           H        GLU  38  11.439   0.931   4.878
  311    HA   GLU  38           HA       GLU  38  12.952   3.332   4.979
  312   1HB   GLU  38           HB2      GLU  38  11.232   2.084   2.812
  313   2HB   GLU  38           HB3      GLU  38  12.330   3.397   2.547
  314   1HG   GLU  38           HG2      GLU  38  14.129   1.773   3.643
  315   2HG   GLU  38           HG3      GLU  38  12.976   0.512   3.180
  316    H    HIS  39           HN       HIS  39   9.490   2.677   4.526
  317    HA   HIS  39           HA       HIS  39   8.745   5.234   3.688
  318   1HB   HIS  39           HB2      HIS  39   7.317   3.368   3.334
  319   2HB   HIS  39           HB3      HIS  39   7.199   3.057   5.069
  320    HD1  HIS  39           HND      HIS  39   5.189   4.074   6.257
  321    HD2  HIS  39           HD       HIS  39   6.026   5.802   2.508
  322    HE1  HIS  39           HE       HIS  39   3.253   5.596   5.724
  323    HA   PRO  40           HA       PRO  40   9.636   7.242   7.593
  324   1HB   PRO  40           HB2      PRO  40   8.849   9.821   7.047
  325   2HB   PRO  40           HB3      PRO  40  10.325   9.065   6.381
  326   1HG   PRO  40           HG2      PRO  40   7.612   9.281   5.046
  327   2HG   PRO  40           HG3      PRO  40   9.205   9.722   4.362
  328   1HD   PRO  40           HD2      PRO  40   8.073   7.340   3.824
  329   2HD   PRO  40           HD3      PRO  40   9.834   7.425   4.144
  330    H    GLY  41           H        GLY  41   6.398   7.274   6.161
  331   1HA   GLY  41           HA1      GLY  41   4.962   8.255   8.428
  332   2HA   GLY  41           HA2      GLY  41   4.333   7.227   7.137
  333    H    GLY  42           H        GLY  42   6.778   5.318   8.121
  334   1HA   GLY  42           HA1      GLY  42   7.222   4.109  10.047
  335   2HA   GLY  42           HA2      GLY  42   5.612   4.412  10.699
  336    H    GLU  43           H        GLU  43   7.340   1.907   9.977
  337    HA   GLU  43           HA       GLU  43   5.998   0.457   7.994
  338   1HB   GLU  43           HB2      GLU  43   6.941  -1.500   8.927
  339   2HB   GLU  43           HB3      GLU  43   8.159  -0.238   8.965
  340   1HG   GLU  43           HG2      GLU  43   8.047  -0.044  11.343
  341   2HG   GLU  43           HG3      GLU  43   6.550  -0.983  11.458
  342    H    ALA  44           H        ALA  44   5.253   0.864  11.432
  343    HA   ALA  44           HA       ALA  44   3.315  -1.132  11.726
  344   1HB   ALA  44           HB1      ALA  44   4.311   0.082  13.614
  345   2HB   ALA  44           HB2      ALA  44   3.471   1.573  13.131
  346   3HB   ALA  44           HB3      ALA  44   2.540   0.163  13.679
  347    H    VAL  45           H        VAL  45   2.833   2.323  10.884
  348    HA   VAL  45           HA       VAL  45   0.013   2.236  10.512
  349    HB   VAL  45           HB       VAL  45   2.236   3.997   9.404
  350   1HG1  VAL  45          HG11      VAL  45  -0.762   4.288   8.974
  351   2HG1  VAL  45          HG12      VAL  45   0.420   5.592   8.744
  352   3HG1  VAL  45          HG13      VAL  45   0.512   4.145   7.735
  353   1HG2  VAL  45          HG21      VAL  45   1.720   4.149  11.846
  354   2HG2  VAL  45          HG22      VAL  45   1.291   5.634  10.984
  355   3HG2  VAL  45          HG23      VAL  45   0.021   4.485  11.450
  356    H    LEU  46           H        LEU  46   2.703   1.872   8.114
  357    HA   LEU  46           HA       LEU  46   0.984   1.283   5.967
  358   1HB   LEU  46           HB2      LEU  46   3.866   1.051   6.503
  359   2HB   LEU  46           HB3      LEU  46   3.299  -0.282   5.500
  360    HG   LEU  46           HG       LEU  46   2.807   2.657   4.882
  361   1HD1  LEU  46          HD11      LEU  46   5.209   1.926   4.719
  362   2HD1  LEU  46          HD12      LEU  46   4.727   0.667   3.575
  363   3HD1  LEU  46          HD13      LEU  46   4.512   2.377   3.148
  364   1HD2  LEU  46          HD21      LEU  46   2.103   1.850   2.680
  365   2HD2  LEU  46          HD22      LEU  46   2.391   0.160   3.167
  366   3HD2  LEU  46          HD23      LEU  46   1.077   1.095   3.887
  367    H    ARG  47           H        ARG  47   2.228  -0.892   8.489
  368    HA   ARG  47           HA       ARG  47   1.419  -3.339   7.235
  369   1HB   ARG  47           HB2      ARG  47   2.976  -2.790   9.386
  370   2HB   ARG  47           HB3      ARG  47   1.490  -3.080  10.239
  371   1HG   ARG  47           HG2      ARG  47   2.548  -5.182  10.192
  372   2HG   ARG  47           HG3      ARG  47   1.304  -5.277   8.949
  373   1HD   ARG  47           HD2      ARG  47   2.922  -6.027   7.584
  374   2HD   ARG  47           HD3      ARG  47   3.515  -4.381   7.466
  375    HE   ARG  47           HE       ARG  47   4.811  -6.649   8.641
  376   1HH1  ARG  47          HH11      ARG  47   7.186  -4.829  10.492
  377   2HH1  ARG  47          HH12      ARG  47   6.681  -6.476  10.042
  378   1HH2  ARG  47          HH21      ARG  47   6.138  -3.106   9.962
  379   2HH2  ARG  47          HH22      ARG  47   4.738  -3.075   8.879
  380    H    ALA  48           H        ALA  48  -0.035  -1.196   9.684
  381    HA   ALA  48           HA       ALA  48  -2.376  -2.666  10.241
  382   1HB   ALA  48           HB1      ALA  48  -1.845   0.335  10.282
  383   2HB   ALA  48           HB2      ALA  48  -3.190  -0.489  11.114
  384   3HB   ALA  48           HB3      ALA  48  -1.503  -0.807  11.591
  385    H    GLN  49           H        GLN  49  -1.753  -0.098   7.792
  386    HA   GLN  49           HA       GLN  49  -4.379  -0.318   6.586
  387   1HB   GLN  49           HB2      GLN  49  -1.767   1.126   6.112
  388   2HB   GLN  49           HB3      GLN  49  -2.845   0.936   4.746
  389   1HG   GLN  49           HG2      GLN  49  -3.304   3.016   5.919
  390   2HG   GLN  49           HG3      GLN  49  -4.693   1.928   5.947
  391   1HE2  GLN  49          HE21      GLN  49  -5.617   1.434   7.943
  392   2HE2  GLN  49          HE22      GLN  49  -4.909   1.927   9.468
  393    H    ALA  50           H        ALA  50  -1.468  -2.229   6.293
  394    HA   ALA  50           HA       ALA  50  -1.807  -3.052   3.617
  395   1HB   ALA  50           HB1      ALA  50  -0.260  -4.765   4.079
  396   2HB   ALA  50           HB2      ALA  50   0.204  -3.411   5.111
  397   3HB   ALA  50           HB3      ALA  50  -0.649  -4.784   5.812
  398    H    GLY  51           H        GLY  51  -2.825  -4.851   2.699
  399   1HA   GLY  51           HA1      GLY  51  -4.140  -6.826   2.771
  400   2HA   GLY  51           HA2      GLY  51  -4.788  -6.419   4.370
  401    H    GLY  52           H        GLY  52  -4.447  -4.762   1.282
  402   1HA   GLY  52           HA1      GLY  52  -5.911  -3.985  -0.284
  403   2HA   GLY  52           HA2      GLY  52  -6.870  -5.399   0.159
  404    H    ASP  53           H        ASP  53  -6.280  -2.623   2.361
  405    HA   ASP  53           HA       ASP  53  -8.524  -1.128   1.339
  406   1HB   ASP  53           HB2      ASP  53  -9.771  -2.794   2.719
  407   2HB   ASP  53           HB3      ASP  53  -8.852  -2.281   4.140
  408    H    ALA  54           H        ALA  54  -6.869   0.459   1.109
  409    HA   ALA  54           HA       ALA  54  -6.377   1.900   3.669
  410   1HB   ALA  54           HB1      ALA  54  -4.402   0.491   3.251
  411   2HB   ALA  54           HB2      ALA  54  -4.215   1.234   1.657
  412   3HB   ALA  54           HB3      ALA  54  -4.034   2.234   3.121
  413    H    THR  55           H        THR  55  -7.920   2.198   0.896
  414    HA   THR  55           HA       THR  55  -6.607   4.371  -0.402
  415    HB   THR  55           HB       THR  55  -9.567   3.616  -0.382
  416    HG1  THR  55           HG1      THR  55  -7.707   2.127  -1.174
  417   1HG2  THR  55          HG21      THR  55  -7.857   5.331  -2.225
  418   2HG2  THR  55          HG22      THR  55  -9.514   4.791  -2.611
  419   3HG2  THR  55          HG23      THR  55  -9.233   5.899  -1.256
  420    H    ALA  56           H        ALA  56  -9.369   4.415   1.885
  421    HA   ALA  56           HA       ALA  56  -9.514   7.235   2.113
  422   1HB   ALA  56           HB1      ALA  56 -11.317   5.719   2.839
  423   2HB   ALA  56           HB2      ALA  56 -10.283   5.086   4.142
  424   3HB   ALA  56           HB3      ALA  56 -10.807   6.784   4.163
  425    H    ASN  57           H        ASN  57  -7.655   4.829   4.016
  426    HA   ASN  57           HA       ASN  57  -6.667   6.673   5.955
  427   1HB   ASN  57           HB2      ASN  57  -5.491   4.067   4.901
  428   2HB   ASN  57           HB3      ASN  57  -4.863   4.974   6.285
  429   1HD2  ASN  57          HD21      ASN  57  -7.007   2.414   5.497
  430   2HD2  ASN  57          HD22      ASN  57  -7.950   2.500   6.960
  431    H    PHE  58           H        PHE  58  -5.222   5.522   2.881
  432    HA   PHE  58           HA       PHE  58  -2.855   7.033   2.914
  433   1HB   PHE  58           HB2      PHE  58  -3.293   5.232   1.345
  434   2HB   PHE  58           HB3      PHE  58  -4.605   6.129   0.601
  435    HD1  PHE  58           HD1      PHE  58  -0.917   6.180   1.180
  436    HD2  PHE  58           HD2      PHE  58  -4.191   7.671  -1.191
  437    HE1  PHE  58           HE1      PHE  58   0.694   7.020  -0.519
  438    HE2  PHE  58           HE2      PHE  58  -2.585   8.497  -2.882
  439    HZ   PHE  58           HZ       PHE  58  -0.137   8.138  -2.569
  440    H    GLU  59           H        GLU  59  -6.024   7.925   1.360
  441    HA   GLU  59           HA       GLU  59  -4.984  10.459   0.554
  442   1HB   GLU  59           HB2      GLU  59  -7.174  10.946  -0.281
  443   2HB   GLU  59           HB3      GLU  59  -6.645   9.315  -0.691
  444   1HG   GLU  59           HG2      GLU  59  -8.819   8.875  -0.132
  445   2HG   GLU  59           HG3      GLU  59  -8.013   8.597   1.412
  446    H    ALA  60           H        ALA  60  -6.946   9.443   3.329
  447    HA   ALA  60           HA       ALA  60  -7.456  11.933   4.497
  448   1HB   ALA  60           HB1      ALA  60  -7.535  10.711   6.659
  449   2HB   ALA  60           HB2      ALA  60  -8.427   9.879   5.375
  450   3HB   ALA  60           HB3      ALA  60  -6.826   9.286   5.876
  451    H    VAL  61           H        VAL  61  -4.510   9.858   4.896
  452    HA   VAL  61           HA       VAL  61  -3.082  11.824   6.470
  453    HB   VAL  61           HB       VAL  61  -2.090   9.598   4.643
  454   1HG1  VAL  61          HG11      VAL  61   0.066   9.870   5.742
  455   2HG1  VAL  61          HG12      VAL  61  -0.324  11.355   4.904
  456   3HG1  VAL  61          HG13      VAL  61  -0.520  11.268   6.665
  457   1HG2  VAL  61          HG21      VAL  61  -2.232   9.810   7.689
  458   2HG2  VAL  61          HG22      VAL  61  -3.356   8.867   6.700
  459   3HG2  VAL  61          HG23      VAL  61  -1.645   8.422   6.751
  460    H    GLY  62           H        GLY  62  -3.194  11.111   2.957
  461   1HA   GLY  62           HA1      GLY  62  -3.083  12.632   1.207
  462   2HA   GLY  62           HA2      GLY  62  -2.601  13.940   2.301
  463    H    HIS  63           HN       HIS  63  -1.350  13.046  -0.263
  464    HA   HIS  63           HA       HIS  63   1.413  12.597   0.646
  465   1HB   HIS  63           HB2      HIS  63  -0.231  10.688  -1.057
  466   2HB   HIS  63           HB3      HIS  63   1.520  10.779  -1.193
  467    HD1  HIS  63           HND      HIS  63  -1.110   9.776   1.503
  468    HD2  HIS  63           HD       HIS  63   2.975   9.546   0.540
  469    HE1  HIS  63           HE       HIS  63  -0.075   8.165   3.158
  470    H    SER  64           H        SER  64   2.800  13.746  -0.608
  471    HA   SER  64           HA       SER  64   1.679  15.691  -2.417
  472   1HB   SER  64           HB2      SER  64   4.537  15.012  -1.594
  473   2HB   SER  64           HB3      SER  64   4.101  16.427  -2.571
  474    HG   SER  64           HG       SER  64   2.638  16.993  -0.815
  475    H    THR  65           H        THR  65   3.145  16.192  -4.534
  476    HA   THR  65           HA       THR  65   2.331  14.392  -6.539
  477    HB   THR  65           HB       THR  65   4.178  15.803  -7.791
  478    HG1  THR  65           HG1      THR  65   4.904  17.556  -6.556
  479   1HG2  THR  65          HG21      THR  65   2.773  17.834  -7.778
  480   2HG2  THR  65          HG22      THR  65   1.769  16.377  -7.884
  481   3HG2  THR  65          HG23      THR  65   1.908  17.252  -6.341
  482    H    ASP  66           H        ASP  66   5.601  15.028  -5.282
  483    HA   ASP  66           HA       ASP  66   7.086  13.075  -6.557
  484   1HB   ASP  66           HB2      ASP  66   7.879  14.783  -4.852
  485   2HB   ASP  66           HB3      ASP  66   7.227  13.798  -3.560
  486    H    ALA  67           H        ALA  67   5.413  12.699  -3.503
  487    HA   ALA  67           HA       ALA  67   5.834   9.930  -3.097
  488   1HB   ALA  67           HB1      ALA  67   5.062  11.419  -1.316
  489   2HB   ALA  67           HB2      ALA  67   3.500  11.617  -2.124
  490   3HB   ALA  67           HB3      ALA  67   3.979  10.025  -1.503
  491    H    ARG  68           H        ARG  68   3.142  11.601  -4.733
  492    HA   ARG  68           HA       ARG  68   1.523   9.339  -5.397
  493   1HB   ARG  68           HB2      ARG  68   1.775  12.193  -6.127
  494   2HB   ARG  68           HB3      ARG  68   1.262  11.219  -7.488
  495   1HG   ARG  68           HG2      ARG  68  -0.739  10.666  -6.539
  496   2HG   ARG  68           HG3      ARG  68  -0.173  10.844  -4.858
  497   1HD   ARG  68           HD2      ARG  68  -0.205  13.179  -4.938
  498   2HD   ARG  68           HD3      ARG  68  -0.317  13.231  -6.719
  499    HE   ARG  68           HE       ARG  68  -2.605  11.905  -5.979
  500   1HH1  ARG  68          HH11      ARG  68  -4.711  14.711  -5.596
  501   2HH1  ARG  68          HH12      ARG  68  -4.636  13.033  -6.017
  502   1HH2  ARG  68          HH21      ARG  68  -2.711  15.879  -5.060
  503   2HH2  ARG  68          HH22      ARG  68  -1.216  14.996  -5.042
  504    H    GLU  69           H        GLU  69   4.363  10.836  -6.986
  505    HA   GLU  69           HA       GLU  69   4.102   9.190  -9.375
  506   1HB   GLU  69           HB2      GLU  69   5.942  11.251  -8.278
  507   2HB   GLU  69           HB3      GLU  69   6.617  10.195  -9.514
  508   1HG   GLU  69           HG2      GLU  69   3.958  11.673  -9.829
  509   2HG   GLU  69           HG3      GLU  69   5.516  12.312 -10.355
  510    H    LEU  70           H        LEU  70   6.134   9.235  -6.500
  511    HA   LEU  70           HA       LEU  70   7.680   7.014  -6.930
  512   1HB   LEU  70           HB2      LEU  70   7.883   8.701  -5.129
  513   2HB   LEU  70           HB3      LEU  70   6.487   7.980  -4.339
  514    HG   LEU  70           HG       LEU  70   7.708   6.569  -3.236
  515   1HD1  LEU  70          HD11      LEU  70   7.684   4.960  -4.797
  516   2HD1  LEU  70          HD12      LEU  70   8.990   5.683  -5.791
  517   3HD1  LEU  70          HD13      LEU  70   9.346   4.989  -4.194
  518   1HD2  LEU  70          HD21      LEU  70  10.125   7.860  -4.500
  519   2HD2  LEU  70          HD22      LEU  70   9.202   8.471  -3.099
  520   3HD2  LEU  70          HD23      LEU  70  10.072   6.931  -2.978
  521    H    SER  71           H        SER  71   4.481   7.154  -5.329
  522    HA   SER  71           HA       SER  71   3.812   4.531  -4.950
  523   1HB   SER  71           HB2      SER  71   1.867   6.308  -6.464
  524   2HB   SER  71           HB3      SER  71   1.530   5.005  -5.338
  525    HG   SER  71           HG       SER  71   3.001   6.772  -4.021
  526    H    LYS  72           H        LYS  72   3.789   6.144  -8.222
  527    HA   LYS  72           HA       LYS  72   2.790   3.885  -9.616
  528   1HB   LYS  72           HB2      LYS  72   4.592   6.069 -10.711
  529   2HB   LYS  72           HB3      LYS  72   3.705   4.875 -11.624
  530   1HG   LYS  72           HG2      LYS  72   1.708   6.001  -9.962
  531   2HG   LYS  72           HG3      LYS  72   2.760   7.365 -10.346
  532   1HD   LYS  72           HD2      LYS  72   1.039   7.242 -12.031
  533   2HD   LYS  72           HD3      LYS  72   2.589   6.824 -12.757
  534   1HE   LYS  72           HE2      LYS  72   1.464   4.342 -11.802
  535   2HE   LYS  72           HE3      LYS  72   0.109   5.226 -12.495
  536   1HZ   LYS  72           HZ1      LYS  72   1.233   3.836 -14.098
  537   2HZ   LYS  72           HZ2      LYS  72   1.367   5.417 -14.537
  538   3HZ   LYS  72           HZ3      LYS  72   2.650   4.633 -13.867
  539    H    THR  73           H        THR  73   6.045   4.665  -8.501
  540    HA   THR  73           HA       THR  73   7.436   2.682 -10.102
  541    HB   THR  73           HB       THR  73   8.267   4.197  -7.589
  542    HG1  THR  73           HG1      THR  73   7.778   5.448  -9.479
  543   1HG2  THR  73          HG21      THR  73   9.741   2.340  -7.727
  544   2HG2  THR  73          HG22      THR  73   9.929   2.541  -9.493
  545   3HG2  THR  73          HG23      THR  73  10.577   3.757  -8.369
  546    H    PHE  74           H        PHE  74   5.325   2.453  -7.415
  547    HA   PHE  74           HA       PHE  74   6.362  -0.245  -6.656
  548   1HB   PHE  74           HB2      PHE  74   4.824   1.882  -5.111
  549   2HB   PHE  74           HB3      PHE  74   4.913   0.215  -4.594
  550    HD1  PHE  74           HD1      PHE  74   7.434  -0.811  -4.659
  551    HD2  PHE  74           HD2      PHE  74   6.273   3.256  -3.834
  552    HE1  PHE  74           HE1      PHE  74   9.553  -0.459  -3.428
  553    HE2  PHE  74           HE2      PHE  74   8.331   3.547  -2.463
  554    HZ   PHE  74           HZ       PHE  74  10.006   1.727  -2.351
  555    H    ILE  75           H        ILE  75   4.232   1.166  -8.730
  556    HA   ILE  75           HA       ILE  75   1.809  -0.212  -7.986
  557    HB   ILE  75           HB       ILE  75   2.293   1.801  -9.632
  558   1HG1  ILE  75          HG12      ILE  75   0.073   1.213  -8.984
  559   2HG1  ILE  75          HG13      ILE  75   0.147   1.526 -10.724
  560   1HG2  ILE  75          HG21      ILE  75   2.251  -0.510 -11.609
  561   2HG2  ILE  75          HG22      ILE  75   2.206   1.223 -11.996
  562   3HG2  ILE  75          HG23      ILE  75   3.646   0.500 -11.259
  563   1HD1  ILE  75          HD11      ILE  75   0.303  -1.048 -10.994
  564   2HD1  ILE  75          HD12      ILE  75  -0.064  -1.080  -9.253
  565   3HD1  ILE  75          HD13      ILE  75  -1.222  -0.397 -10.400
  566    H    ILE  76           H        ILE  76   1.323  -2.289  -8.247
  567    HA   ILE  76           HA       ILE  76   3.049  -4.024  -9.989
  568    HB   ILE  76           HB       ILE  76   2.091  -5.866  -8.586
  569   1HG1  ILE  76          HG12      ILE  76   1.394  -3.633  -6.590
  570   2HG1  ILE  76          HG13      ILE  76   0.202  -4.437  -7.596
  571   1HG2  ILE  76          HG21      ILE  76   4.401  -4.918  -8.370
  572   2HG2  ILE  76          HG22      ILE  76   3.809  -3.817  -7.112
  573   3HG2  ILE  76          HG23      ILE  76   3.790  -5.574  -6.856
  574   1HD1  ILE  76          HD11      ILE  76   0.920  -6.623  -6.644
  575   2HD1  ILE  76          HD12      ILE  76   1.993  -5.727  -5.534
  576   3HD1  ILE  76          HD13      ILE  76   0.248  -5.492  -5.454
  577    H    GLY  77           H        GLY  77  -0.319  -3.100  -9.133
  578   1HA   GLY  77           HA1      GLY  77  -1.289  -3.324 -11.750
  579   2HA   GLY  77           HA2      GLY  77  -1.553  -4.879 -10.941
  580    H    GLU  78           H        GLU  78  -3.799  -4.635 -10.873
  581    HA   GLU  78           HA       GLU  78  -4.906  -2.329  -9.342
  582   1HB   GLU  78           HB2      GLU  78  -5.422  -3.184 -12.188
  583   2HB   GLU  78           HB3      GLU  78  -6.782  -2.604 -11.237
  584   1HG   GLU  78           HG2      GLU  78  -5.635  -0.584 -10.648
  585   2HG   GLU  78           HG3      GLU  78  -4.179  -1.079 -11.564
  586    H    LEU  79           H        LEU  79  -7.114  -2.551  -8.805
  587    HA   LEU  79           HA       LEU  79  -7.570  -4.977  -7.332
  588   1HB   LEU  79           HB2      LEU  79  -8.360  -2.826  -6.528
  589   2HB   LEU  79           HB3      LEU  79  -9.277  -2.570  -8.023
  590    HG   LEU  79           HG       LEU  79 -10.793  -4.431  -7.468
  591   1HD1  LEU  79          HD11      LEU  79  -9.826  -6.044  -6.126
  592   2HD1  LEU  79          HD12      LEU  79  -8.789  -4.878  -5.292
  593   3HD1  LEU  79          HD13      LEU  79 -10.488  -5.046  -4.823
  594   1HD2  LEU  79          HD21      LEU  79 -10.547  -2.539  -5.144
  595   2HD2  LEU  79          HD22      LEU  79 -11.125  -2.078  -6.765
  596   3HD2  LEU  79          HD23      LEU  79 -12.006  -3.298  -5.843
  597    H    HIS  80           H        HIS  80  -8.691  -6.742  -7.903
  598    HA   HIS  80           HA       HIS  80  -9.394  -7.347 -10.549
  599   1HB   HIS  80           HB2      HIS  80  -9.035  -8.869  -8.509
  600   2HB   HIS  80           HB3      HIS  80 -10.749  -8.657  -8.175
  601    HD1  HIS  80           HD1      HIS  80 -12.326 -10.108  -9.810
  602    HD2  HIS  80           HD2      HIS  80  -8.209 -10.235 -10.627
  603    HE1  HIS  80           HE1      HIS  80 -12.011 -11.918 -11.527
  604    HA   PRO  81           HA       PRO  81 -13.178  -5.063 -10.970
  605   1HB   PRO  81           HB2      PRO  81 -14.250  -6.233 -13.205
  606   2HB   PRO  81           HB3      PRO  81 -12.844  -5.129 -13.226
  607   1HG   PRO  81           HG2      PRO  81 -12.792  -8.166 -13.176
  608   2HG   PRO  81           HG3      PRO  81 -11.914  -7.083 -14.301
  609   1HD   PRO  81           HD2      PRO  81 -10.726  -8.116 -12.139
  610   2HD   PRO  81           HD3      PRO  81 -10.409  -6.412 -12.584
  611    H    ASP  82           H        ASP  82 -12.996  -8.367 -10.065
  612    HA   ASP  82           HA       ASP  82 -15.833  -8.972  -9.911
  613   1HB   ASP  82           HB2      ASP  82 -14.128 -10.744  -9.838
  614   2HB   ASP  82           HB3      ASP  82 -13.478 -10.057  -8.303
  615    H    ASP  83           H        ASP  83 -13.449  -7.289  -7.905
  616    HA   ASP  83           HA       ASP  83 -15.103  -7.228  -5.521
  617   1HB   ASP  83           HB2      ASP  83 -12.609  -7.258  -5.543
  618   2HB   ASP  83           HB3      ASP  83 -12.639  -5.620  -6.224
  619    H    ARG  84           H        ARG  84 -14.816  -5.216  -8.347
  620    HA   ARG  84           HA       ARG  84 -15.393  -2.697  -7.104
  621   1HB   ARG  84           HB2      ARG  84 -14.581  -3.593  -9.699
  622   2HB   ARG  84           HB3      ARG  84 -16.135  -2.800  -9.931
  623   1HG   ARG  84           HG2      ARG  84 -14.580  -1.092 -10.212
  624   2HG   ARG  84           HG3      ARG  84 -15.227  -0.848  -8.586
  625   1HD   ARG  84           HD2      ARG  84 -12.820  -0.607  -8.421
  626   2HD   ARG  84           HD3      ARG  84 -13.269  -2.114  -7.651
  627    HE   ARG  84           HE       ARG  84 -12.069  -3.309  -9.207
  628   1HH1  ARG  84          HH11      ARG  84 -10.149  -2.133 -11.944
  629   2HH1  ARG  84          HH12      ARG  84 -10.287  -3.384 -10.756
  630   1HH2  ARG  84          HH21      ARG  84 -11.501  -0.191 -11.775
  631   2HH2  ARG  84          HH22      ARG  84 -12.701  -0.121 -10.514
  632    HHA  HEM 201           HGM      HEM 201   4.825  11.056   5.017
  633    HHB  HEM 201           HDM      HEM 201   6.006   7.942  -0.517
  634    HHC  HEM 201           HAM      HEM 201   1.115   3.940   0.723
  635    HHD  HEM 201           HBM      HEM 201   0.334   6.693   6.540
  636   1HMA  HEM 201          HM81      HEM 201   6.907  10.032  -0.621
  637   2HMA  HEM 201          HM82      HEM 201   7.518  11.297   0.420
  638   3HMA  HEM 201          HM83      HEM 201   8.199   9.667   0.542
  639   1HAA  HEM 201          HAA1      HEM 201   6.560  12.071   3.944
  640   2HAA  HEM 201          HAA2      HEM 201   7.267  12.251   2.356
  641   1HBA  HEM 201          HBA1      HEM 201   5.581  13.998   2.886
  642   2HBA  HEM 201          HBA2      HEM 201   4.330  12.758   2.999
  643   1HMB  HEM 201          HM11      HEM 201   5.089   6.858  -2.648
  644   2HMB  HEM 201          HM12      HEM 201   6.155   5.682  -1.858
  645   3HMB  HEM 201          HM13      HEM 201   4.796   5.122  -2.841
  646    HAB  HEM 201          HT2A      HEM 201   2.655   3.050  -1.395
  647   1HBB  HEM 201          HV2C      HEM 201   1.255   5.441  -2.557
  648   2HBB  HEM 201          HV2T      HEM 201   1.126   3.628  -3.019
  649   1HMC  HEM 201          HM31      HEM 201  -0.898   2.489   3.455
  650   2HMC  HEM 201          HM32      HEM 201  -1.889   3.670   2.585
  651   3HMC  HEM 201          HM33      HEM 201  -0.522   2.889   1.765
  652    HAC  HEM 201          HT4A      HEM 201  -1.040   3.759   6.071
  653   1HBC  HEM 201          HV4C      HEM 201  -2.267   6.447   5.251
  654   2HBC  HEM 201          HV4T      HEM 201  -2.565   5.482   6.822
  655   1HMD  HEM 201          HM51      HEM 201   0.356   8.325   8.120
  656   2HMD  HEM 201          HM52      HEM 201   1.918   8.003   8.906
  657   3HMD  HEM 201          HM53      HEM 201   1.327   9.668   8.711
  658   1HAD  HEM 201          HAD1      HEM 201   3.508  10.484   8.535
  659   2HAD  HEM 201          HAD2      HEM 201   4.686  10.860   7.305
  660   1HBD  HEM 201          HBD1      HEM 201   2.635  12.224   6.287
  661   2HBD  HEM 201          HBD2      HEM 201   2.125  12.196   7.980
  Start of MODEL   27
    1   1H    ALA   3           H1       ALA   3   2.658 -10.749 -16.245
    2   2H    ALA   3           H2       ALA   3   2.603 -11.712 -17.613
    3   3H    ALA   3           H3       ALA   3   3.648 -10.420 -17.506
    4    HA   ALA   3           HA       ALA   3   0.745 -10.407 -17.760
    5   1HB   ALA   3           HB1      ALA   3   1.183  -8.647 -19.454
    6   2HB   ALA   3           HB2      ALA   3   2.929  -8.779 -19.144
    7   3HB   ALA   3           HB3      ALA   3   2.029 -10.149 -19.836
    8    H    VAL   4           H        VAL   4   0.437  -7.571 -17.860
    9    HA   VAL   4           HA       VAL   4   0.649  -6.783 -15.045
   10    HB   VAL   4           HB       VAL   4  -1.272  -6.174 -17.329
   11   1HG1  VAL   4          HG11      VAL   4  -2.656  -6.135 -15.336
   12   2HG1  VAL   4          HG12      VAL   4  -1.440  -5.176 -14.458
   13   3HG1  VAL   4          HG13      VAL   4  -2.320  -4.479 -15.834
   14   1HG2  VAL   4          HG21      VAL   4   0.982  -5.049 -17.364
   15   2HG2  VAL   4          HG22      VAL   4  -0.358  -3.908 -17.172
   16   3HG2  VAL   4          HG23      VAL   4   0.624  -4.362 -15.766
   17    H    LYS   5           H        LYS   5  -0.828  -7.539 -13.461
   18    HA   LYS   5           HA       LYS   5  -2.912  -9.457 -14.214
   19   1HB   LYS   5           HB2      LYS   5  -1.020 -10.966 -13.930
   20   2HB   LYS   5           HB3      LYS   5  -0.566 -10.178 -12.404
   21   1HG   LYS   5           HG2      LYS   5  -2.665 -10.865 -11.379
   22   2HG   LYS   5           HG3      LYS   5  -3.217 -11.625 -12.880
   23   1HD   LYS   5           HD2      LYS   5  -1.929 -13.481 -12.567
   24   2HD   LYS   5           HD3      LYS   5  -0.580 -12.587 -11.841
   25   1HE   LYS   5           HE2      LYS   5  -1.518 -12.541  -9.700
   26   2HE   LYS   5           HE3      LYS   5  -3.175 -12.760 -10.274
   27   1HZ   LYS   5           HZ1      LYS   5  -2.732 -15.019 -10.723
   28   2HZ   LYS   5           HZ2      LYS   5  -1.140 -14.881 -10.304
   29   3HZ   LYS   5           HZ3      LYS   5  -2.319 -14.688  -9.172
   30    H    TYR   6           H        TYR   6  -4.652  -8.899 -13.051
   31    HA   TYR   6           HA       TYR   6  -4.447  -6.923 -10.925
   32   1HB   TYR   6           HB2      TYR   6  -6.909  -8.494 -11.690
   33   2HB   TYR   6           HB3      TYR   6  -6.763  -6.893 -10.939
   34    HD1  TYR   6           HD1      TYR   6  -6.292  -4.923 -12.265
   35    HD2  TYR   6           HD2      TYR   6  -6.768  -8.768 -14.111
   36    HE1  TYR   6           HE1      TYR   6  -6.148  -3.853 -14.518
   37    HE2  TYR   6           HE2      TYR   6  -6.672  -7.719 -16.348
   38    HH   TYR   6           HH       TYR   6  -6.309  -5.775 -17.532
   39    H    TYR   7           H        TYR   7  -5.323  -7.312  -8.741
   40    HA   TYR   7           HA       TYR   7  -5.032 -10.160  -7.848
   41   1HB   TYR   7           HB2      TYR   7  -4.144  -7.726  -6.305
   42   2HB   TYR   7           HB3      TYR   7  -3.867  -9.422  -5.917
   43    HD1  TYR   7           HD1      TYR   7  -2.532  -6.490  -7.503
   44    HD2  TYR   7           HD2      TYR   7  -2.432 -10.794  -7.663
   45    HE1  TYR   7           HE1      TYR   7  -0.391  -6.394  -8.728
   46    HE2  TYR   7           HE2      TYR   7  -0.270 -10.685  -8.886
   47    HH   TYR   7           HH       TYR   7   1.282  -9.307  -9.915
   48    H    THR   8           H        THR   8  -6.578 -10.877  -6.446
   49    HA   THR   8           HA       THR   8  -9.064  -9.364  -6.262
   50    HB   THR   8           HB       THR   8  -9.888 -11.389  -5.174
   51    HG1  THR   8           HG1      THR   8  -7.636 -12.913  -5.310
   52   1HG2  THR   8          HG21      THR   8  -8.272 -11.796  -7.709
   53   2HG2  THR   8          HG22      THR   8  -9.058 -13.170  -6.917
   54   3HG2  THR   8          HG23      THR   8 -10.023 -11.786  -7.446
   55    H    LEU   9           H        LEU   9 -10.063  -8.623  -4.237
   56    HA   LEU   9           HA       LEU   9  -8.560  -7.567  -2.292
   57   1HB   LEU   9           HB2      LEU   9 -11.352  -8.117  -2.737
   58   2HB   LEU   9           HB3      LEU   9 -11.024  -8.747  -1.235
   59    HG   LEU   9           HG       LEU   9 -10.191  -5.918  -1.987
   60   1HD1  LEU   9          HD11      LEU   9 -12.146  -5.049  -1.014
   61   2HD1  LEU   9          HD12      LEU   9 -12.714  -6.362  -2.052
   62   3HD1  LEU   9          HD13      LEU   9 -12.613  -6.610  -0.298
   63   1HD2  LEU   9          HD21      LEU   9 -10.117  -5.578   0.495
   64   2HD2  LEU   9          HD22      LEU   9 -10.436  -7.310   0.719
   65   3HD2  LEU   9          HD23      LEU   9  -8.930  -6.772  -0.056
   66    H    GLU  10           H        GLU  10  -9.643 -10.935  -2.514
   67    HA   GLU  10           HA       GLU  10  -8.769 -11.851   0.012
   68   1HB   GLU  10           HB2      GLU  10 -10.269 -12.991  -1.705
   69   2HB   GLU  10           HB3      GLU  10  -8.807 -13.463  -2.558
   70   1HG   GLU  10           HG2      GLU  10  -9.394 -15.308  -1.148
   71   2HG   GLU  10           HG3      GLU  10  -7.964 -14.561  -0.436
   72    H    GLU  11           H        GLU  11  -7.130 -12.236  -3.192
   73    HA   GLU  11           HA       GLU  11  -4.716 -13.260  -2.240
   74   1HB   GLU  11           HB2      GLU  11  -5.595 -11.807  -4.708
   75   2HB   GLU  11           HB3      GLU  11  -3.903 -11.632  -4.317
   76   1HG   GLU  11           HG2      GLU  11  -4.032 -13.498  -5.764
   77   2HG   GLU  11           HG3      GLU  11  -3.687 -14.140  -4.154
   78    H    ILE  12           H        ILE  12  -5.654  -9.829  -2.683
   79    HA   ILE  12           HA       ILE  12  -3.159  -8.786  -1.814
   80    HB   ILE  12           HB       ILE  12  -5.934  -7.516  -1.749
   81   1HG1  ILE  12          HG12      ILE  12  -3.776  -6.987  -3.818
   82   2HG1  ILE  12          HG13      ILE  12  -4.884  -8.333  -4.035
   83   1HG2  ILE  12          HG21      ILE  12  -4.551  -5.354  -1.836
   84   2HG2  ILE  12          HG22      ILE  12  -4.463  -6.228  -0.310
   85   3HG2  ILE  12          HG23      ILE  12  -3.134  -6.336  -1.484
   86   1HD1  ILE  12          HD11      ILE  12  -5.744  -6.381  -5.209
   87   2HD1  ILE  12          HD12      ILE  12  -6.832  -6.814  -3.888
   88   3HD1  ILE  12          HD13      ILE  12  -5.722  -5.440  -3.726
   89    H    GLN  13           H        GLN  13  -6.217  -9.447   0.033
   90    HA   GLN  13           HA       GLN  13  -5.462  -8.525   2.550
   91   1HB   GLN  13           HB2      GLN  13  -7.327 -10.674   1.548
   92   2HB   GLN  13           HB3      GLN  13  -6.954 -10.582   3.240
   93   1HG   GLN  13           HG2      GLN  13  -7.686  -7.931   2.168
   94   2HG   GLN  13           HG3      GLN  13  -8.919  -9.150   1.868
   95   1HE2  GLN  13          HE21      GLN  13  -7.656  -7.056   4.297
   96   2HE2  GLN  13          HE22      GLN  13  -8.646  -7.686   5.603
   97    H    LYS  14           H        LYS  14  -4.713 -11.673   0.989
   98    HA   LYS  14           HA       LYS  14  -3.467 -12.795   3.285
   99   1HB   LYS  14           HB2      LYS  14  -2.912 -13.347   0.348
  100   2HB   LYS  14           HB3      LYS  14  -2.354 -14.328   1.708
  101   1HG   LYS  14           HG2      LYS  14  -4.746 -14.693   2.402
  102   2HG   LYS  14           HG3      LYS  14  -5.267 -13.751   1.026
  103   1HD   LYS  14           HD2      LYS  14  -5.557 -15.870   0.261
  104   2HD   LYS  14           HD3      LYS  14  -4.020 -15.411  -0.482
  105   1HE   LYS  14           HE2      LYS  14  -2.777 -16.703   1.227
  106   2HE   LYS  14           HE3      LYS  14  -4.269 -16.986   2.141
  107   1HZ   LYS  14           HZ1      LYS  14  -3.727 -18.900   0.880
  108   2HZ   LYS  14           HZ2      LYS  14  -5.106 -18.244   0.272
  109   3HZ   LYS  14           HZ3      LYS  14  -3.685 -18.056  -0.535
  110    H    HIS  15           H        HIS  15  -2.284 -10.286   1.150
  111    HA   HIS  15           HA       HIS  15   0.503 -10.519   2.203
  112   1HB   HIS  15           HB2      HIS  15  -0.711  -9.076  -0.166
  113   2HB   HIS  15           HB3      HIS  15   0.933  -8.790   0.432
  114    HD1  HIS  15           HD1      HIS  15   2.631 -10.078  -0.957
  115    HD2  HIS  15           HD2      HIS  15  -1.075 -12.015  -0.573
  116    HE1  HIS  15           HE1      HIS  15   2.841 -12.313  -2.184
  117    H    ASN  16           H        ASN  16  -0.679  -9.915   4.263
  118    HA   ASN  16           HA       ASN  16  -1.001  -6.965   4.559
  119   1HB   ASN  16           HB2      ASN  16  -1.828  -7.519   6.840
  120   2HB   ASN  16           HB3      ASN  16  -2.824  -8.100   5.511
  121   1HD2  ASN  16          HD21      ASN  16  -3.032 -10.358   5.118
  122   2HD2  ASN  16          HD22      ASN  16  -2.391 -11.554   6.228
  123    H    ASN  17           H        ASN  17   0.552  -9.502   6.610
  124    HA   ASN  17           HA       ASN  17   3.081  -8.010   6.704
  125   1HB   ASN  17           HB2      ASN  17   2.910  -7.938   9.249
  126   2HB   ASN  17           HB3      ASN  17   2.033  -6.718   8.331
  127   1HD2  ASN  17          HD21      ASN  17  -0.182  -6.404   8.733
  128   2HD2  ASN  17          HD22      ASN  17  -1.106  -7.562   9.671
  129    H    SER  18           H        SER  18   3.353 -10.068   5.528
  130    HA   SER  18           HA       SER  18   4.686 -11.969   7.251
  131   1HB   SER  18           HB2      SER  18   2.073 -12.779   5.911
  132   2HB   SER  18           HB3      SER  18   3.360 -13.959   6.229
  133    HG   SER  18           HG       SER  18   2.473 -12.255   8.291
  134    H    LYS  19           H        LYS  19   3.153 -12.284   4.012
  135    HA   LYS  19           HA       LYS  19   5.723 -13.086   2.845
  136   1HB   LYS  19           HB2      LYS  19   2.868 -12.799   1.852
  137   2HB   LYS  19           HB3      LYS  19   4.192 -13.067   0.733
  138   1HG   LYS  19           HG2      LYS  19   4.302 -14.871   3.088
  139   2HG   LYS  19           HG3      LYS  19   2.793 -15.043   2.212
  140   1HD   LYS  19           HD2      LYS  19   3.760 -15.996   0.376
  141   2HD   LYS  19           HD3      LYS  19   5.167 -14.935   0.425
  142   1HE   LYS  19           HE2      LYS  19   5.814 -16.404   2.575
  143   2HE   LYS  19           HE3      LYS  19   4.778 -17.598   1.779
  144   1HZ   LYS  19           HZ1      LYS  19   7.134 -17.718   1.174
  145   2HZ   LYS  19           HZ2      LYS  19   6.201 -17.421  -0.149
  146   3HZ   LYS  19           HZ3      LYS  19   7.072 -16.207   0.544
  147    H    SER  20           H        SER  20   3.474 -10.278   2.551
  148    HA   SER  20           HA       SER  20   5.656  -8.524   2.340
  149   1HB   SER  20           HB2      SER  20   5.086  -9.612  -0.181
  150   2HB   SER  20           HB3      SER  20   4.077  -8.164  -0.139
  151    HG   SER  20           HG       SER  20   5.925  -7.402  -0.833
  152    H    THR  21           H        THR  21   4.807  -6.301   2.178
  153    HA   THR  21           HA       THR  21   2.106  -5.927   3.317
  154    HB   THR  21           HB       THR  21   4.327  -3.925   2.750
  155    HG1  THR  21           HG1      THR  21   4.998  -5.604   4.138
  156   1HG2  THR  21          HG21      THR  21   3.209  -2.456   4.226
  157   2HG2  THR  21          HG22      THR  21   1.914  -3.113   3.241
  158   3HG2  THR  21          HG23      THR  21   2.216  -3.768   4.882
  159    H    TRP  22           H        TRP  22   0.668  -6.231   1.579
  160    HA   TRP  22           HA       TRP  22   0.908  -4.374  -0.743
  161   1HB   TRP  22           HB2      TRP  22  -0.791  -6.852  -0.304
  162   2HB   TRP  22           HB3      TRP  22  -0.883  -5.779  -1.688
  163    HD1  TRP  22           HD1      TRP  22   2.680  -6.344  -0.823
  164    HE1  TRP  22           HE1      TRP  22   3.781  -7.742  -2.494
  165    HE3  TRP  22           HE3      TRP  22  -1.521  -8.010  -3.215
  166    HZ2  TRP  22           HZ2      TRP  22   2.976  -9.518  -4.723
  167    HZ3  TRP  22           HZ3      TRP  22  -1.326  -9.596  -5.082
  168    HH2  TRP  22           HH2      TRP  22   0.926 -10.290  -5.922
  169    H    LEU  23           H        LEU  23  -1.439  -3.621  -1.368
  170    HA   LEU  23           HA       LEU  23  -3.489  -3.364   0.511
  171   1HB   LEU  23           HB2      LEU  23  -3.081  -0.824   0.982
  172   2HB   LEU  23           HB3      LEU  23  -2.374  -2.046   1.985
  173    HG   LEU  23           HG       LEU  23  -0.195  -1.791   0.584
  174   1HD1  LEU  23          HD11      LEU  23  -1.622   0.721  -0.235
  175   2HD1  LEU  23          HD12      LEU  23   0.076   0.328  -0.541
  176   3HD1  LEU  23          HD13      LEU  23  -1.192  -0.606  -1.337
  177   1HD2  LEU  23          HD21      LEU  23   0.074   0.594   1.753
  178   2HD2  LEU  23          HD22      LEU  23  -1.366   0.005   2.635
  179   3HD2  LEU  23          HD23      LEU  23   0.128  -0.948   2.635
  180    H    ILE  24           H        ILE  24  -4.978  -1.515  -0.192
  181    HA   ILE  24           HA       ILE  24  -4.754  -1.129  -3.165
  182    HB   ILE  24           HB       ILE  24  -7.186  -1.531  -1.420
  183   1HG1  ILE  24          HG12      ILE  24  -6.292  -3.228  -3.770
  184   2HG1  ILE  24          HG13      ILE  24  -5.635  -3.498  -2.161
  185   1HG2  ILE  24          HG21      ILE  24  -7.955  -0.028  -3.059
  186   2HG2  ILE  24          HG22      ILE  24  -6.875  -0.692  -4.309
  187   3HG2  ILE  24          HG23      ILE  24  -8.305  -1.604  -3.784
  188   1HD1  ILE  24          HD11      ILE  24  -8.516  -3.851  -2.943
  189   2HD1  ILE  24          HD12      ILE  24  -7.418  -4.977  -2.120
  190   3HD1  ILE  24          HD13      ILE  24  -8.052  -3.576  -1.258
  191    H    LEU  25           H        LEU  25  -4.199   0.874  -3.603
  192    HA   LEU  25           HA       LEU  25  -5.417   3.203  -2.139
  193   1HB   LEU  25           HB2      LEU  25  -2.704   2.777  -3.353
  194   2HB   LEU  25           HB3      LEU  25  -3.393   4.377  -3.147
  195    HG   LEU  25           HG       LEU  25  -2.856   4.563  -1.056
  196   1HD1  LEU  25          HD11      LEU  25  -3.027   2.855   0.654
  197   2HD1  LEU  25          HD12      LEU  25  -4.487   3.087  -0.281
  198   3HD1  LEU  25          HD13      LEU  25  -3.483   1.660  -0.578
  199   1HD2  LEU  25          HD21      LEU  25  -0.690   4.080  -1.787
  200   2HD2  LEU  25          HD22      LEU  25  -0.861   3.014  -0.390
  201   3HD2  LEU  25          HD23      LEU  25  -1.013   2.348  -1.995
  202    H    HIS  26           H        HIS  26  -7.191   3.419  -3.388
  203    HA   HIS  26           HA       HIS  26  -8.438   4.100  -5.146
  204   1HB   HIS  26           HB2      HIS  26  -5.888   5.010  -6.520
  205   2HB   HIS  26           HB3      HIS  26  -7.537   5.558  -6.817
  206    HD1  HIS  26           HD1      HIS  26  -8.579   7.248  -4.937
  207    HD2  HIS  26           HD2      HIS  26  -4.601   5.989  -4.418
  208    HE1  HIS  26           HE1      HIS  26  -7.570   8.775  -3.190
  209    H    TYR  27           H        TYR  27  -8.036   1.479  -5.099
  210    HA   TYR  27           HA       TYR  27  -8.211  -0.428  -6.285
  211   1HB   TYR  27           HB2      TYR  27  -8.628   1.275  -8.753
  212   2HB   TYR  27           HB3      TYR  27  -9.193  -0.359  -8.473
  213    HD1  TYR  27           HD1      TYR  27 -10.206   0.278  -5.493
  214    HD2  TYR  27           HD2      TYR  27 -10.828   2.061  -9.380
  215    HE1  TYR  27           HE1      TYR  27 -12.319   1.256  -4.708
  216    HE2  TYR  27           HE2      TYR  27 -12.980   2.992  -8.594
  217    HH   TYR  27           HH       TYR  27 -14.445   3.203  -6.818
  218    H    LYS  28           H        LYS  28  -5.527   1.098  -6.191
  219    HA   LYS  28           HA       LYS  28  -4.140  -0.533  -8.268
  220   1HB   LYS  28           HB2      LYS  28  -3.502   2.224  -7.182
  221   2HB   LYS  28           HB3      LYS  28  -2.367   1.219  -8.115
  222   1HG   LYS  28           HG2      LYS  28  -3.942   1.099  -9.937
  223   2HG   LYS  28           HG3      LYS  28  -5.167   2.012  -9.045
  224   1HD   LYS  28           HD2      LYS  28  -3.900   4.024  -9.194
  225   2HD   LYS  28           HD3      LYS  28  -2.461   3.174  -9.812
  226   1HE   LYS  28           HE2      LYS  28  -3.344   2.861 -11.943
  227   2HE   LYS  28           HE3      LYS  28  -4.971   2.610 -11.326
  228   1HZ   LYS  28           HZ1      LYS  28  -5.296   4.880 -11.030
  229   2HZ   LYS  28           HZ2      LYS  28  -3.804   5.241 -11.653
  230   3HZ   LYS  28           HZ3      LYS  28  -4.951   4.506 -12.590
  231    H    VAL  29           H        VAL  29  -2.930  -2.092  -7.474
  232    HA   VAL  29           HA       VAL  29  -2.465  -2.243  -4.605
  233    HB   VAL  29           HB       VAL  29  -1.687  -4.311  -6.657
  234   1HG1  VAL  29          HG11      VAL  29  -1.879  -5.843  -4.779
  235   2HG1  VAL  29          HG12      VAL  29  -0.845  -4.510  -4.253
  236   3HG1  VAL  29          HG13      VAL  29  -2.537  -4.570  -3.734
  237   1HG2  VAL  29          HG21      VAL  29  -3.894  -5.375  -6.074
  238   2HG2  VAL  29          HG22      VAL  29  -4.390  -3.827  -5.361
  239   3HG2  VAL  29          HG23      VAL  29  -4.008  -3.944  -7.097
  240    H    TYR  30           H        TYR  30  -0.520  -2.122  -3.631
  241    HA   TYR  30           HA       TYR  30   1.921  -1.482  -5.238
  242   1HB   TYR  30           HB2      TYR  30   0.803  -0.154  -2.744
  243   2HB   TYR  30           HB3      TYR  30   2.378   0.197  -3.424
  244    HD1  TYR  30           HD1      TYR  30   2.484   1.151  -5.792
  245    HD2  TYR  30           HD2      TYR  30  -1.244   0.712  -3.722
  246    HE1  TYR  30           HE1      TYR  30   1.343   2.627  -7.469
  247    HE2  TYR  30           HE2      TYR  30  -2.306   2.271  -5.331
  248    HH   TYR  30           HH       TYR  30  -1.993   3.742  -7.015
  249    H    ASP  31           H        ASP  31   3.284  -3.189  -4.869
  250    HA   ASP  31           HA       ASP  31   3.295  -4.616  -2.273
  251   1HB   ASP  31           HB2      ASP  31   3.623  -5.983  -4.296
  252   2HB   ASP  31           HB3      ASP  31   4.943  -4.916  -4.819
  253    H    LEU  32           H        LEU  32   4.250  -3.316  -0.670
  254    HA   LEU  32           HA       LEU  32   6.786  -1.966  -1.442
  255   1HB   LEU  32           HB2      LEU  32   5.092  -1.292   0.969
  256   2HB   LEU  32           HB3      LEU  32   6.523  -0.524   0.337
  257    HG   LEU  32           HG       LEU  32   4.839  -0.514  -1.890
  258   1HD1  LEU  32          HD11      LEU  32   3.058  -1.391  -0.253
  259   2HD1  LEU  32          HD12      LEU  32   3.141   0.187   0.544
  260   3HD1  LEU  32          HD13      LEU  32   2.640   0.053  -1.161
  261   1HD2  LEU  32          HD21      LEU  32   5.133   1.663   0.201
  262   2HD2  LEU  32          HD22      LEU  32   6.286   1.296  -1.104
  263   3HD2  LEU  32          HD23      LEU  32   4.664   1.866  -1.510
  264    H    THR  33           H        THR  33   5.892  -2.874   1.830
  265    HA   THR  33           HA       THR  33   6.827  -4.073   3.378
  266    HB   THR  33           HB       THR  33   6.511  -5.818   1.252
  267    HG1  THR  33           HG1      THR  33   7.045  -6.439   3.958
  268   1HG2  THR  33          HG21      THR  33   8.862  -6.217   0.980
  269   2HG2  THR  33          HG22      THR  33   9.078  -6.500   2.735
  270   3HG2  THR  33          HG23      THR  33   8.106  -7.615   1.754
  271    H    LYS  34           H        LYS  34   9.244  -3.923   0.729
  272    HA   LYS  34           HA       LYS  34  11.482  -3.735   2.638
  273   1HB   LYS  34           HB2      LYS  34  11.260  -3.576  -0.395
  274   2HB   LYS  34           HB3      LYS  34  12.779  -3.442   0.501
  275   1HG   LYS  34           HG2      LYS  34  12.938  -5.653   0.810
  276   2HG   LYS  34           HG3      LYS  34  11.309  -5.768   1.469
  277   1HD   LYS  34           HD2      LYS  34  10.406  -5.760  -0.910
  278   2HD   LYS  34           HD3      LYS  34  12.094  -5.840  -1.464
  279   1HE   LYS  34           HE2      LYS  34  12.313  -7.919   0.099
  280   2HE   LYS  34           HE3      LYS  34  10.549  -7.876   0.231
  281   1HZ   LYS  34           HZ1      LYS  34  11.314  -9.377  -1.472
  282   2HZ   LYS  34           HZ2      LYS  34  10.422  -8.169  -2.146
  283   3HZ   LYS  34           HZ3      LYS  34  12.067  -8.159  -2.277
  284    H    PHE  35           H        PHE  35   9.051  -1.671   1.630
  285    HA   PHE  35           HA       PHE  35  10.777   0.718   1.940
  286   1HB   PHE  35           HB2      PHE  35   9.127   0.252  -0.098
  287   2HB   PHE  35           HB3      PHE  35   7.940   0.777   1.065
  288    HD1  PHE  35           HD1      PHE  35  11.395   1.930   0.037
  289    HD2  PHE  35           HD2      PHE  35   7.275   3.032   0.726
  290    HE1  PHE  35           HE1      PHE  35  11.919   4.272  -0.542
  291    HE2  PHE  35           HE2      PHE  35   7.818   5.381   0.159
  292    HZ   PHE  35           HZ       PHE  35  10.146   6.006  -0.472
  293    H    LEU  36           H        LEU  36   9.099  -1.328   3.954
  294    HA   LEU  36           HA       LEU  36   7.188   0.335   5.194
  295   1HB   LEU  36           HB2      LEU  36   8.953  -1.887   6.286
  296   2HB   LEU  36           HB3      LEU  36   7.666  -1.135   7.231
  297    HG   LEU  36           HG       LEU  36   7.183  -2.385   4.536
  298   1HD1  LEU  36          HD11      LEU  36   6.804  -3.535   7.344
  299   2HD1  LEU  36          HD12      LEU  36   6.351  -4.361   5.840
  300   3HD1  LEU  36          HD13      LEU  36   8.053  -4.052   6.195
  301   1HD2  LEU  36          HD21      LEU  36   4.829  -2.522   5.641
  302   2HD2  LEU  36          HD22      LEU  36   5.409  -1.161   6.613
  303   3HD2  LEU  36          HD23      LEU  36   5.382  -1.043   4.834
  304    H    GLU  37           H        GLU  37  10.495  -0.286   6.456
  305    HA   GLU  37           HA       GLU  37  10.386   1.879   8.338
  306   1HB   GLU  37           HB2      GLU  37  12.448  -0.072   7.354
  307   2HB   GLU  37           HB3      GLU  37  13.056   1.443   8.021
  308   1HG   GLU  37           HG2      GLU  37  11.843   1.114  10.098
  309   2HG   GLU  37           HG3      GLU  37  11.070  -0.357   9.475
  310    H    GLU  38           H        GLU  38  11.456   1.645   4.969
  311    HA   GLU  38           HA       GLU  38  12.899   4.093   4.842
  312   1HB   GLU  38           HB2      GLU  38  11.396   2.613   2.688
  313   2HB   GLU  38           HB3      GLU  38  12.659   3.784   2.404
  314   1HG   GLU  38           HG2      GLU  38  13.576   1.575   4.189
  315   2HG   GLU  38           HG3      GLU  38  13.016   1.020   2.612
  316    H    HIS  39           HN       HIS  39   9.515   3.226   4.179
  317    HA   HIS  39           HA       HIS  39   8.520   5.517   2.999
  318   1HB   HIS  39           HB2      HIS  39   7.177   3.587   3.058
  319   2HB   HIS  39           HB3      HIS  39   7.295   3.449   4.813
  320    HD1  HIS  39           HND      HIS  39   5.482   4.513   6.206
  321    HD2  HIS  39           HD       HIS  39   5.569   5.772   2.205
  322    HE1  HIS  39           HE       HIS  39   3.411   5.948   5.865
  323    HA   PRO  40           HA       PRO  40   9.265   8.106   6.641
  324   1HB   PRO  40           HB2      PRO  40   8.866  10.579   5.534
  325   2HB   PRO  40           HB3      PRO  40  10.299   9.566   5.218
  326   1HG   PRO  40           HG2      PRO  40   7.855   9.886   3.506
  327   2HG   PRO  40           HG3      PRO  40   9.561   9.889   2.987
  328   1HD   PRO  40           HD2      PRO  40   7.889   7.698   2.828
  329   2HD   PRO  40           HD3      PRO  40   9.659   7.555   3.056
  330    H    GLY  41           H        GLY  41   7.287   6.848   7.308
  331   1HA   GLY  41           HA1      GLY  41   5.338   8.738   8.330
  332   2HA   GLY  41           HA2      GLY  41   4.634   7.516   7.251
  333    H    GLY  42           H        GLY  42   4.210   5.483   8.163
  334   1HA   GLY  42           HA1      GLY  42   5.588   4.719  10.701
  335   2HA   GLY  42           HA2      GLY  42   3.827   4.753  10.607
  336    H    GLU  43           H        GLU  43   6.506   2.771  10.312
  337    HA   GLU  43           HA       GLU  43   5.786   1.012   8.220
  338   1HB   GLU  43           HB2      GLU  43   7.258  -0.536   9.246
  339   2HB   GLU  43           HB3      GLU  43   7.945   1.062   9.451
  340   1HG   GLU  43           HG2      GLU  43   8.329  -0.007  11.495
  341   2HG   GLU  43           HG3      GLU  43   6.919   0.982  11.868
  342    H    ALA  44           H        ALA  44   4.863   1.107  11.655
  343    HA   ALA  44           HA       ALA  44   3.189  -1.084  11.764
  344   1HB   ALA  44           HB1      ALA  44   2.849   1.578  13.230
  345   2HB   ALA  44           HB2      ALA  44   2.106   0.032  13.688
  346   3HB   ALA  44           HB3      ALA  44   3.869   0.219  13.750
  347    H    VAL  45           H        VAL  45   2.175   2.338  11.019
  348    HA   VAL  45           HA       VAL  45  -0.484   1.507  10.517
  349    HB   VAL  45           HB       VAL  45   0.161   3.852  10.997
  350   1HG1  VAL  45          HG11      VAL  45   0.788   3.990   8.018
  351   2HG1  VAL  45          HG12      VAL  45   0.605   5.362   9.128
  352   3HG1  VAL  45          HG13      VAL  45   1.926   4.223   9.367
  353   1HG2  VAL  45          HG21      VAL  45  -1.589   4.567   8.968
  354   2HG2  VAL  45          HG22      VAL  45  -1.916   2.841   9.159
  355   3HG2  VAL  45          HG23      VAL  45  -2.033   3.917  10.551
  356    H    LEU  46           H        LEU  46   2.421   1.701   8.133
  357    HA   LEU  46           HA       LEU  46   0.667   0.860   6.022
  358   1HB   LEU  46           HB2      LEU  46   3.621   0.705   6.599
  359   2HB   LEU  46           HB3      LEU  46   2.977  -0.345   5.339
  360    HG   LEU  46           HG       LEU  46   3.865   1.880   4.558
  361   1HD1  LEU  46          HD11      LEU  46   2.082   2.215   2.905
  362   2HD1  LEU  46          HD12      LEU  46   2.397   0.489   3.163
  363   3HD1  LEU  46          HD13      LEU  46   0.966   1.251   3.885
  364   1HD2  LEU  46          HD21      LEU  46   2.402   3.821   4.691
  365   2HD2  LEU  46          HD22      LEU  46   1.290   2.993   5.770
  366   3HD2  LEU  46          HD23      LEU  46   2.940   3.346   6.315
  367    H    ARG  47           H        ARG  47   2.351  -1.145   8.464
  368    HA   ARG  47           HA       ARG  47   1.636  -3.632   7.181
  369   1HB   ARG  47           HB2      ARG  47   2.880  -2.728   9.757
  370   2HB   ARG  47           HB3      ARG  47   2.179  -4.366   9.708
  371   1HG   ARG  47           HG2      ARG  47   3.501  -4.897   7.682
  372   2HG   ARG  47           HG3      ARG  47   4.207  -3.276   7.726
  373   1HD   ARG  47           HD2      ARG  47   5.567  -5.287   8.647
  374   2HD   ARG  47           HD3      ARG  47   5.598  -3.765   9.497
  375    HE   ARG  47           HE       ARG  47   4.216  -6.286  10.281
  376   1HH1  ARG  47          HH11      ARG  47   3.468  -5.088  13.500
  377   2HH1  ARG  47          HH12      ARG  47   3.305  -6.425  12.402
  378   1HH2  ARG  47          HH21      ARG  47   4.602  -3.066  12.812
  379   2HH2  ARG  47          HH22      ARG  47   5.306  -3.057  11.279
  380    H    ALA  48           H        ALA  48   0.032  -1.585   9.493
  381    HA   ALA  48           HA       ALA  48  -1.854  -3.534  10.465
  382   1HB   ALA  48           HB1      ALA  48  -1.852  -0.488  10.495
  383   2HB   ALA  48           HB2      ALA  48  -2.883  -1.542  11.501
  384   3HB   ALA  48           HB3      ALA  48  -1.114  -1.537  11.719
  385    H    GLN  49           H        GLN  49  -1.996  -0.846   8.020
  386    HA   GLN  49           HA       GLN  49  -4.749  -1.633   7.360
  387   1HB   GLN  49           HB2      GLN  49  -2.947   0.687   6.957
  388   2HB   GLN  49           HB3      GLN  49  -3.925   0.346   5.561
  389   1HG   GLN  49           HG2      GLN  49  -5.094   0.630   8.359
  390   2HG   GLN  49           HG3      GLN  49  -4.922   1.945   7.191
  391   1HE2  GLN  49          HE21      GLN  49  -6.765   2.340   5.924
  392   2HE2  GLN  49          HE22      GLN  49  -7.770   1.025   5.308
  393    H    ALA  50           H        ALA  50  -1.562  -2.391   6.324
  394    HA   ALA  50           HA       ALA  50  -1.945  -3.055   3.704
  395   1HB   ALA  50           HB1      ALA  50   0.156  -3.183   4.647
  396   2HB   ALA  50           HB2      ALA  50  -0.303  -4.462   5.806
  397   3HB   ALA  50           HB3      ALA  50  -0.186  -4.811   4.062
  398    H    GLY  51           H        GLY  51  -2.296  -4.983   2.584
  399   1HA   GLY  51           HA1      GLY  51  -3.672  -6.612   1.867
  400   2HA   GLY  51           HA2      GLY  51  -3.709  -7.260   3.517
  401    H    GLY  52           H        GLY  52  -4.910  -4.216   1.861
  402   1HA   GLY  52           HA1      GLY  52  -7.629  -4.868   1.907
  403   2HA   GLY  52           HA2      GLY  52  -7.264  -4.076   3.459
  404    H    ASP  53           H        ASP  53  -8.929  -2.592   2.317
  405    HA   ASP  53           HA       ASP  53  -7.888  -0.646   0.425
  406   1HB   ASP  53           HB2      ASP  53 -10.326  -1.025   0.720
  407   2HB   ASP  53           HB3      ASP  53 -10.209  -0.374   2.366
  408    H    ALA  54           H        ALA  54  -6.332   0.742   0.921
  409    HA   ALA  54           HA       ALA  54  -6.429   2.043   3.603
  410   1HB   ALA  54           HB1      ALA  54  -4.465   0.480   3.482
  411   2HB   ALA  54           HB2      ALA  54  -3.860   1.411   2.113
  412   3HB   ALA  54           HB3      ALA  54  -4.047   2.209   3.697
  413    H    THR  55           H        THR  55  -7.708   2.594   1.011
  414    HA   THR  55           HA       THR  55  -6.156   4.661  -0.336
  415    HB   THR  55           HB       THR  55  -9.133   3.961  -0.500
  416    HG1  THR  55           HG1      THR  55  -7.501   2.289  -1.104
  417   1HG2  THR  55          HG21      THR  55  -7.214   5.470  -2.326
  418   2HG2  THR  55          HG22      THR  55  -8.895   5.059  -2.742
  419   3HG2  THR  55          HG23      THR  55  -8.560   6.211  -1.432
  420    H    ALA  56           H        ALA  56  -8.982   4.552   1.863
  421    HA   ALA  56           HA       ALA  56  -9.238   7.348   2.252
  422   1HB   ALA  56           HB1      ALA  56 -10.396   6.726   4.369
  423   2HB   ALA  56           HB2      ALA  56 -10.968   5.806   2.964
  424   3HB   ALA  56           HB3      ALA  56  -9.875   5.041   4.141
  425    H    ASN  57           H        ASN  57  -7.253   4.967   4.049
  426    HA   ASN  57           HA       ASN  57  -6.306   6.862   5.976
  427   1HB   ASN  57           HB2      ASN  57  -5.528   4.061   5.118
  428   2HB   ASN  57           HB3      ASN  57  -4.303   4.999   5.954
  429   1HD2  ASN  57          HD21      ASN  57  -7.892   4.670   6.440
  430   2HD2  ASN  57          HD22      ASN  57  -7.713   4.253   8.133
  431    H    PHE  58           H        PHE  58  -4.839   5.616   2.935
  432    HA   PHE  58           HA       PHE  58  -2.444   7.082   2.945
  433   1HB   PHE  58           HB2      PHE  58  -2.863   5.362   1.348
  434   2HB   PHE  58           HB3      PHE  58  -4.326   6.136   0.770
  435    HD1  PHE  58           HD1      PHE  58  -0.633   6.805   1.005
  436    HD2  PHE  58           HD2      PHE  58  -4.268   7.267  -1.258
  437    HE1  PHE  58           HE1      PHE  58   0.669   7.721  -0.893
  438    HE2  PHE  58           HE2      PHE  58  -2.995   8.238  -3.121
  439    HZ   PHE  58           HZ       PHE  58  -0.506   8.452  -2.964
  440    H    GLU  59           H        GLU  59  -5.658   8.029   1.600
  441    HA   GLU  59           HA       GLU  59  -4.869  10.677   0.896
  442   1HB   GLU  59           HB2      GLU  59  -7.540   9.359   1.394
  443   2HB   GLU  59           HB3      GLU  59  -7.385  11.019   0.796
  444   1HG   GLU  59           HG2      GLU  59  -5.784   8.905  -0.644
  445   2HG   GLU  59           HG3      GLU  59  -7.530   8.891  -0.846
  446    H    ALA  60           H        ALA  60  -6.224   9.358   3.934
  447    HA   ALA  60           HA       ALA  60  -6.953  11.729   5.198
  448   1HB   ALA  60           HB1      ALA  60  -6.654  10.545   7.303
  449   2HB   ALA  60           HB2      ALA  60  -7.345   9.434   6.104
  450   3HB   ALA  60           HB3      ALA  60  -5.627   9.328   6.534
  451    H    VAL  61           H        VAL  61  -3.726  10.297   4.865
  452    HA   VAL  61           HA       VAL  61  -2.287  12.291   6.403
  453    HB   VAL  61           HB       VAL  61  -1.470  10.433   4.155
  454   1HG1  VAL  61          HG11      VAL  61   0.816  10.737   4.722
  455   2HG1  VAL  61          HG12      VAL  61   0.173  12.364   4.521
  456   3HG1  VAL  61          HG13      VAL  61   0.414  11.714   6.148
  457   1HG2  VAL  61          HG21      VAL  61  -0.673   8.956   5.872
  458   2HG2  VAL  61          HG22      VAL  61  -1.086  10.113   7.156
  459   3HG2  VAL  61          HG23      VAL  61  -2.356   9.293   6.227
  460    H    GLY  62           H        GLY  62  -3.040  11.843   2.929
  461   1HA   GLY  62           HA1      GLY  62  -3.703  13.784   1.632
  462   2HA   GLY  62           HA2      GLY  62  -2.432  14.742   2.398
  463    H    HIS  63           HN       HIS  63  -0.222  13.388   2.292
  464    HA   HIS  63           HA       HIS  63   1.569  12.807   1.075
  465   1HB   HIS  63           HB2      HIS  63  -0.520  11.274  -0.543
  466   2HB   HIS  63           HB3      HIS  63   1.203  11.207  -0.842
  467    HD1  HIS  63           HND      HIS  63  -1.345  10.087   1.860
  468    HD2  HIS  63           HD       HIS  63   2.665   9.706   0.673
  469    HE1  HIS  63           HE       HIS  63  -0.328   8.307   3.344
  470    H    SER  64           H        SER  64   2.910  13.541  -0.639
  471    HA   SER  64           HA       SER  64   1.713  15.702  -2.300
  472   1HB   SER  64           HB2      SER  64   4.539  15.056  -1.419
  473   2HB   SER  64           HB3      SER  64   4.189  16.236  -2.695
  474    HG   SER  64           HG       SER  64   4.249  17.086  -0.481
  475    H    THR  65           H        THR  65   2.776  16.020  -4.483
  476    HA   THR  65           HA       THR  65   1.954  14.102  -6.326
  477    HB   THR  65           HB       THR  65   3.525  15.455  -7.838
  478    HG1  THR  65           HG1      THR  65   4.692  17.089  -6.847
  479   1HG2  THR  65          HG21      THR  65   1.165  16.361  -6.451
  480   2HG2  THR  65          HG22      THR  65   2.299  17.720  -6.490
  481   3HG2  THR  65          HG23      THR  65   1.813  16.930  -7.998
  482    H    ASP  66           H        ASP  66   5.251  14.797  -5.199
  483    HA   ASP  66           HA       ASP  66   6.728  12.855  -6.438
  484   1HB   ASP  66           HB2      ASP  66   7.281  14.624  -4.497
  485   2HB   ASP  66           HB3      ASP  66   7.071  13.251  -3.421
  486    H    ALA  67           H        ALA  67   4.787  12.426  -3.518
  487    HA   ALA  67           HA       ALA  67   5.272   9.615  -3.169
  488   1HB   ALA  67           HB1      ALA  67   2.641  10.424  -2.242
  489   2HB   ALA  67           HB2      ALA  67   4.033   9.840  -1.333
  490   3HB   ALA  67           HB3      ALA  67   3.891  11.567  -1.697
  491    H    ARG  68           H        ARG  68   2.649  11.443  -4.814
  492    HA   ARG  68           HA       ARG  68   1.010   9.256  -5.586
  493   1HB   ARG  68           HB2      ARG  68   1.543  11.807  -7.159
  494   2HB   ARG  68           HB3      ARG  68   0.214  10.713  -7.402
  495   1HG   ARG  68           HG2      ARG  68   0.614  12.278  -4.816
  496   2HG   ARG  68           HG3      ARG  68  -0.292  12.865  -6.206
  497   1HD   ARG  68           HD2      ARG  68  -1.672  10.709  -6.050
  498   2HD   ARG  68           HD3      ARG  68  -0.991  10.500  -4.436
  499    HE   ARG  68           HE       ARG  68  -3.111  12.265  -5.293
  500   1HH1  ARG  68          HH11      ARG  68  -3.347  13.911  -2.185
  501   2HH1  ARG  68          HH12      ARG  68  -4.199  13.564  -3.657
  502   1HH2  ARG  68          HH21      ARG  68  -1.247  13.147  -1.799
  503   2HH2  ARG  68          HH22      ARG  68  -0.457  12.117  -2.981
  504    H    GLU  69           H        GLU  69   3.976  10.584  -7.008
  505    HA   GLU  69           HA       GLU  69   3.870   8.934  -9.422
  506   1HB   GLU  69           HB2      GLU  69   5.576  11.068  -8.250
  507   2HB   GLU  69           HB3      GLU  69   6.333  10.044  -9.461
  508   1HG   GLU  69           HG2      GLU  69   3.626  11.351  -9.976
  509   2HG   GLU  69           HG3      GLU  69   5.145  12.214 -10.241
  510    H    LEU  70           H        LEU  70   5.668   9.024  -6.360
  511    HA   LEU  70           HA       LEU  70   7.401   6.898  -6.850
  512   1HB   LEU  70           HB2      LEU  70   7.616   8.515  -5.060
  513   2HB   LEU  70           HB3      LEU  70   6.179   7.847  -4.281
  514    HG   LEU  70           HG       LEU  70   7.205   6.167  -3.289
  515   1HD1  LEU  70          HD11      LEU  70   8.978   5.953  -5.688
  516   2HD1  LEU  70          HD12      LEU  70   9.251   5.001  -4.207
  517   3HD1  LEU  70          HD13      LEU  70   7.701   4.881  -5.044
  518   1HD2  LEU  70          HD21      LEU  70   9.943   7.073  -3.428
  519   2HD2  LEU  70          HD22      LEU  70   8.875   8.475  -3.275
  520   3HD2  LEU  70          HD23      LEU  70   8.781   7.165  -2.094
  521    H    SER  71           H        SER  71   4.280   6.803  -5.097
  522    HA   SER  71           HA       SER  71   3.766   4.140  -4.869
  523   1HB   SER  71           HB2      SER  71   1.775   6.157  -5.981
  524   2HB   SER  71           HB3      SER  71   1.402   4.616  -5.178
  525    HG   SER  71           HG       SER  71   1.339   6.427  -3.733
  526    H    LYS  72           H        LYS  72   3.256   5.927  -8.013
  527    HA   LYS  72           HA       LYS  72   2.437   3.657  -9.483
  528   1HB   LYS  72           HB2      LYS  72   3.925   6.171 -10.335
  529   2HB   LYS  72           HB3      LYS  72   3.410   4.959 -11.465
  530   1HG   LYS  72           HG2      LYS  72   1.250   5.736  -9.575
  531   2HG   LYS  72           HG3      LYS  72   1.925   7.127 -10.405
  532   1HD   LYS  72           HD2      LYS  72   1.470   4.875 -12.281
  533   2HD   LYS  72           HD3      LYS  72   0.003   5.251 -11.413
  534   1HE   LYS  72           HE2      LYS  72   1.692   7.467 -12.676
  535   2HE   LYS  72           HE3      LYS  72   0.600   6.504 -13.673
  536   1HZ   LYS  72           HZ1      LYS  72  -0.284   7.964 -11.277
  537   2HZ   LYS  72           HZ2      LYS  72  -0.382   8.555 -12.809
  538   3HZ   LYS  72           HZ3      LYS  72  -1.226   7.207 -12.401
  539    H    THR  73           H        THR  73   5.766   4.740  -8.693
  540    HA   THR  73           HA       THR  73   7.099   2.752 -10.319
  541    HB   THR  73           HB       THR  73   7.942   4.657  -8.136
  542    HG1  THR  73           HG1      THR  73   8.158   5.520 -10.063
  543   1HG2  THR  73          HG21      THR  73   9.684   2.368  -9.085
  544   2HG2  THR  73          HG22      THR  73  10.239   3.826  -8.236
  545   3HG2  THR  73          HG23      THR  73   9.151   2.701  -7.416
  546    H    PHE  74           H        PHE  74   5.453   2.578  -7.288
  547    HA   PHE  74           HA       PHE  74   6.562  -0.142  -6.704
  548   1HB   PHE  74           HB2      PHE  74   4.843   1.768  -5.075
  549   2HB   PHE  74           HB3      PHE  74   5.100   0.090  -4.627
  550    HD1  PHE  74           HD1      PHE  74   7.660  -0.715  -4.688
  551    HD2  PHE  74           HD2      PHE  74   6.190   3.239  -3.784
  552    HE1  PHE  74           HE1      PHE  74   9.774  -0.199  -3.503
  553    HE2  PHE  74           HE2      PHE  74   8.252   3.689  -2.474
  554    HZ   PHE  74           HZ       PHE  74  10.092   2.028  -2.447
  555    H    ILE  75           H        ILE  75   4.178   1.128  -8.685
  556    HA   ILE  75           HA       ILE  75   1.917  -0.372  -7.813
  557    HB   ILE  75           HB       ILE  75   2.167   1.545  -9.567
  558   1HG1  ILE  75          HG12      ILE  75   0.109  -0.647  -9.452
  559   2HG1  ILE  75          HG13      ILE  75   0.169   0.934  -8.637
  560   1HG2  ILE  75          HG21      ILE  75   3.454   0.123 -11.221
  561   2HG2  ILE  75          HG22      ILE  75   1.969  -0.842 -11.428
  562   3HG2  ILE  75          HG23      ILE  75   2.007   0.883 -11.869
  563   1HD1  ILE  75          HD11      ILE  75  -0.234   0.502 -11.589
  564   2HD1  ILE  75          HD12      ILE  75  -1.415   1.074 -10.399
  565   3HD1  ILE  75          HD13      ILE  75   0.014   2.081 -10.776
  566    H    ILE  76           H        ILE  76   1.428  -2.530  -7.987
  567    HA   ILE  76           HA       ILE  76   3.219  -4.235  -9.712
  568    HB   ILE  76           HB       ILE  76   2.255  -6.101  -8.308
  569   1HG1  ILE  76          HG12      ILE  76   1.648  -3.858  -6.328
  570   2HG1  ILE  76          HG13      ILE  76   0.407  -4.599  -7.331
  571   1HG2  ILE  76          HG21      ILE  76   3.995  -5.805  -6.655
  572   2HG2  ILE  76          HG22      ILE  76   4.572  -5.127  -8.168
  573   3HG2  ILE  76          HG23      ILE  76   4.000  -4.038  -6.893
  574   1HD1  ILE  76          HD11      ILE  76   1.215  -5.444  -4.826
  575   2HD1  ILE  76          HD12      ILE  76   0.276  -6.403  -5.988
  576   3HD1  ILE  76          HD13      ILE  76   2.031  -6.600  -5.897
  577    H    GLY  77           H        GLY  77   0.015  -2.933  -9.486
  578   1HA   GLY  77           HA1      GLY  77  -0.840  -3.667 -11.985
  579   2HA   GLY  77           HA2      GLY  77  -1.308  -5.040 -10.952
  580    H    GLU  78           H        GLU  78  -3.466  -4.684 -10.915
  581    HA   GLU  78           HA       GLU  78  -4.443  -2.284  -9.536
  582   1HB   GLU  78           HB2      GLU  78  -5.044  -3.106 -12.377
  583   2HB   GLU  78           HB3      GLU  78  -6.403  -2.660 -11.363
  584   1HG   GLU  78           HG2      GLU  78  -4.760  -0.592 -10.831
  585   2HG   GLU  78           HG3      GLU  78  -4.213  -0.965 -12.469
  586    H    LEU  79           H        LEU  79  -6.682  -2.510  -8.985
  587    HA   LEU  79           HA       LEU  79  -7.137  -4.865  -7.423
  588   1HB   LEU  79           HB2      LEU  79  -7.952  -2.593  -6.880
  589   2HB   LEU  79           HB3      LEU  79  -8.954  -2.605  -8.345
  590    HG   LEU  79           HG       LEU  79 -10.229  -4.557  -7.411
  591   1HD1  LEU  79          HD11      LEU  79  -9.789  -4.545  -4.718
  592   2HD1  LEU  79          HD12      LEU  79  -9.020  -5.700  -5.825
  593   3HD1  LEU  79          HD13      LEU  79  -8.142  -4.260  -5.264
  594   1HD2  LEU  79          HD21      LEU  79 -10.975  -2.229  -7.205
  595   2HD2  LEU  79          HD22      LEU  79 -11.514  -3.265  -5.872
  596   3HD2  LEU  79          HD23      LEU  79 -10.165  -2.127  -5.620
  597    H    HIS  80           H        HIS  80  -8.246  -6.681  -7.928
  598    HA   HIS  80           HA       HIS  80  -8.733  -7.538 -10.511
  599   1HB   HIS  80           HB2      HIS  80  -8.587  -8.846  -8.403
  600   2HB   HIS  80           HB3      HIS  80 -10.293  -8.490  -8.099
  601    HD1  HIS  80           HD1      HIS  80 -11.844 -10.307  -9.220
  602    HD2  HIS  80           HD2      HIS  80  -7.869 -10.282 -10.581
  603    HE1  HIS  80           HE1      HIS  80 -11.583 -12.339 -10.734
  604    HA   PRO  81           HA       PRO  81 -12.401  -5.443 -11.715
  605   1HB   PRO  81           HB2      PRO  81 -13.225  -7.004 -13.840
  606   2HB   PRO  81           HB3      PRO  81 -11.917  -5.786 -13.878
  607   1HG   PRO  81           HG2      PRO  81 -11.668  -8.780 -13.565
  608   2HG   PRO  81           HG3      PRO  81 -10.658  -7.680 -14.553
  609   1HD   PRO  81           HD2      PRO  81  -9.913  -8.616 -12.122
  610   2HD   PRO  81           HD3      PRO  81  -9.433  -6.990 -12.687
  611    H    ASP  82           H        ASP  82 -12.396  -8.458 -10.201
  612    HA   ASP  82           HA       ASP  82 -15.365  -8.659 -10.166
  613   1HB   ASP  82           HB2      ASP  82 -13.583 -10.615 -10.763
  614   2HB   ASP  82           HB3      ASP  82 -13.633 -10.801  -8.984
  615    H    ASP  83           H        ASP  83 -13.061  -7.053  -8.445
  616    HA   ASP  83           HA       ASP  83 -13.972  -7.817  -5.732
  617   1HB   ASP  83           HB2      ASP  83 -11.659  -7.878  -6.127
  618   2HB   ASP  83           HB3      ASP  83 -11.660  -6.286  -6.937
  619    H    ARG  84           H        ARG  84 -13.499  -4.934  -7.763
  620    HA   ARG  84           HA       ARG  84 -14.507  -3.029  -6.012
  621   1HB   ARG  84           HB2      ARG  84 -14.776  -1.548  -7.863
  622   2HB   ARG  84           HB3      ARG  84 -13.266  -2.433  -8.050
  623   1HG   ARG  84           HG2      ARG  84 -15.800  -3.396  -9.454
  624   2HG   ARG  84           HG3      ARG  84 -14.945  -2.001 -10.069
  625   1HD   ARG  84           HD2      ARG  84 -13.774  -4.786  -9.664
  626   2HD   ARG  84           HD3      ARG  84 -14.322  -4.151 -11.185
  627    HE   ARG  84           HE       ARG  84 -11.780  -3.702  -9.897
  628   1HH1  ARG  84          HH11      ARG  84 -10.742  -1.165 -12.148
  629   2HH1  ARG  84          HH12      ARG  84 -10.231  -2.269 -10.920
  630   1HH2  ARG  84          HH21      ARG  84 -13.045  -1.156 -12.836
  631   2HH2  ARG  84          HH22      ARG  84 -14.141  -2.230 -12.019
  632    HHA  HEM 201           HGM      HEM 201   4.609  10.966   5.091
  633    HHB  HEM 201           HDM      HEM 201   5.594   7.928  -0.543
  634    HHC  HEM 201           HAM      HEM 201   0.683   4.042   0.754
  635    HHD  HEM 201           HBM      HEM 201   0.199   6.556   6.698
  636   1HMA  HEM 201          HM81      HEM 201   6.454   9.987  -0.677
  637   2HMA  HEM 201          HM82      HEM 201   6.861  11.413   0.248
  638   3HMA  HEM 201          HM83      HEM 201   7.782   9.916   0.498
  639   1HAA  HEM 201          HAA1      HEM 201   6.564  11.922   3.895
  640   2HAA  HEM 201          HAA2      HEM 201   6.740  12.304   2.198
  641   1HBA  HEM 201          HBA1      HEM 201   4.538  13.011   4.102
  642   2HBA  HEM 201          HBA2      HEM 201   4.015  12.578   2.471
  643   1HMB  HEM 201          HM11      HEM 201   4.638   6.665  -2.704
  644   2HMB  HEM 201          HM12      HEM 201   5.729   5.580  -1.794
  645   3HMB  HEM 201          HM13      HEM 201   4.372   4.914  -2.704
  646    HAB  HEM 201          HT2A      HEM 201   1.924   3.939  -2.315
  647   1HBB  HEM 201          HV2C      HEM 201   2.546   2.483   0.246
  648   2HBB  HEM 201          HV2T      HEM 201   1.531   1.937  -1.229
  649   1HMC  HEM 201          HM31      HEM 201  -0.940   2.394   3.119
  650   2HMC  HEM 201          HM32      HEM 201  -2.283   3.560   3.108
  651   3HMC  HEM 201          HM33      HEM 201  -1.246   3.393   1.691
  652    HAC  HEM 201          HT4A      HEM 201  -1.981   5.415   6.107
  653   1HBC  HEM 201          HV4C      HEM 201  -1.108   2.527   5.536
  654   2HBC  HEM 201          HV4T      HEM 201  -2.322   3.125   6.814
  655   1HMD  HEM 201          HM51      HEM 201   0.195   8.313   8.295
  656   2HMD  HEM 201          HM52      HEM 201   1.698   7.540   8.848
  657   3HMD  HEM 201          HM53      HEM 201   1.462   9.281   9.052
  658   1HAD  HEM 201          HAD1      HEM 201   3.626  10.079   8.610
  659   2HAD  HEM 201          HAD2      HEM 201   4.361  11.011   7.327
  660   1HBD  HEM 201          HBD1      HEM 201   2.584  12.515   7.276
  661   2HBD  HEM 201          HBD2      HEM 201   1.503  11.394   8.121
  Start of MODEL   28
    1   1H    ALA   3           H1       ALA   3   3.649  -3.904 -16.594
    2   2H    ALA   3           H2       ALA   3   4.409  -4.803 -15.458
    3   3H    ALA   3           H3       ALA   3   5.049  -4.694 -16.990
    4    HA   ALA   3           HA       ALA   3   3.172  -5.877 -17.877
    5   1HB   ALA   3           HB1      ALA   3   5.112  -7.215 -17.047
    6   2HB   ALA   3           HB2      ALA   3   4.353  -7.299 -15.442
    7   3HB   ALA   3           HB3      ALA   3   3.571  -8.070 -16.836
    8    H    VAL   4           H        VAL   4   0.923  -6.103 -17.657
    9    HA   VAL   4           HA       VAL   4  -0.242  -5.083 -15.165
   10    HB   VAL   4           HB       VAL   4  -1.535  -5.979 -17.768
   11   1HG1  VAL   4          HG11      VAL   4  -2.711  -4.372 -15.448
   12   2HG1  VAL   4          HG12      VAL   4  -3.518  -4.788 -16.969
   13   3HG1  VAL   4          HG13      VAL   4  -3.118  -6.062 -15.815
   14   1HG2  VAL   4          HG21      VAL   4  -1.788  -3.522 -18.141
   15   2HG2  VAL   4          HG22      VAL   4  -0.872  -3.217 -16.649
   16   3HG2  VAL   4          HG23      VAL   4  -0.080  -3.974 -18.049
   17    H    LYS   5           H        LYS   5  -1.252  -6.291 -13.681
   18    HA   LYS   5           HA       LYS   5  -2.310  -8.901 -14.196
   19   1HB   LYS   5           HB2      LYS   5   0.431  -8.783 -13.258
   20   2HB   LYS   5           HB3      LYS   5  -0.567  -9.344 -11.915
   21   1HG   LYS   5           HG2      LYS   5  -1.484 -11.140 -13.182
   22   2HG   LYS   5           HG3      LYS   5  -0.821 -10.540 -14.709
   23   1HD   LYS   5           HD2      LYS   5   1.023 -11.267 -12.414
   24   2HD   LYS   5           HD3      LYS   5   0.346 -12.525 -13.466
   25   1HE   LYS   5           HE2      LYS   5   1.253 -11.338 -15.480
   26   2HE   LYS   5           HE3      LYS   5   1.986 -10.124 -14.422
   27   1HZ   LYS   5           HZ1      LYS   5   2.646 -12.990 -14.574
   28   2HZ   LYS   5           HZ2      LYS   5   3.602 -11.721 -14.988
   29   3HZ   LYS   5           HZ3      LYS   5   3.236 -11.988 -13.408
   30    H    TYR   6           H        TYR   6  -4.216  -8.732 -13.147
   31    HA   TYR   6           HA       TYR   6  -4.457  -6.687 -11.091
   32   1HB   TYR   6           HB2      TYR   6  -6.643  -8.480 -12.123
   33   2HB   TYR   6           HB3      TYR   6  -6.755  -6.918 -11.306
   34    HD1  TYR   6           HD1      TYR   6  -6.174  -4.821 -12.491
   35    HD2  TYR   6           HD2      TYR   6  -6.369  -8.607 -14.524
   36    HE1  TYR   6           HE1      TYR   6  -6.183  -3.641 -14.685
   37    HE2  TYR   6           HE2      TYR   6  -6.429  -7.442 -16.702
   38    HH   TYR   6           HH       TYR   6  -6.477  -5.406 -17.782
   39    H    TYR   7           H        TYR   7  -5.273  -7.185  -8.917
   40    HA   TYR   7           HA       TYR   7  -4.998 -10.060  -8.108
   41   1HB   TYR   7           HB2      TYR   7  -4.190  -7.683  -6.437
   42   2HB   TYR   7           HB3      TYR   7  -3.949  -9.389  -6.084
   43    HD1  TYR   7           HD1      TYR   7  -2.707  -6.425  -7.781
   44    HD2  TYR   7           HD2      TYR   7  -2.200 -10.682  -7.398
   45    HE1  TYR   7           HE1      TYR   7  -0.569  -6.266  -8.965
   46    HE2  TYR   7           HE2      TYR   7  -0.019 -10.522  -8.586
   47    HH   TYR   7           HH       TYR   7   1.182  -7.391  -9.895
   48    H    THR   8           H        THR   8  -6.466 -10.788  -6.615
   49    HA   THR   8           HA       THR   8  -8.969  -9.296  -6.390
   50    HB   THR   8           HB       THR   8  -9.824 -11.301  -5.375
   51    HG1  THR   8           HG1      THR   8  -7.532 -12.815  -5.466
   52   1HG2  THR   8          HG21      THR   8  -9.542 -11.349  -7.838
   53   2HG2  THR   8          HG22      THR   8  -7.958 -12.130  -7.651
   54   3HG2  THR   8          HG23      THR   8  -9.425 -12.962  -7.116
   55    H    LEU   9           H        LEU   9  -9.950  -8.739  -4.355
   56    HA   LEU   9           HA       LEU   9  -8.384  -7.532  -2.415
   57   1HB   LEU   9           HB2      LEU   9 -11.079  -7.855  -2.882
   58   2HB   LEU   9           HB3      LEU   9 -10.907  -8.772  -1.412
   59    HG   LEU   9           HG       LEU   9 -10.082  -5.861  -1.836
   60   1HD1  LEU   9          HD11      LEU   9 -12.254  -7.018  -0.037
   61   2HD1  LEU   9          HD12      LEU   9 -11.900  -5.303  -0.346
   62   3HD1  LEU   9          HD13      LEU   9 -12.559  -6.319  -1.633
   63   1HD2  LEU   9          HD21      LEU   9  -8.541  -6.793  -0.187
   64   2HD2  LEU   9          HD22      LEU   9  -9.768  -5.871   0.688
   65   3HD2  LEU   9          HD23      LEU   9  -9.881  -7.640   0.627
   66    H    GLU  10           H        GLU  10  -9.596 -10.860  -2.533
   67    HA   GLU  10           HA       GLU  10  -8.648 -11.801  -0.060
   68   1HB   GLU  10           HB2      GLU  10 -10.176 -12.980  -1.718
   69   2HB   GLU  10           HB3      GLU  10  -8.736 -13.446  -2.609
   70   1HG   GLU  10           HG2      GLU  10  -9.335 -15.269  -1.142
   71   2HG   GLU  10           HG3      GLU  10  -7.844 -14.557  -0.528
   72    H    GLU  11           H        GLU  11  -7.043 -12.203  -3.271
   73    HA   GLU  11           HA       GLU  11  -4.643 -13.299  -2.330
   74   1HB   GLU  11           HB2      GLU  11  -5.480 -11.791  -4.787
   75   2HB   GLU  11           HB3      GLU  11  -3.790 -11.651  -4.375
   76   1HG   GLU  11           HG2      GLU  11  -3.834 -13.481  -5.814
   77   2HG   GLU  11           HG3      GLU  11  -3.678 -14.206  -4.212
   78    H    ILE  12           H        ILE  12  -5.520  -9.849  -2.761
   79    HA   ILE  12           HA       ILE  12  -3.023  -8.866  -1.838
   80    HB   ILE  12           HB       ILE  12  -5.772  -7.544  -1.805
   81   1HG1  ILE  12          HG12      ILE  12  -3.603  -7.072  -3.879
   82   2HG1  ILE  12          HG13      ILE  12  -4.731  -8.394  -4.083
   83   1HG2  ILE  12          HG21      ILE  12  -4.433  -6.172  -0.425
   84   2HG2  ILE  12          HG22      ILE  12  -2.965  -6.482  -1.382
   85   3HG2  ILE  12          HG23      ILE  12  -4.226  -5.427  -2.015
   86   1HD1  ILE  12          HD11      ILE  12  -5.656  -6.507  -5.261
   87   2HD1  ILE  12          HD12      ILE  12  -6.652  -6.795  -3.843
   88   3HD1  ILE  12          HD13      ILE  12  -5.474  -5.469  -3.851
   89    H    GLN  13           H        GLN  13  -6.049  -9.664   0.004
   90    HA   GLN  13           HA       GLN  13  -5.243  -8.672   2.503
   91   1HB   GLN  13           HB2      GLN  13  -7.172 -10.818   1.580
   92   2HB   GLN  13           HB3      GLN  13  -6.630 -10.800   3.239
   93   1HG   GLN  13           HG2      GLN  13  -7.290  -8.243   3.169
   94   2HG   GLN  13           HG3      GLN  13  -8.234  -8.726   1.763
   95   1HE2  GLN  13          HE21      GLN  13 -10.278  -8.332   2.807
   96   2HE2  GLN  13          HE22      GLN  13 -10.795  -9.278   4.194
   97    H    LYS  14           H        LYS  14  -4.564 -11.851   0.966
   98    HA   LYS  14           HA       LYS  14  -3.156 -12.944   3.200
   99   1HB   LYS  14           HB2      LYS  14  -2.859 -13.380   0.210
  100   2HB   LYS  14           HB3      LYS  14  -1.868 -14.198   1.401
  101   1HG   LYS  14           HG2      LYS  14  -4.632 -14.487   2.233
  102   2HG   LYS  14           HG3      LYS  14  -4.584 -14.741   0.499
  103   1HD   LYS  14           HD2      LYS  14  -2.366 -16.222   1.342
  104   2HD   LYS  14           HD3      LYS  14  -3.456 -16.398   2.722
  105   1HE   LYS  14           HE2      LYS  14  -5.161 -17.403   1.281
  106   2HE   LYS  14           HE3      LYS  14  -4.285 -16.909  -0.180
  107   1HZ   LYS  14           HZ1      LYS  14  -3.403 -18.952   1.734
  108   2HZ   LYS  14           HZ2      LYS  14  -3.879 -19.167   0.172
  109   3HZ   LYS  14           HZ3      LYS  14  -2.482 -18.371   0.497
  110    H    HIS  15           H        HIS  15  -2.231 -10.287   1.160
  111    HA   HIS  15           HA       HIS  15   0.643 -10.515   1.950
  112   1HB   HIS  15           HB2      HIS  15  -0.687  -9.040  -0.347
  113   2HB   HIS  15           HB3      HIS  15   0.980  -8.851   0.139
  114    HD1  HIS  15           HD1      HIS  15   2.372  -9.990  -1.663
  115    HD2  HIS  15           HD2      HIS  15  -1.043 -12.148  -0.529
  116    HE1  HIS  15           HE1      HIS  15   2.464 -12.211  -2.910
  117    H    ASN  16           H        ASN  16  -0.040  -9.895   4.120
  118    HA   ASN  16           HA       ASN  16  -0.099  -6.927   4.363
  119   1HB   ASN  16           HB2      ASN  16  -1.473  -7.318   6.492
  120   2HB   ASN  16           HB3      ASN  16  -2.252  -7.492   4.920
  121   1HD2  ASN  16          HD21      ASN  16  -3.941  -8.642   6.105
  122   2HD2  ASN  16          HD22      ASN  16  -3.711 -10.375   6.192
  123    H    ASN  17           H        ASN  17   0.172  -9.509   6.765
  124    HA   ASN  17           HA       ASN  17   2.836  -8.543   7.644
  125   1HB   ASN  17           HB2      ASN  17   1.207  -7.396   9.045
  126   2HB   ASN  17           HB3      ASN  17   0.356  -8.915   9.345
  127   1HD2  ASN  17          HD21      ASN  17   3.893  -8.035   9.412
  128   2HD2  ASN  17          HD22      ASN  17   4.118  -8.638  11.046
  129    H    SER  18           H        SER  18   3.352 -10.387   6.344
  130    HA   SER  18           HA       SER  18   4.100 -12.641   7.787
  131   1HB   SER  18           HB2      SER  18   1.392 -12.939   6.475
  132   2HB   SER  18           HB3      SER  18   2.548 -14.268   6.279
  133    HG   SER  18           HG       SER  18   1.743 -13.108   8.738
  134    H    LYS  19           H        LYS  19   2.710 -12.044   4.515
  135    HA   LYS  19           HA       LYS  19   5.216 -13.082   3.367
  136   1HB   LYS  19           HB2      LYS  19   2.967 -13.980   2.649
  137   2HB   LYS  19           HB3      LYS  19   2.584 -12.388   1.991
  138   1HG   LYS  19           HG2      LYS  19   3.330 -13.690   0.157
  139   2HG   LYS  19           HG3      LYS  19   4.652 -12.588   0.534
  140   1HD   LYS  19           HD2      LYS  19   5.380 -14.739   2.101
  141   2HD   LYS  19           HD3      LYS  19   4.464 -15.595   0.889
  142   1HE   LYS  19           HE2      LYS  19   6.685 -13.581   0.229
  143   2HE   LYS  19           HE3      LYS  19   7.037 -15.272   0.579
  144   1HZ   LYS  19           HZ1      LYS  19   5.144 -14.527  -1.534
  145   2HZ   LYS  19           HZ2      LYS  19   6.762 -14.656  -1.807
  146   3HZ   LYS  19           HZ3      LYS  19   5.913 -15.966  -1.298
  147    H    SER  20           H        SER  20   3.048 -10.281   2.487
  148    HA   SER  20           HA       SER  20   5.408  -8.604   2.287
  149   1HB   SER  20           HB2      SER  20   3.603  -9.236  -0.083
  150   2HB   SER  20           HB3      SER  20   4.943  -8.092  -0.078
  151    HG   SER  20           HG       SER  20   6.094 -10.178   0.770
  152    H    THR  21           H        THR  21   4.743  -6.457   2.863
  153    HA   THR  21           HA       THR  21   1.933  -5.965   3.426
  154    HB   THR  21           HB       THR  21   4.318  -4.099   3.325
  155    HG1  THR  21           HG1      THR  21   2.972  -5.703   5.241
  156   1HG2  THR  21          HG21      THR  21   1.784  -3.138   3.398
  157   2HG2  THR  21          HG22      THR  21   1.993  -3.628   5.090
  158   3HG2  THR  21          HG23      THR  21   3.083  -2.454   4.374
  159    H    TRP  22           H        TRP  22   0.743  -6.327   1.573
  160    HA   TRP  22           HA       TRP  22   0.965  -4.277  -0.576
  161   1HB   TRP  22           HB2      TRP  22  -0.671  -6.822  -0.358
  162   2HB   TRP  22           HB3      TRP  22  -0.732  -5.680  -1.682
  163    HD1  TRP  22           HD1      TRP  22   2.802  -6.281  -0.695
  164    HE1  TRP  22           HE1      TRP  22   3.970  -7.651  -2.466
  165    HE3  TRP  22           HE3      TRP  22  -1.324  -7.912  -3.201
  166    HZ2  TRP  22           HZ2      TRP  22   3.206  -9.235  -4.786
  167    HZ3  TRP  22           HZ3      TRP  22  -1.099  -9.459  -5.093
  168    HH2  TRP  22           HH2      TRP  22   1.171 -10.038  -5.989
  169    H    LEU  23           H        LEU  23  -1.465  -3.691  -1.244
  170    HA   LEU  23           HA       LEU  23  -3.554  -3.479   0.580
  171   1HB   LEU  23           HB2      LEU  23  -3.207  -0.980   1.174
  172   2HB   LEU  23           HB3      LEU  23  -2.438  -2.215   2.127
  173    HG   LEU  23           HG       LEU  23  -0.289  -1.831   0.727
  174   1HD1  LEU  23          HD11      LEU  23  -1.154  -0.648  -1.192
  175   2HD1  LEU  23          HD12      LEU  23  -1.912   0.557  -0.128
  176   3HD1  LEU  23          HD13      LEU  23  -0.154   0.472  -0.255
  177   1HD2  LEU  23          HD21      LEU  23  -1.363   0.423   2.400
  178   2HD2  LEU  23          HD22      LEU  23  -0.596  -1.055   3.023
  179   3HD2  LEU  23          HD23      LEU  23   0.355   0.070   2.027
  180    H    ILE  24           H        ILE  24  -5.041  -1.588  -0.143
  181    HA   ILE  24           HA       ILE  24  -4.736  -1.224  -3.115
  182    HB   ILE  24           HB       ILE  24  -7.234  -1.608  -1.458
  183   1HG1  ILE  24          HG12      ILE  24  -6.283  -3.343  -3.760
  184   2HG1  ILE  24          HG13      ILE  24  -5.636  -3.620  -2.146
  185   1HG2  ILE  24          HG21      ILE  24  -6.907  -1.195  -4.472
  186   2HG2  ILE  24          HG22      ILE  24  -8.426  -1.575  -3.642
  187   3HG2  ILE  24          HG23      ILE  24  -7.638  -0.027  -3.353
  188   1HD1  ILE  24          HD11      ILE  24  -8.610  -3.684  -2.760
  189   2HD1  ILE  24          HD12      ILE  24  -7.558  -5.077  -2.449
  190   3HD1  ILE  24          HD13      ILE  24  -7.856  -3.896  -1.168
  191    H    LEU  25           H        LEU  25  -4.271   0.796  -3.614
  192    HA   LEU  25           HA       LEU  25  -5.514   3.112  -2.148
  193   1HB   LEU  25           HB2      LEU  25  -2.783   2.696  -3.329
  194   2HB   LEU  25           HB3      LEU  25  -3.499   4.297  -3.206
  195    HG   LEU  25           HG       LEU  25  -3.108   4.596  -1.109
  196   1HD1  LEU  25          HD11      LEU  25  -3.104   2.854   0.637
  197   2HD1  LEU  25          HD12      LEU  25  -4.611   3.088  -0.241
  198   3HD1  LEU  25          HD13      LEU  25  -3.599   1.686  -0.609
  199   1HD2  LEU  25          HD21      LEU  25  -1.092   2.390  -1.729
  200   2HD2  LEU  25          HD22      LEU  25  -0.971   4.139  -2.005
  201   3HD2  LEU  25          HD23      LEU  25  -0.978   3.504  -0.362
  202    H    HIS  26           H        HIS  26  -7.307   3.302  -3.399
  203    HA   HIS  26           HA       HIS  26  -8.543   4.037  -5.133
  204   1HB   HIS  26           HB2      HIS  26  -6.025   4.948  -6.544
  205   2HB   HIS  26           HB3      HIS  26  -7.672   5.531  -6.760
  206    HD1  HIS  26           HD1      HIS  26  -8.568   7.257  -4.816
  207    HD2  HIS  26           HD2      HIS  26  -4.632   5.837  -4.490
  208    HE1  HIS  26           HE1      HIS  26  -7.414   8.717  -3.067
  209    H    TYR  27           H        TYR  27  -8.303   1.426  -5.149
  210    HA   TYR  27           HA       TYR  27  -8.481  -0.475  -6.362
  211   1HB   TYR  27           HB2      TYR  27  -8.773   1.318  -8.798
  212   2HB   TYR  27           HB3      TYR  27  -9.367  -0.316  -8.606
  213    HD1  TYR  27           HD1      TYR  27 -10.699  -0.265  -5.940
  214    HD2  TYR  27           HD2      TYR  27 -10.686   2.663  -9.110
  215    HE1  TYR  27           HE1      TYR  27 -13.089   0.177  -5.547
  216    HE2  TYR  27           HE2      TYR  27 -13.016   3.267  -8.540
  217    HH   TYR  27           HH       TYR  27 -14.863   2.783  -7.228
  218    H    LYS  28           H        LYS  28  -5.769   0.837  -6.075
  219    HA   LYS  28           HA       LYS  28  -4.357  -0.658  -8.227
  220   1HB   LYS  28           HB2      LYS  28  -3.645   2.036  -7.064
  221   2HB   LYS  28           HB3      LYS  28  -2.675   1.113  -8.199
  222   1HG   LYS  28           HG2      LYS  28  -5.386   1.419  -9.253
  223   2HG   LYS  28           HG3      LYS  28  -4.818   2.989  -8.672
  224   1HD   LYS  28           HD2      LYS  28  -2.762   2.731 -10.012
  225   2HD   LYS  28           HD3      LYS  28  -3.315   1.101 -10.509
  226   1HE   LYS  28           HE2      LYS  28  -5.317   2.067 -11.567
  227   2HE   LYS  28           HE3      LYS  28  -4.796   3.704 -11.132
  228   1HZ   LYS  28           HZ1      LYS  28  -3.441   1.762 -12.875
  229   2HZ   LYS  28           HZ2      LYS  28  -4.266   3.012 -13.401
  230   3HZ   LYS  28           HZ3      LYS  28  -2.859   3.325 -12.559
  231    H    VAL  29           H        VAL  29  -2.965  -2.102  -7.446
  232    HA   VAL  29           HA       VAL  29  -2.527  -2.218  -4.571
  233    HB   VAL  29           HB       VAL  29  -1.611  -4.294  -6.551
  234   1HG1  VAL  29          HG11      VAL  29  -1.097  -4.306  -3.977
  235   2HG1  VAL  29          HG12      VAL  29  -2.816  -4.646  -3.786
  236   3HG1  VAL  29          HG13      VAL  29  -1.787  -5.770  -4.704
  237   1HG2  VAL  29          HG21      VAL  29  -4.435  -3.842  -5.539
  238   2HG2  VAL  29          HG22      VAL  29  -3.874  -4.013  -7.222
  239   3HG2  VAL  29          HG23      VAL  29  -3.834  -5.400  -6.134
  240    H    TYR  30           H        TYR  30  -0.580  -2.084  -3.579
  241    HA   TYR  30           HA       TYR  30   1.874  -1.372  -5.141
  242   1HB   TYR  30           HB2      TYR  30   0.627  -0.022  -2.712
  243   2HB   TYR  30           HB3      TYR  30   2.236   0.326  -3.290
  244    HD1  TYR  30           HD1      TYR  30  -1.358   0.804  -3.819
  245    HD2  TYR  30           HD2      TYR  30   2.501   1.321  -5.644
  246    HE1  TYR  30           HE1      TYR  30  -2.325   2.428  -5.429
  247    HE2  TYR  30           HE2      TYR  30   1.449   2.760  -7.387
  248    HH   TYR  30           HH       TYR  30  -0.327   4.232  -7.712
  249    H    ASP  31           H        ASP  31   3.462  -2.814  -4.557
  250    HA   ASP  31           HA       ASP  31   3.279  -4.204  -1.915
  251   1HB   ASP  31           HB2      ASP  31   3.885  -5.664  -3.801
  252   2HB   ASP  31           HB3      ASP  31   5.218  -4.589  -4.230
  253    H    LEU  32           H        LEU  32   4.048  -2.828  -0.316
  254    HA   LEU  32           HA       LEU  32   6.596  -1.374  -0.911
  255   1HB   LEU  32           HB2      LEU  32   4.659  -0.706   1.242
  256   2HB   LEU  32           HB3      LEU  32   5.974   0.269   0.708
  257    HG   LEU  32           HG       LEU  32   4.151  -0.278  -1.557
  258   1HD1  LEU  32          HD11      LEU  32   3.001   1.365   0.714
  259   2HD1  LEU  32          HD12      LEU  32   2.240   0.918  -0.836
  260   3HD1  LEU  32          HD13      LEU  32   2.539  -0.318   0.375
  261   1HD2  LEU  32          HD21      LEU  32   4.991   2.374  -0.397
  262   2HD2  LEU  32          HD22      LEU  32   6.079   1.358  -1.363
  263   3HD2  LEU  32          HD23      LEU  32   4.588   1.942  -2.084
  264    H    THR  33           H        THR  33   6.013  -4.280  -0.029
  265    HA   THR  33           HA       THR  33   6.414  -4.407   2.739
  266    HB   THR  33           HB       THR  33   5.706  -6.211   1.092
  267    HG1  THR  33           HG1      THR  33   7.514  -6.589   3.250
  268   1HG2  THR  33          HG21      THR  33   8.668  -6.908   1.010
  269   2HG2  THR  33          HG22      THR  33   7.318  -7.804   0.305
  270   3HG2  THR  33          HG23      THR  33   7.739  -6.219  -0.342
  271    H    LYS  34           H        LYS  34   8.788  -4.121   0.180
  272    HA   LYS  34           HA       LYS  34  11.011  -4.283   2.147
  273   1HB   LYS  34           HB2      LYS  34  10.934  -5.574  -0.129
  274   2HB   LYS  34           HB3      LYS  34  11.234  -3.986  -0.854
  275   1HG   LYS  34           HG2      LYS  34  13.137  -3.902   1.022
  276   2HG   LYS  34           HG3      LYS  34  12.946  -5.660   1.015
  277   1HD   LYS  34           HD2      LYS  34  13.475  -5.712  -1.411
  278   2HD   LYS  34           HD3      LYS  34  13.441  -3.935  -1.451
  279   1HE   LYS  34           HE2      LYS  34  15.315  -4.184   0.461
  280   2HE   LYS  34           HE3      LYS  34  15.551  -5.770  -0.284
  281   1HZ   LYS  34           HZ1      LYS  34  15.682  -3.141  -1.622
  282   2HZ   LYS  34           HZ2      LYS  34  16.970  -4.077  -1.221
  283   3HZ   LYS  34           HZ3      LYS  34  15.915  -4.586  -2.381
  284    H    PHE  35           H        PHE  35   8.970  -2.104   2.051
  285    HA   PHE  35           HA       PHE  35  10.851   0.150   1.845
  286   1HB   PHE  35           HB2      PHE  35   8.958  -0.317  -0.101
  287   2HB   PHE  35           HB3      PHE  35   8.043   0.583   1.022
  288    HD1  PHE  35           HD1      PHE  35   7.661   2.684   0.060
  289    HD2  PHE  35           HD2      PHE  35  11.674   1.062   0.014
  290    HE1  PHE  35           HE1      PHE  35   8.512   4.769  -0.964
  291    HE2  PHE  35           HE2      PHE  35  12.514   3.180  -0.888
  292    HZ   PHE  35           HZ       PHE  35  10.945   5.033  -1.424
  293    H    LEU  36           H        LEU  36   9.360  -1.667   3.979
  294    HA   LEU  36           HA       LEU  36   7.521   0.107   5.287
  295   1HB   LEU  36           HB2      LEU  36   9.134  -2.274   6.294
  296   2HB   LEU  36           HB3      LEU  36   7.841  -1.482   7.186
  297    HG   LEU  36           HG       LEU  36   7.403  -2.762   4.462
  298   1HD1  LEU  36          HD11      LEU  36   8.129  -4.424   6.110
  299   2HD1  LEU  36          HD12      LEU  36   6.890  -3.850   7.253
  300   3HD1  LEU  36          HD13      LEU  36   6.412  -4.618   5.713
  301   1HD2  LEU  36          HD21      LEU  36   5.013  -2.727   5.397
  302   2HD2  LEU  36          HD22      LEU  36   5.590  -1.550   6.584
  303   3HD2  LEU  36          HD23      LEU  36   5.678  -1.180   4.843
  304    H    GLU  37           H        GLU  37  10.914  -0.865   6.108
  305    HA   GLU  37           HA       GLU  37  11.177   1.123   8.143
  306   1HB   GLU  37           HB2      GLU  37  13.595   0.651   7.961
  307   2HB   GLU  37           HB3      GLU  37  12.603  -0.789   8.188
  308   1HG   GLU  37           HG2      GLU  37  13.316  -0.067   5.346
  309   2HG   GLU  37           HG3      GLU  37  14.592  -0.681   6.388
  310    H    GLU  38           H        GLU  38  11.571   1.207   4.677
  311    HA   GLU  38           HA       GLU  38  13.074   3.644   4.478
  312   1HB   GLU  38           HB2      GLU  38  11.299   2.190   2.522
  313   2HB   GLU  38           HB3      GLU  38  12.411   3.452   2.068
  314   1HG   GLU  38           HG2      GLU  38  13.783   1.318   3.604
  315   2HG   GLU  38           HG3      GLU  38  13.007   0.704   2.147
  316    H    HIS  39           HN       HIS  39   9.544   2.850   4.352
  317    HA   HIS  39           HA       HIS  39   8.820   5.447   3.520
  318   1HB   HIS  39           HB2      HIS  39   7.380   3.608   3.068
  319   2HB   HIS  39           HB3      HIS  39   7.191   3.275   4.787
  320    HD1  HIS  39           HND      HIS  39   5.860   5.175   6.225
  321    HD2  HIS  39           HD       HIS  39   5.585   5.393   2.045
  322    HE1  HIS  39           HE       HIS  39   3.883   6.672   5.722
  323    HA   PRO  40           HA       PRO  40   9.722   7.532   7.280
  324   1HB   PRO  40           HB2      PRO  40   8.324   9.916   6.937
  325   2HB   PRO  40           HB3      PRO  40   9.849   9.482   6.118
  326   1HG   PRO  40           HG2      PRO  40   7.033   9.187   5.053
  327   2HG   PRO  40           HG3      PRO  40   8.475   9.853   4.218
  328   1HD   PRO  40           HD2      PRO  40   7.654   7.349   3.787
  329   2HD   PRO  40           HD3      PRO  40   9.404   7.711   3.905
  330    H    GLY  41           H        GLY  41   6.249   7.419   6.473
  331   1HA   GLY  41           HA1      GLY  41   5.073   8.146   8.842
  332   2HA   GLY  41           HA2      GLY  41   4.406   6.894   7.804
  333    H    GLY  42           H        GLY  42   6.920   5.139   8.399
  334   1HA   GLY  42           HA1      GLY  42   7.825   4.053  10.212
  335   2HA   GLY  42           HA2      GLY  42   6.534   4.593  11.282
  336    H    GLU  43           H        GLU  43   7.772   1.892  10.629
  337    HA   GLU  43           HA       GLU  43   5.867   0.296   9.287
  338   1HB   GLU  43           HB2      GLU  43   7.778  -0.693  11.444
  339   2HB   GLU  43           HB3      GLU  43   7.088  -1.549  10.061
  340   1HG   GLU  43           HG2      GLU  43   8.444   0.081   8.608
  341   2HG   GLU  43           HG3      GLU  43   9.252   0.610  10.086
  342    H    ALA  44           H        ALA  44   3.975   0.957  10.220
  343    HA   ALA  44           HA       ALA  44   2.823  -0.867  12.150
  344   1HB   ALA  44           HB1      ALA  44   3.358   2.005  13.037
  345   2HB   ALA  44           HB2      ALA  44   2.047   1.018  13.722
  346   3HB   ALA  44           HB3      ALA  44   3.729   0.499  13.904
  347    H    VAL  45           H        VAL  45   2.427   2.534  10.999
  348    HA   VAL  45           HA       VAL  45  -0.337   2.144  10.479
  349    HB   VAL  45           HB       VAL  45   0.868   4.322  10.860
  350   1HG1  VAL  45          HG11      VAL  45   2.596   4.010   9.019
  351   2HG1  VAL  45          HG12      VAL  45   1.285   4.342   7.853
  352   3HG1  VAL  45          HG13      VAL  45   1.753   5.562   9.048
  353   1HG2  VAL  45          HG21      VAL  45  -1.141   4.101   8.596
  354   2HG2  VAL  45          HG22      VAL  45  -1.493   4.209  10.330
  355   3HG2  VAL  45          HG23      VAL  45  -0.757   5.585   9.492
  356    H    LEU  46           H        LEU  46   2.567   2.001   8.111
  357    HA   LEU  46           HA       LEU  46   0.800   1.233   6.026
  358   1HB   LEU  46           HB2      LEU  46   3.701   0.426   6.270
  359   2HB   LEU  46           HB3      LEU  46   2.736   0.624   4.809
  360    HG   LEU  46           HG       LEU  46   2.487   3.076   6.315
  361   1HD1  LEU  46          HD11      LEU  46   4.553   3.780   6.910
  362   2HD1  LEU  46          HD12      LEU  46   4.609   2.102   7.408
  363   3HD1  LEU  46          HD13      LEU  46   5.395   2.564   5.896
  364   1HD2  LEU  46          HD21      LEU  46   3.116   4.122   4.398
  365   2HD2  LEU  46          HD22      LEU  46   4.090   2.756   3.800
  366   3HD2  LEU  46          HD23      LEU  46   2.312   2.670   3.843
  367    H    ARG  47           H        ARG  47   2.130  -0.683   8.638
  368    HA   ARG  47           HA       ARG  47   1.744  -3.233   7.278
  369   1HB   ARG  47           HB2      ARG  47   3.637  -2.761   8.707
  370   2HB   ARG  47           HB3      ARG  47   2.579  -2.595  10.110
  371   1HG   ARG  47           HG2      ARG  47   2.526  -4.795  10.451
  372   2HG   ARG  47           HG3      ARG  47   2.028  -5.146   8.805
  373   1HD   ARG  47           HD2      ARG  47   4.933  -4.447   9.157
  374   2HD   ARG  47           HD3      ARG  47   4.387  -5.930   9.930
  375    HE   ARG  47           HE       ARG  47   3.372  -5.883   7.261
  376   1HH1  ARG  47          HH11      ARG  47   5.893  -7.814   5.797
  377   2HH1  ARG  47          HH12      ARG  47   4.298  -7.133   5.641
  378   1HH2  ARG  47          HH21      ARG  47   7.235  -7.092   7.654
  379   2HH2  ARG  47          HH22      ARG  47   6.525  -6.030   8.823
  380    H    ALA  48           H        ALA  48  -0.035  -1.237   9.605
  381    HA   ALA  48           HA       ALA  48  -1.840  -3.279  10.506
  382   1HB   ALA  48           HB1      ALA  48  -2.040  -0.235  10.527
  383   2HB   ALA  48           HB2      ALA  48  -3.102  -1.346  11.421
  384   3HB   ALA  48           HB3      ALA  48  -1.373  -1.264  11.813
  385    H    GLN  49           H        GLN  49  -2.175  -0.600   8.133
  386    HA   GLN  49           HA       GLN  49  -4.817  -1.474   7.275
  387   1HB   GLN  49           HB2      GLN  49  -2.960   0.764   6.886
  388   2HB   GLN  49           HB3      GLN  49  -3.675   0.306   5.373
  389   1HG   GLN  49           HG2      GLN  49  -5.318   0.878   7.881
  390   2HG   GLN  49           HG3      GLN  49  -4.950   2.044   6.601
  391   1HE2  GLN  49          HE21      GLN  49  -7.516   2.131   6.494
  392   2HE2  GLN  49          HE22      GLN  49  -8.145   0.982   5.322
  393    H    ALA  50           H        ALA  50  -1.636  -2.434   6.546
  394    HA   ALA  50           HA       ALA  50  -1.633  -3.162   3.927
  395   1HB   ALA  50           HB1      ALA  50   0.053  -3.603   5.822
  396   2HB   ALA  50           HB2      ALA  50  -0.738  -5.157   6.024
  397   3HB   ALA  50           HB3      ALA  50   0.009  -4.735   4.454
  398    H    GLY  51           H        GLY  51  -2.385  -4.897   2.663
  399   1HA   GLY  51           HA1      GLY  51  -3.941  -6.384   1.895
  400   2HA   GLY  51           HA2      GLY  51  -3.858  -7.169   3.478
  401    H    GLY  52           H        GLY  52  -5.019  -3.962   2.266
  402   1HA   GLY  52           HA1      GLY  52  -7.791  -4.517   2.795
  403   2HA   GLY  52           HA2      GLY  52  -7.037  -3.539   4.077
  404    H    ASP  53           H        ASP  53  -9.004  -2.290   2.848
  405    HA   ASP  53           HA       ASP  53  -8.140  -0.654   0.599
  406   1HB   ASP  53           HB2      ASP  53 -10.297   0.470   1.041
  407   2HB   ASP  53           HB3      ASP  53 -10.475  -1.270   0.771
  408    H    ALA  54           H        ALA  54  -6.388   0.510   1.177
  409    HA   ALA  54           HA       ALA  54  -6.494   2.136   3.710
  410   1HB   ALA  54           HB1      ALA  54  -4.111   2.288   3.573
  411   2HB   ALA  54           HB2      ALA  54  -4.579   0.560   3.461
  412   3HB   ALA  54           HB3      ALA  54  -4.086   1.427   2.013
  413    H    THR  55           H        THR  55  -7.676   2.466   0.819
  414    HA   THR  55           HA       THR  55  -6.270   4.620  -0.394
  415    HB   THR  55           HB       THR  55  -9.230   3.898  -0.533
  416    HG1  THR  55           HG1      THR  55  -7.401   2.287  -1.150
  417   1HG2  THR  55          HG21      THR  55  -9.002   4.938  -2.821
  418   2HG2  THR  55          HG22      THR  55  -8.687   6.127  -1.540
  419   3HG2  THR  55          HG23      THR  55  -7.327   5.373  -2.401
  420    H    ALA  56           H        ALA  56  -9.129   4.610   1.772
  421    HA   ALA  56           HA       ALA  56  -9.354   7.419   2.053
  422   1HB   ALA  56           HB1      ALA  56 -10.291   5.092   3.755
  423   2HB   ALA  56           HB2      ALA  56 -10.676   6.789   4.122
  424   3HB   ALA  56           HB3      ALA  56 -11.211   6.072   2.592
  425    H    ASN  57           H        ASN  57  -7.439   5.038   3.934
  426    HA   ASN  57           HA       ASN  57  -6.589   6.917   5.951
  427   1HB   ASN  57           HB2      ASN  57  -5.543   4.235   4.994
  428   2HB   ASN  57           HB3      ASN  57  -4.671   5.189   6.197
  429   1HD2  ASN  57          HD21      ASN  57  -5.289   5.007   8.348
  430   2HD2  ASN  57          HD22      ASN  57  -6.785   4.241   8.849
  431    H    PHE  58           H        PHE  58  -5.023   5.678   3.003
  432    HA   PHE  58           HA       PHE  58  -2.645   7.148   3.005
  433   1HB   PHE  58           HB2      PHE  58  -3.088   5.335   1.482
  434   2HB   PHE  58           HB3      PHE  58  -4.452   6.169   0.766
  435    HD1  PHE  58           HD1      PHE  58  -4.195   7.839  -0.964
  436    HD2  PHE  58           HD2      PHE  58  -0.770   6.106   0.978
  437    HE1  PHE  58           HE1      PHE  58  -2.736   8.738  -2.740
  438    HE2  PHE  58           HE2      PHE  58   0.699   6.976  -0.826
  439    HZ   PHE  58           HZ       PHE  58  -0.283   8.290  -2.694
  440    H    GLU  59           H        GLU  59  -5.803   8.053   1.477
  441    HA   GLU  59           HA       GLU  59  -4.798  10.599   0.642
  442   1HB   GLU  59           HB2      GLU  59  -6.968  11.022  -0.226
  443   2HB   GLU  59           HB3      GLU  59  -6.476   9.357  -0.563
  444   1HG   GLU  59           HG2      GLU  59  -8.555   8.832   0.114
  445   2HG   GLU  59           HG3      GLU  59  -7.858   8.973   1.728
  446    H    ALA  60           H        ALA  60  -6.735   9.559   3.464
  447    HA   ALA  60           HA       ALA  60  -7.346  11.994   4.601
  448   1HB   ALA  60           HB1      ALA  60  -6.854  10.766   6.863
  449   2HB   ALA  60           HB2      ALA  60  -8.123  10.136   5.795
  450   3HB   ALA  60           HB3      ALA  60  -6.534   9.354   5.851
  451    H    VAL  61           H        VAL  61  -4.225  10.248   4.992
  452    HA   VAL  61           HA       VAL  61  -2.921  12.455   6.368
  453    HB   VAL  61           HB       VAL  61  -1.938  10.012   4.861
  454   1HG1  VAL  61          HG11      VAL  61  -0.183  11.637   4.492
  455   2HG1  VAL  61          HG12      VAL  61  -0.296  12.228   6.164
  456   3HG1  VAL  61          HG13      VAL  61   0.309  10.598   5.807
  457   1HG2  VAL  61          HG21      VAL  61  -1.529   9.123   6.986
  458   2HG2  VAL  61          HG22      VAL  61  -1.493  10.716   7.778
  459   3HG2  VAL  61          HG23      VAL  61  -3.034  10.003   7.266
  460    H    GLY  62           H        GLY  62  -2.980  11.348   2.947
  461   1HA   GLY  62           HA1      GLY  62  -3.088  12.787   1.099
  462   2HA   GLY  62           HA2      GLY  62  -2.510  14.157   2.056
  463    H    HIS  63           HN       HIS  63  -1.539  12.946  -0.518
  464    HA   HIS  63           HA       HIS  63   1.326  12.541   0.156
  465   1HB   HIS  63           HB2      HIS  63  -0.540  10.646  -1.316
  466   2HB   HIS  63           HB3      HIS  63   1.200  10.640  -1.571
  467    HD1  HIS  63           HND      HIS  63  -1.300   9.848   1.349
  468    HD2  HIS  63           HD       HIS  63   2.702   9.401   0.118
  469    HE1  HIS  63           HE       HIS  63  -0.193   8.309   3.024
  470    H    SER  64           H        SER  64   2.312  14.089  -0.967
  471    HA   SER  64           HA       SER  64   0.997  15.714  -2.865
  472   1HB   SER  64           HB2      SER  64   3.335  15.918  -1.357
  473   2HB   SER  64           HB3      SER  64   3.964  15.799  -3.007
  474    HG   SER  64           HG       SER  64   3.357  17.957  -2.205
  475    H    THR  65           H        THR  65   2.239  16.251  -5.082
  476    HA   THR  65           HA       THR  65   1.541  14.230  -6.921
  477    HB   THR  65           HB       THR  65   2.943  15.612  -8.503
  478    HG1  THR  65           HG1      THR  65   3.957  17.445  -7.602
  479   1HG2  THR  65          HG21      THR  65   1.523  17.527  -8.473
  480   2HG2  THR  65          HG22      THR  65   0.536  16.242  -7.754
  481   3HG2  THR  65          HG23      THR  65   1.304  17.460  -6.715
  482    H    ASP  66           H        ASP  66   4.802  15.190  -5.931
  483    HA   ASP  66           HA       ASP  66   6.302  13.251  -7.160
  484   1HB   ASP  66           HB2      ASP  66   6.986  15.200  -5.553
  485   2HB   ASP  66           HB3      ASP  66   6.803  14.054  -4.238
  486    H    ALA  67           H        ALA  67   4.823  12.968  -3.972
  487    HA   ALA  67           HA       ALA  67   5.555  10.250  -3.433
  488   1HB   ALA  67           HB1      ALA  67   3.133  11.761  -2.384
  489   2HB   ALA  67           HB2      ALA  67   3.873  10.312  -1.681
  490   3HB   ALA  67           HB3      ALA  67   4.766  11.846  -1.703
  491    H    ARG  68           H        ARG  68   2.706  11.662  -5.001
  492    HA   ARG  68           HA       ARG  68   1.194   9.263  -5.385
  493   1HB   ARG  68           HB2      ARG  68  -0.012  11.212  -5.341
  494   2HB   ARG  68           HB3      ARG  68   1.117  12.124  -6.315
  495   1HG   ARG  68           HG2      ARG  68  -0.513   9.907  -7.522
  496   2HG   ARG  68           HG3      ARG  68  -1.151  11.539  -7.325
  497   1HD   ARG  68           HD2      ARG  68   0.615  12.535  -8.632
  498   2HD   ARG  68           HD3      ARG  68   1.452  11.025  -8.837
  499    HE   ARG  68           HE       ARG  68  -0.676  11.989 -10.413
  500   1HH1  ARG  68          HH11      ARG  68  -1.541   8.940 -11.913
  501   2HH1  ARG  68          HH12      ARG  68  -1.711  10.663 -11.949
  502   1HH2  ARG  68          HH21      ARG  68  -0.217   7.942 -10.197
  503   2HH2  ARG  68          HH22      ARG  68   0.656   8.944  -9.089
  504    H    GLU  69           H        GLU  69   3.847  10.787  -7.196
  505    HA   GLU  69           HA       GLU  69   3.570   8.929  -9.459
  506   1HB   GLU  69           HB2      GLU  69   5.247  11.261  -8.705
  507   2HB   GLU  69           HB3      GLU  69   5.940  10.144  -9.870
  508   1HG   GLU  69           HG2      GLU  69   3.120  11.243 -10.227
  509   2HG   GLU  69           HG3      GLU  69   4.551  12.115 -10.751
  510    H    LEU  70           H        LEU  70   5.602   9.327  -6.588
  511    HA   LEU  70           HA       LEU  70   7.414   7.261  -7.113
  512   1HB   LEU  70           HB2      LEU  70   7.596   8.985  -5.349
  513   2HB   LEU  70           HB3      LEU  70   6.273   8.199  -4.490
  514    HG   LEU  70           HG       LEU  70   7.556   6.714  -3.531
  515   1HD1  LEU  70          HD11      LEU  70   9.445   5.501  -4.525
  516   2HD1  LEU  70          HD12      LEU  70   7.791   5.309  -5.122
  517   3HD1  LEU  70          HD13      LEU  70   8.989   6.236  -6.081
  518   1HD2  LEU  70          HD21      LEU  70   8.821   8.722  -3.019
  519   2HD2  LEU  70          HD22      LEU  70   9.922   7.341  -3.165
  520   3HD2  LEU  70          HD23      LEU  70   9.800   8.515  -4.493
  521    H    SER  71           H        SER  71   4.332   7.182  -5.329
  522    HA   SER  71           HA       SER  71   4.060   4.473  -4.996
  523   1HB   SER  71           HB2      SER  71   1.664   4.701  -4.983
  524   2HB   SER  71           HB3      SER  71   2.355   6.171  -4.249
  525    HG   SER  71           HG       SER  71   1.971   7.191  -6.305
  526    H    LYS  72           H        LYS  72   3.028   6.045  -8.002
  527    HA   LYS  72           HA       LYS  72   2.410   3.801  -9.525
  528   1HB   LYS  72           HB2      LYS  72   3.487   6.544 -10.000
  529   2HB   LYS  72           HB3      LYS  72   3.829   5.435 -11.304
  530   1HG   LYS  72           HG2      LYS  72   1.034   5.727 -10.125
  531   2HG   LYS  72           HG3      LYS  72   1.723   6.945 -11.228
  532   1HD   LYS  72           HD2      LYS  72   2.297   5.055 -12.831
  533   2HD   LYS  72           HD3      LYS  72   1.276   3.989 -11.847
  534   1HE   LYS  72           HE2      LYS  72  -0.676   5.452 -12.307
  535   2HE   LYS  72           HE3      LYS  72   0.372   6.637 -13.112
  536   1HZ   LYS  72           HZ1      LYS  72  -0.773   5.260 -14.699
  537   2HZ   LYS  72           HZ2      LYS  72   0.852   5.077 -14.810
  538   3HZ   LYS  72           HZ3      LYS  72  -0.049   3.901 -14.102
  539    H    THR  73           H        THR  73   5.726   4.984  -8.715
  540    HA   THR  73           HA       THR  73   7.081   3.039 -10.374
  541    HB   THR  73           HB       THR  73   7.922   4.992  -8.241
  542    HG1  THR  73           HG1      THR  73   7.755   5.534 -10.425
  543   1HG2  THR  73          HG21      THR  73  10.236   4.244  -8.389
  544   2HG2  THR  73          HG22      THR  73   9.217   3.091  -7.522
  545   3HG2  THR  73          HG23      THR  73   9.714   2.751  -9.199
  546    H    PHE  74           H        PHE  74   5.631   2.871  -7.239
  547    HA   PHE  74           HA       PHE  74   6.749   0.167  -6.657
  548   1HB   PHE  74           HB2      PHE  74   5.150   2.222  -5.112
  549   2HB   PHE  74           HB3      PHE  74   5.042   0.538  -4.653
  550    HD1  PHE  74           HD1      PHE  74   6.712  -0.567  -3.484
  551    HD2  PHE  74           HD2      PHE  74   7.588   3.167  -5.367
  552    HE1  PHE  74           HE1      PHE  74   8.928  -0.564  -2.394
  553    HE2  PHE  74           HE2      PHE  74   9.691   3.330  -4.083
  554    HZ   PHE  74           HZ       PHE  74  10.386   1.416  -2.593
  555    H    ILE  75           H        ILE  75   4.289   1.311  -8.628
  556    HA   ILE  75           HA       ILE  75   2.072  -0.203  -7.722
  557    HB   ILE  75           HB       ILE  75   2.332   1.664  -9.500
  558   1HG1  ILE  75          HG12      ILE  75   0.314  -0.548  -9.662
  559   2HG1  ILE  75          HG13      ILE  75   0.319   0.907  -8.623
  560   1HG2  ILE  75          HG21      ILE  75   2.263  -0.738 -11.350
  561   2HG2  ILE  75          HG22      ILE  75   2.398   0.984 -11.807
  562   3HG2  ILE  75          HG23      ILE  75   3.756   0.181 -11.034
  563   1HD1  ILE  75          HD11      ILE  75  -1.160   1.094 -10.550
  564   2HD1  ILE  75          HD12      ILE  75   0.057   2.384 -10.403
  565   3HD1  ILE  75          HD13      ILE  75   0.227   1.093 -11.634
  566    H    ILE  76           H        ILE  76   1.512  -2.354  -7.875
  567    HA   ILE  76           HA       ILE  76   3.369  -4.159  -9.420
  568    HB   ILE  76           HB       ILE  76   2.431  -5.920  -7.903
  569   1HG1  ILE  76          HG12      ILE  76   1.668  -3.602  -6.089
  570   2HG1  ILE  76          HG13      ILE  76   0.493  -4.394  -7.138
  571   1HG2  ILE  76          HG21      ILE  76   4.026  -3.704  -6.533
  572   2HG2  ILE  76          HG22      ILE  76   4.094  -5.447  -6.195
  573   3HG2  ILE  76          HG23      ILE  76   4.708  -4.829  -7.721
  574   1HD1  ILE  76          HD11      ILE  76   2.196  -6.005  -5.230
  575   2HD1  ILE  76          HD12      ILE  76   0.734  -5.188  -4.700
  576   3HD1  ILE  76          HD13      ILE  76   0.642  -6.425  -5.979
  577    H    GLY  77           H        GLY  77   0.274  -2.790  -9.518
  578   1HA   GLY  77           HA1      GLY  77  -0.494  -3.601 -11.964
  579   2HA   GLY  77           HA2      GLY  77  -1.022  -4.969 -10.965
  580    H    GLU  78           H        GLU  78  -3.181  -4.684 -10.896
  581    HA   GLU  78           HA       GLU  78  -4.225  -2.244  -9.641
  582   1HB   GLU  78           HB2      GLU  78  -4.648  -3.023 -12.491
  583   2HB   GLU  78           HB3      GLU  78  -6.099  -2.615 -11.594
  584   1HG   GLU  78           HG2      GLU  78  -5.150  -0.474 -10.910
  585   2HG   GLU  78           HG3      GLU  78  -3.616  -0.877 -11.724
  586    H    LEU  79           H        LEU  79  -6.582  -2.503  -9.226
  587    HA   LEU  79           HA       LEU  79  -6.946  -4.966  -7.695
  588   1HB   LEU  79           HB2      LEU  79  -7.650  -2.773  -6.855
  589   2HB   LEU  79           HB3      LEU  79  -8.638  -2.563  -8.307
  590    HG   LEU  79           HG       LEU  79  -9.910  -4.710  -7.513
  591   1HD1  LEU  79          HD11      LEU  79  -9.870  -4.561  -4.832
  592   2HD1  LEU  79          HD12      LEU  79  -8.856  -5.687  -5.733
  593   3HD1  LEU  79          HD13      LEU  79  -8.177  -4.159  -5.135
  594   1HD2  LEU  79          HD21      LEU  79 -10.562  -2.530  -5.651
  595   2HD2  LEU  79          HD22      LEU  79 -10.449  -2.076  -7.367
  596   3HD2  LEU  79          HD23      LEU  79 -11.512  -3.370  -6.899
  597    H    HIS  80           H        HIS  80  -8.086  -6.708  -8.307
  598    HA   HIS  80           HA       HIS  80  -8.807  -7.359 -10.910
  599   1HB   HIS  80           HB2      HIS  80  -8.621  -8.763  -8.720
  600   2HB   HIS  80           HB3      HIS  80 -10.347  -8.474  -8.557
  601    HD1  HIS  80           HD1      HIS  80 -11.759 -10.209  -9.994
  602    HD2  HIS  80           HD2      HIS  80  -7.666 -10.064 -10.911
  603    HE1  HIS  80           HE1      HIS  80 -11.349 -12.039 -11.686
  604    HA   PRO  81           HA       PRO  81 -12.499  -5.017 -11.556
  605   1HB   PRO  81           HB2      PRO  81 -13.570  -6.297 -13.721
  606   2HB   PRO  81           HB3      PRO  81 -12.134  -5.231 -13.770
  607   1HG   PRO  81           HG2      PRO  81 -12.182  -8.264 -13.649
  608   2HG   PRO  81           HG3      PRO  81 -11.184  -7.224 -14.712
  609   1HD   PRO  81           HD2      PRO  81 -10.269  -8.327 -12.415
  610   2HD   PRO  81           HD3      PRO  81  -9.702  -6.729 -12.977
  611    H    ASP  82           H        ASP  82 -12.453  -8.349 -10.559
  612    HA   ASP  82           HA       ASP  82 -15.306  -8.755 -10.381
  613   1HB   ASP  82           HB2      ASP  82 -13.606 -10.581 -10.375
  614   2HB   ASP  82           HB3      ASP  82 -13.113 -10.051  -8.721
  615    H    ASP  83           H        ASP  83 -12.855  -7.299  -8.296
  616    HA   ASP  83           HA       ASP  83 -14.353  -7.127  -5.861
  617   1HB   ASP  83           HB2      ASP  83 -11.955  -6.990  -5.889
  618   2HB   ASP  83           HB3      ASP  83 -12.004  -5.590  -6.972
  619    H    ARG  84           H        ARG  84 -13.962  -4.989  -8.631
  620    HA   ARG  84           HA       ARG  84 -14.867  -2.599  -7.525
  621   1HB   ARG  84           HB2      ARG  84 -14.040  -3.532 -10.116
  622   2HB   ARG  84           HB3      ARG  84 -15.604  -2.775 -10.341
  623   1HG   ARG  84           HG2      ARG  84 -14.163  -1.008 -10.672
  624   2HG   ARG  84           HG3      ARG  84 -14.698  -0.781  -9.006
  625   1HD   ARG  84           HD2      ARG  84 -12.267  -0.449  -9.113
  626   2HD   ARG  84           HD3      ARG  84 -12.662  -1.877  -8.175
  627    HE   ARG  84           HE       ARG  84 -11.616  -3.252  -9.733
  628   1HH1  ARG  84          HH11      ARG  84  -9.877  -2.395 -12.669
  629   2HH1  ARG  84          HH12      ARG  84  -9.855  -3.446 -11.285
  630   1HH2  ARG  84          HH21      ARG  84 -11.149  -0.376 -12.576
  631   2HH2  ARG  84          HH22      ARG  84 -12.254  -0.166 -11.248
  632    HHA  HEM 201           HGM      HEM 201   4.499  11.238   4.689
  633    HHB  HEM 201           HDM      HEM 201   5.848   8.013  -0.750
  634    HHC  HEM 201           HAM      HEM 201   1.161   3.808   0.651
  635    HHD  HEM 201           HBM      HEM 201   0.232   6.696   6.345
  636   1HMA  HEM 201          HM81      HEM 201   6.571  10.366  -0.889
  637   2HMA  HEM 201          HM82      HEM 201   7.446  11.357   0.283
  638   3HMA  HEM 201          HM83      HEM 201   7.834   9.641   0.127
  639   1HAA  HEM 201          HAA1      HEM 201   6.568  12.634   1.820
  640   2HAA  HEM 201          HAA2      HEM 201   5.183  12.689   2.880
  641   1HBA  HEM 201          HBA1      HEM 201   8.040  11.994   3.548
  642   2HBA  HEM 201          HBA2      HEM 201   6.729  11.429   4.599
  643   1HMB  HEM 201          HM11      HEM 201   4.918   4.843  -2.822
  644   2HMB  HEM 201          HM12      HEM 201   4.964   6.615  -2.925
  645   3HMB  HEM 201          HM13      HEM 201   6.147   5.734  -1.929
  646    HAB  HEM 201          HT2A      HEM 201   2.733   2.922  -1.491
  647   1HBB  HEM 201          HV2C      HEM 201   1.115   5.237  -2.504
  648   2HBB  HEM 201          HV2T      HEM 201   1.000   3.416  -2.928
  649   1HMC  HEM 201          HM31      HEM 201  -1.308   2.632   3.344
  650   2HMC  HEM 201          HM32      HEM 201  -1.553   3.603   1.893
  651   3HMC  HEM 201          HM33      HEM 201  -0.175   2.483   1.991
  652    HAC  HEM 201          HT4A      HEM 201  -2.013   5.495   5.453
  653   1HBC  HEM 201          HV4C      HEM 201  -0.809   2.687   5.646
  654   2HBC  HEM 201          HV4T      HEM 201  -2.266   3.362   6.585
  655   1HMD  HEM 201          HM51      HEM 201   1.466   9.459   8.700
  656   2HMD  HEM 201          HM52      HEM 201   0.287   8.346   8.009
  657   3HMD  HEM 201          HM53      HEM 201   1.878   7.760   8.526
  658   1HAD  HEM 201          HAD1      HEM 201   3.736  10.350   8.150
  659   2HAD  HEM 201          HAD2      HEM 201   4.157  11.438   6.852
  660   1HBD  HEM 201          HBD1      HEM 201   2.346  12.753   7.122
  661   2HBD  HEM 201          HBD2      HEM 201   1.321  11.458   7.734
  Start of MODEL   29
    1   1H    ALA   3           H1       ALA   3   1.640  -4.392 -19.046
    2   2H    ALA   3           H2       ALA   3   2.822  -4.936 -18.055
    3   3H    ALA   3           H3       ALA   3   2.952  -5.169 -19.697
    4    HA   ALA   3           HA       ALA   3   1.052  -6.646 -19.630
    5   1HB   ALA   3           HB1      ALA   3   2.686  -8.192 -19.315
    6   2HB   ALA   3           HB2      ALA   3   3.588  -7.159 -18.192
    7   3HB   ALA   3           HB3      ALA   3   2.254  -8.158 -17.599
    8    H    VAL   4           H        VAL   4  -0.984  -6.766 -18.677
    9    HA   VAL   4           HA       VAL   4  -1.271  -5.347 -16.102
   10    HB   VAL   4           HB       VAL   4  -2.586  -4.643 -18.072
   11   1HG1  VAL   4          HG11      VAL   4  -4.606  -5.916 -18.707
   12   2HG1  VAL   4          HG12      VAL   4  -3.129  -6.787 -19.139
   13   3HG1  VAL   4          HG13      VAL   4  -4.079  -7.285 -17.720
   14   1HG2  VAL   4          HG21      VAL   4  -4.661  -4.323 -16.850
   15   2HG2  VAL   4          HG22      VAL   4  -4.221  -5.594 -15.694
   16   3HG2  VAL   4          HG23      VAL   4  -3.266  -4.097 -15.790
   17    H    LYS   5           H        LYS   5  -2.236  -6.289 -14.311
   18    HA   LYS   5           HA       LYS   5  -3.369  -8.914 -14.448
   19   1HB   LYS   5           HB2      LYS   5  -0.677  -9.067 -14.155
   20   2HB   LYS   5           HB3      LYS   5  -1.105  -8.818 -12.457
   21   1HG   LYS   5           HG2      LYS   5  -2.680 -10.763 -12.621
   22   2HG   LYS   5           HG3      LYS   5  -2.265 -10.935 -14.332
   23   1HD   LYS   5           HD2      LYS   5   0.247 -10.946 -13.010
   24   2HD   LYS   5           HD3      LYS   5  -0.821 -11.816 -11.915
   25   1HE   LYS   5           HE2      LYS   5   0.138 -13.465 -13.305
   26   2HE   LYS   5           HE3      LYS   5  -1.529 -13.296 -13.868
   27   1HZ   LYS   5           HZ1      LYS   5   0.258 -13.380 -15.594
   28   2HZ   LYS   5           HZ2      LYS   5  -0.766 -12.101 -15.742
   29   3HZ   LYS   5           HZ3      LYS   5   0.740 -11.885 -15.118
   30    H    TYR   6           H        TYR   6  -5.119  -8.699 -13.182
   31    HA   TYR   6           HA       TYR   6  -5.190  -6.477 -11.283
   32   1HB   TYR   6           HB2      TYR   6  -7.538  -8.205 -11.964
   33   2HB   TYR   6           HB3      TYR   6  -7.437  -6.524 -11.426
   34    HD1  TYR   6           HD1      TYR   6  -7.235  -4.707 -12.995
   35    HD2  TYR   6           HD2      TYR   6  -7.133  -8.800 -14.331
   36    HE1  TYR   6           HE1      TYR   6  -7.221  -3.933 -15.341
   37    HE2  TYR   6           HE2      TYR   6  -7.161  -8.028 -16.689
   38    HH   TYR   6           HH       TYR   6  -7.213  -4.565 -17.559
   39    H    TYR   7           H        TYR   7  -5.690  -6.914  -9.011
   40    HA   TYR   7           HA       TYR   7  -5.648  -9.805  -8.208
   41   1HB   TYR   7           HB2      TYR   7  -4.403  -7.492  -6.719
   42   2HB   TYR   7           HB3      TYR   7  -4.374  -9.191  -6.258
   43    HD1  TYR   7           HD1      TYR   7  -2.257  -6.756  -7.422
   44    HD2  TYR   7           HD2      TYR   7  -3.555 -10.740  -8.451
   45    HE1  TYR   7           HE1      TYR   7  -0.166  -7.115  -8.699
   46    HE2  TYR   7           HE2      TYR   7  -1.480 -11.089  -9.720
   47    HH   TYR   7           HH       TYR   7   0.581 -10.220 -10.286
   48    H    THR   8           H        THR   8  -7.077 -10.458  -6.732
   49    HA   THR   8           HA       THR   8  -9.427  -8.802  -6.288
   50    HB   THR   8           HB       THR   8 -10.385 -10.739  -5.338
   51    HG1  THR   8           HG1      THR   8  -8.330 -12.516  -5.296
   52   1HG2  THR   8          HG21      THR   8 -10.508 -12.003  -7.218
   53   2HG2  THR   8          HG22      THR   8  -9.464 -10.767  -7.917
   54   3HG2  THR   8          HG23      THR   8  -8.757 -12.271  -7.313
   55    H    LEU   9           H        LEU   9 -10.239  -8.170  -4.185
   56    HA   LEU   9           HA       LEU   9  -8.396  -7.070  -2.441
   57   1HB   LEU   9           HB2      LEU   9 -11.163  -7.192  -2.642
   58   2HB   LEU   9           HB3      LEU   9 -10.889  -7.998  -1.128
   59    HG   LEU   9           HG       LEU   9  -9.934  -5.231  -1.935
   60   1HD1  LEU   9          HD11      LEU   9 -11.738  -4.355  -0.941
   61   2HD1  LEU   9          HD12      LEU   9 -12.435  -5.984  -0.961
   62   3HD1  LEU   9          HD13      LEU   9 -11.609  -5.399   0.485
   63   1HD2  LEU   9          HD21      LEU   9  -9.574  -6.560   0.793
   64   2HD2  LEU   9          HD22      LEU   9  -8.259  -6.243  -0.353
   65   3HD2  LEU   9          HD23      LEU   9  -9.141  -4.893   0.363
   66    H    GLU  10           H        GLU  10  -9.901 -10.279  -2.399
   67    HA   GLU  10           HA       GLU  10  -8.882 -11.245   0.028
   68   1HB   GLU  10           HB2      GLU  10 -10.605 -12.325  -1.507
   69   2HB   GLU  10           HB3      GLU  10  -9.257 -12.941  -2.456
   70   1HG   GLU  10           HG2      GLU  10  -9.890 -14.653  -0.868
   71   2HG   GLU  10           HG3      GLU  10  -8.320 -14.010  -0.390
   72    H    GLU  11           H        GLU  11  -7.539 -11.790  -3.278
   73    HA   GLU  11           HA       GLU  11  -5.176 -13.046  -2.477
   74   1HB   GLU  11           HB2      GLU  11  -6.076 -11.559  -4.905
   75   2HB   GLU  11           HB3      GLU  11  -4.343 -11.546  -4.640
   76   1HG   GLU  11           HG2      GLU  11  -4.890 -13.476  -6.001
   77   2HG   GLU  11           HG3      GLU  11  -4.327 -14.025  -4.419
   78    H    ILE  12           H        ILE  12  -5.758  -9.545  -2.920
   79    HA   ILE  12           HA       ILE  12  -3.164  -8.705  -2.135
   80    HB   ILE  12           HB       ILE  12  -5.841  -7.284  -1.867
   81   1HG1  ILE  12          HG12      ILE  12  -3.827  -6.853  -4.101
   82   2HG1  ILE  12          HG13      ILE  12  -4.969  -8.164  -4.250
   83   1HG2  ILE  12          HG21      ILE  12  -3.950  -6.213  -0.556
   84   2HG2  ILE  12          HG22      ILE  12  -3.047  -6.110  -2.077
   85   3HG2  ILE  12          HG23      ILE  12  -4.544  -5.205  -1.873
   86   1HD1  ILE  12          HD11      ILE  12  -5.800  -5.309  -3.775
   87   2HD1  ILE  12          HD12      ILE  12  -5.748  -6.084  -5.355
   88   3HD1  ILE  12          HD13      ILE  12  -6.869  -6.668  -4.129
   89    H    GLN  13           H        GLN  13  -6.092  -9.290  -0.172
   90    HA   GLN  13           HA       GLN  13  -5.049  -8.662   2.386
   91   1HB   GLN  13           HB2      GLN  13  -7.368 -10.212   1.282
   92   2HB   GLN  13           HB3      GLN  13  -6.861 -10.625   2.891
   93   1HG   GLN  13           HG2      GLN  13  -7.034  -7.711   2.577
   94   2HG   GLN  13           HG3      GLN  13  -8.527  -8.491   2.108
   95   1HE2  GLN  13          HE21      GLN  13  -9.661  -9.861   3.611
   96   2HE2  GLN  13          HE22      GLN  13  -9.362  -9.717   5.337
   97    H    LYS  14           H        LYS  14  -4.652 -11.636   0.425
   98    HA   LYS  14           HA       LYS  14  -3.682 -13.202   2.605
   99   1HB   LYS  14           HB2      LYS  14  -3.025 -13.369  -0.352
  100   2HB   LYS  14           HB3      LYS  14  -2.523 -14.529   0.854
  101   1HG   LYS  14           HG2      LYS  14  -5.431 -14.065   1.018
  102   2HG   LYS  14           HG3      LYS  14  -4.943 -14.413  -0.636
  103   1HD   LYS  14           HD2      LYS  14  -3.575 -16.402   0.400
  104   2HD   LYS  14           HD3      LYS  14  -4.617 -16.146   1.818
  105   1HE   LYS  14           HE2      LYS  14  -6.619 -16.388   0.225
  106   2HE   LYS  14           HE3      LYS  14  -5.466 -16.754  -1.069
  107   1HZ   LYS  14           HZ1      LYS  14  -5.921 -18.336   1.367
  108   2HZ   LYS  14           HZ2      LYS  14  -6.288 -18.756  -0.180
  109   3HZ   LYS  14           HZ3      LYS  14  -4.715 -18.640   0.284
  110    H    HIS  15           H        HIS  15  -2.222 -10.407   1.119
  111    HA   HIS  15           HA       HIS  15   0.525 -11.168   2.047
  112   1HB   HIS  15           HB2      HIS  15  -0.507  -9.200  -0.011
  113   2HB   HIS  15           HB3      HIS  15   1.173  -9.302   0.511
  114    HD1  HIS  15           HD1      HIS  15   2.457 -10.397  -1.401
  115    HD2  HIS  15           HD2      HIS  15  -1.357 -12.022  -0.799
  116    HE1  HIS  15           HE1      HIS  15   2.171 -12.267  -3.126
  117    H    ASN  16           H        ASN  16  -0.198 -10.637   4.309
  118    HA   ASN  16           HA       ASN  16   0.420  -7.849   4.985
  119   1HB   ASN  16           HB2      ASN  16  -1.704  -7.442   6.169
  120   2HB   ASN  16           HB3      ASN  16  -1.906  -7.625   4.427
  121   1HD2  ASN  16          HD21      ASN  16  -4.245  -7.874   5.530
  122   2HD2  ASN  16          HD22      ASN  16  -4.701  -9.559   5.619
  123    H    ASN  17           H        ASN  17   2.040  -9.773   5.733
  124    HA   ASN  17           HA       ASN  17   1.677 -10.000   8.661
  125   1HB   ASN  17           HB2      ASN  17   1.780 -12.458   8.651
  126   2HB   ASN  17           HB3      ASN  17   0.314 -11.870   7.865
  127   1HD2  ASN  17          HD21      ASN  17   0.741 -14.370   7.227
  128   2HD2  ASN  17          HD22      ASN  17   1.453 -14.523   5.630
  129    H    SER  18           H        SER  18   3.587  -8.574   7.334
  130    HA   SER  18           HA       SER  18   5.798  -8.168   7.466
  131   1HB   SER  18           HB2      SER  18   5.710  -9.693   9.579
  132   2HB   SER  18           HB3      SER  18   6.437 -10.934   8.542
  133    HG   SER  18           HG       SER  18   7.494  -8.324   8.939
  134    H    LYS  19           H        LYS  19   5.079 -11.506   6.365
  135    HA   LYS  19           HA       LYS  19   7.189 -11.894   4.650
  136   1HB   LYS  19           HB2      LYS  19   5.317 -13.470   5.350
  137   2HB   LYS  19           HB3      LYS  19   4.323 -12.782   4.059
  138   1HG   LYS  19           HG2      LYS  19   5.592 -13.722   2.359
  139   2HG   LYS  19           HG3      LYS  19   7.084 -13.664   3.302
  140   1HD   LYS  19           HD2      LYS  19   6.018 -15.480   4.817
  141   2HD   LYS  19           HD3      LYS  19   4.842 -15.703   3.504
  142   1HE   LYS  19           HE2      LYS  19   6.726 -16.184   1.933
  143   2HE   LYS  19           HE3      LYS  19   7.898 -15.828   3.214
  144   1HZ   LYS  19           HZ1      LYS  19   7.610 -18.158   2.980
  145   2HZ   LYS  19           HZ2      LYS  19   7.053 -17.691   4.453
  146   3HZ   LYS  19           HZ3      LYS  19   5.990 -18.063   3.249
  147    H    SER  20           H        SER  20   4.145 -10.108   3.971
  148    HA   SER  20           HA       SER  20   5.551  -8.481   2.082
  149   1HB   SER  20           HB2      SER  20   3.648  -8.852   0.366
  150   2HB   SER  20           HB3      SER  20   5.045  -9.938   0.400
  151    HG   SER  20           HG       SER  20   3.607 -11.459   0.620
  152    H    THR  21           H        THR  21   4.253  -6.598   1.557
  153    HA   THR  21           HA       THR  21   1.887  -6.055   3.278
  154    HB   THR  21           HB       THR  21   4.335  -4.330   2.773
  155    HG1  THR  21           HG1      THR  21   3.288  -5.634   5.042
  156   1HG2  THR  21          HG21      THR  21   1.677  -3.429   3.279
  157   2HG2  THR  21          HG22      THR  21   2.614  -3.192   4.768
  158   3HG2  THR  21          HG23      THR  21   3.164  -2.507   3.231
  159    H    TRP  22           H        TRP  22   0.541  -6.397   1.519
  160    HA   TRP  22           HA       TRP  22   0.853  -4.557  -0.826
  161   1HB   TRP  22           HB2      TRP  22  -0.906  -6.988  -0.338
  162   2HB   TRP  22           HB3      TRP  22  -0.949  -5.934  -1.754
  163    HD1  TRP  22           HD1      TRP  22   2.559  -6.670  -0.720
  164    HE1  TRP  22           HE1      TRP  22   3.670  -8.035  -2.415
  165    HE3  TRP  22           HE3      TRP  22  -1.579  -7.897  -3.439
  166    HZ2  TRP  22           HZ2      TRP  22   2.883  -9.629  -4.790
  167    HZ3  TRP  22           HZ3      TRP  22  -1.387  -9.389  -5.393
  168    HH2  TRP  22           HH2      TRP  22   0.845 -10.234  -6.110
  169    H    LEU  23           H        LEU  23  -1.498  -3.783  -1.481
  170    HA   LEU  23           HA       LEU  23  -3.564  -3.397   0.343
  171   1HB   LEU  23           HB2      LEU  23  -3.109  -0.921   0.899
  172   2HB   LEU  23           HB3      LEU  23  -2.345  -2.150   1.854
  173    HG   LEU  23           HG       LEU  23  -0.251  -1.850   0.295
  174   1HD1  LEU  23          HD11      LEU  23  -1.802   0.660  -0.314
  175   2HD1  LEU  23          HD12      LEU  23  -0.073   0.448  -0.615
  176   3HD1  LEU  23          HD13      LEU  23  -1.239  -0.532  -1.507
  177   1HD2  LEU  23          HD21      LEU  23  -0.309  -1.180   2.615
  178   2HD2  LEU  23          HD22      LEU  23   0.478   0.054   1.609
  179   3HD2  LEU  23          HD23      LEU  23  -1.196   0.301   2.191
  180    H    ILE  24           H        ILE  24  -4.946  -1.476  -0.392
  181    HA   ILE  24           HA       ILE  24  -4.601  -1.079  -3.352
  182    HB   ILE  24           HB       ILE  24  -7.125  -1.296  -1.727
  183   1HG1  ILE  24          HG12      ILE  24  -6.522  -3.175  -3.981
  184   2HG1  ILE  24          HG13      ILE  24  -5.494  -3.362  -2.588
  185   1HG2  ILE  24          HG21      ILE  24  -7.363   0.259  -3.685
  186   2HG2  ILE  24          HG22      ILE  24  -6.812  -1.052  -4.748
  187   3HG2  ILE  24          HG23      ILE  24  -8.327  -1.214  -3.831
  188   1HD1  ILE  24          HD11      ILE  24  -7.476  -3.456  -1.059
  189   2HD1  ILE  24          HD12      ILE  24  -8.529  -3.435  -2.481
  190   3HD1  ILE  24          HD13      ILE  24  -7.414  -4.793  -2.210
  191    H    LEU  25           H        LEU  25  -3.982   0.916  -3.778
  192    HA   LEU  25           HA       LEU  25  -5.136   3.270  -2.299
  193   1HB   LEU  25           HB2      LEU  25  -2.403   2.677  -3.367
  194   2HB   LEU  25           HB3      LEU  25  -2.986   4.333  -3.378
  195    HG   LEU  25           HG       LEU  25  -2.631   4.694  -1.269
  196   1HD1  LEU  25          HD11      LEU  25  -4.279   3.411  -0.359
  197   2HD1  LEU  25          HD12      LEU  25  -3.478   1.874  -0.738
  198   3HD1  LEU  25          HD13      LEU  25  -2.824   2.933   0.507
  199   1HD2  LEU  25          HD21      LEU  25  -0.424   4.112  -1.780
  200   2HD2  LEU  25          HD22      LEU  25  -0.742   3.132  -0.347
  201   3HD2  LEU  25          HD23      LEU  25  -0.775   2.382  -1.931
  202    H    HIS  26           H        HIS  26  -6.937   3.391  -3.576
  203    HA   HIS  26           HA       HIS  26  -8.149   4.228  -5.285
  204   1HB   HIS  26           HB2      HIS  26  -5.604   5.112  -6.688
  205   2HB   HIS  26           HB3      HIS  26  -7.245   5.731  -6.880
  206    HD1  HIS  26           HD1      HIS  26  -8.080   7.462  -4.985
  207    HD2  HIS  26           HD2      HIS  26  -4.210   5.866  -4.536
  208    HE1  HIS  26           HE1      HIS  26  -6.909   8.889  -3.277
  209    H    TYR  27           H        TYR  27  -7.972   1.680  -5.333
  210    HA   TYR  27           HA       TYR  27  -8.256  -0.192  -6.556
  211   1HB   TYR  27           HB2      TYR  27  -8.563   1.695  -8.920
  212   2HB   TYR  27           HB3      TYR  27  -9.168   0.057  -8.790
  213    HD1  TYR  27           HD1      TYR  27 -10.186   0.605  -5.729
  214    HD2  TYR  27           HD2      TYR  27 -10.802   2.430  -9.595
  215    HE1  TYR  27           HE1      TYR  27 -12.484   1.149  -5.102
  216    HE2  TYR  27           HE2      TYR  27 -13.106   3.033  -8.921
  217    HH   TYR  27           HH       TYR  27 -14.579   1.854  -5.929
  218    H    LYS  28           H        LYS  28  -5.503   0.893  -6.273
  219    HA   LYS  28           HA       LYS  28  -4.211  -0.650  -8.458
  220   1HB   LYS  28           HB2      LYS  28  -3.498   2.076  -7.380
  221   2HB   LYS  28           HB3      LYS  28  -2.359   1.067  -8.295
  222   1HG   LYS  28           HG2      LYS  28  -3.825   1.116 -10.250
  223   2HG   LYS  28           HG3      LYS  28  -5.105   1.895  -9.308
  224   1HD   LYS  28           HD2      LYS  28  -3.334   3.780  -8.888
  225   2HD   LYS  28           HD3      LYS  28  -2.482   3.064 -10.260
  226   1HE   LYS  28           HE2      LYS  28  -3.835   4.275 -11.633
  227   2HE   LYS  28           HE3      LYS  28  -5.164   3.224 -11.155
  228   1HZ   LYS  28           HZ1      LYS  28  -5.631   4.707  -9.331
  229   2HZ   LYS  28           HZ2      LYS  28  -4.393   5.707  -9.784
  230   3HZ   LYS  28           HZ3      LYS  28  -5.694   5.515 -10.773
  231    H    VAL  29           H        VAL  29  -2.899  -2.141  -7.657
  232    HA   VAL  29           HA       VAL  29  -2.501  -2.298  -4.788
  233    HB   VAL  29           HB       VAL  29  -1.662  -4.319  -6.876
  234   1HG1  VAL  29          HG11      VAL  29  -2.546  -4.611  -3.966
  235   2HG1  VAL  29          HG12      VAL  29  -1.918  -5.894  -5.022
  236   3HG1  VAL  29          HG13      VAL  29  -0.853  -4.591  -4.481
  237   1HG2  VAL  29          HG21      VAL  29  -3.985  -3.905  -7.334
  238   2HG2  VAL  29          HG22      VAL  29  -3.861  -5.394  -6.413
  239   3HG2  VAL  29          HG23      VAL  29  -4.389  -3.904  -5.600
  240    H    TYR  30           H        TYR  30  -0.587  -2.174  -3.755
  241    HA   TYR  30           HA       TYR  30   1.910  -1.601  -5.299
  242   1HB   TYR  30           HB2      TYR  30   0.854  -0.173  -2.832
  243   2HB   TYR  30           HB3      TYR  30   2.394   0.129  -3.631
  244    HD1  TYR  30           HD1      TYR  30   2.429   1.114  -5.906
  245    HD2  TYR  30           HD2      TYR  30  -1.278   0.551  -3.847
  246    HE1  TYR  30           HE1      TYR  30   1.277   2.636  -7.532
  247    HE2  TYR  30           HE2      TYR  30  -2.380   2.099  -5.439
  248    HH   TYR  30           HH       TYR  30  -0.709   3.477  -8.208
  249    H    ASP  31           H        ASP  31   3.171  -3.340  -4.865
  250    HA   ASP  31           HA       ASP  31   3.095  -4.720  -2.229
  251   1HB   ASP  31           HB2      ASP  31   3.361  -6.155  -4.202
  252   2HB   ASP  31           HB3      ASP  31   4.720  -5.153  -4.758
  253    H    LEU  32           H        LEU  32   4.122  -3.456  -0.671
  254    HA   LEU  32           HA       LEU  32   6.730  -2.262  -1.465
  255   1HB   LEU  32           HB2      LEU  32   5.064  -1.442   0.926
  256   2HB   LEU  32           HB3      LEU  32   6.551  -0.777   0.293
  257    HG   LEU  32           HG       LEU  32   4.922  -0.695  -1.955
  258   1HD1  LEU  32          HD11      LEU  32   3.163   0.061   0.410
  259   2HD1  LEU  32          HD12      LEU  32   2.727  -0.065  -1.320
  260   3HD1  LEU  32          HD13      LEU  32   3.064  -1.511  -0.384
  261   1HD2  LEU  32          HD21      LEU  32   5.163   1.506   0.113
  262   2HD2  LEU  32          HD22      LEU  32   6.419   1.068  -1.065
  263   3HD2  LEU  32          HD23      LEU  32   4.865   1.674  -1.641
  264    H    THR  33           H        THR  33   5.763  -3.062   1.812
  265    HA   THR  33           HA       THR  33   6.609  -4.304   3.362
  266    HB   THR  33           HB       THR  33   6.204  -6.099   1.365
  267    HG1  THR  33           HG1      THR  33   5.624  -6.060   3.673
  268   1HG2  THR  33          HG21      THR  33   7.881  -7.851   1.639
  269   2HG2  THR  33          HG22      THR  33   8.565  -6.439   0.832
  270   3HG2  THR  33          HG23      THR  33   8.925  -6.755   2.552
  271    H    LYS  34           H        LYS  34   9.086  -4.262   0.746
  272    HA   LYS  34           HA       LYS  34  11.248  -4.181   2.682
  273   1HB   LYS  34           HB2      LYS  34  11.109  -5.095   0.152
  274   2HB   LYS  34           HB3      LYS  34  11.639  -3.443  -0.213
  275   1HG   LYS  34           HG2      LYS  34  13.547  -3.745   1.358
  276   2HG   LYS  34           HG3      LYS  34  12.967  -5.378   1.748
  277   1HD   LYS  34           HD2      LYS  34  13.325  -6.196  -0.452
  278   2HD   LYS  34           HD3      LYS  34  13.641  -4.591  -1.117
  279   1HE   LYS  34           HE2      LYS  34  15.368  -5.680   1.147
  280   2HE   LYS  34           HE3      LYS  34  15.654  -6.230  -0.508
  281   1HZ   LYS  34           HZ1      LYS  34  17.007  -4.328   0.078
  282   2HZ   LYS  34           HZ2      LYS  34  16.008  -3.981  -1.179
  283   3HZ   LYS  34           HZ3      LYS  34  15.672  -3.398   0.322
  284    H    PHE  35           H        PHE  35   9.000  -1.941   1.660
  285    HA   PHE  35           HA       PHE  35  10.781   0.399   2.058
  286   1HB   PHE  35           HB2      PHE  35   9.172  -0.034  -0.009
  287   2HB   PHE  35           HB3      PHE  35   7.950   0.473   1.127
  288    HD1  PHE  35           HD1      PHE  35   7.282   2.727   0.831
  289    HD2  PHE  35           HD2      PHE  35  11.416   1.654   0.154
  290    HE1  PHE  35           HE1      PHE  35   7.780   5.048   0.136
  291    HE2  PHE  35           HE2      PHE  35  11.910   3.982  -0.477
  292    HZ   PHE  35           HZ       PHE  35  10.094   5.685  -0.525
  293    H    LEU  36           H        LEU  36   8.937  -1.668   3.993
  294    HA   LEU  36           HA       LEU  36   7.186   0.121   5.277
  295   1HB   LEU  36           HB2      LEU  36   8.745  -2.287   6.337
  296   2HB   LEU  36           HB3      LEU  36   7.453  -1.494   7.241
  297    HG   LEU  36           HG       LEU  36   6.976  -2.561   4.484
  298   1HD1  LEU  36          HD11      LEU  36   7.721  -4.500   5.813
  299   2HD1  LEU  36          HD12      LEU  36   6.805  -3.938   7.221
  300   3HD1  LEU  36          HD13      LEU  36   5.958  -4.564   5.805
  301   1HD2  LEU  36          HD21      LEU  36   4.925  -2.267   6.657
  302   2HD2  LEU  36          HD22      LEU  36   5.395  -0.907   5.615
  303   3HD2  LEU  36          HD23      LEU  36   4.764  -2.375   4.887
  304    H    GLU  37           H        GLU  37  10.473  -0.814   6.387
  305    HA   GLU  37           HA       GLU  37  10.517   1.127   8.443
  306   1HB   GLU  37           HB2      GLU  37  12.136  -0.989   7.803
  307   2HB   GLU  37           HB3      GLU  37  13.124   0.342   7.190
  308   1HG   GLU  37           HG2      GLU  37  12.441   1.346   9.644
  309   2HG   GLU  37           HG3      GLU  37  12.325  -0.384   9.987
  310    H    GLU  38           H        GLU  38  11.432   1.250   5.020
  311    HA   GLU  38           HA       GLU  38  12.826   3.736   5.011
  312   1HB   GLU  38           HB2      GLU  38  11.233   2.335   2.853
  313   2HB   GLU  38           HB3      GLU  38  12.281   3.694   2.576
  314   1HG   GLU  38           HG2      GLU  38  13.895   1.827   4.006
  315   2HG   GLU  38           HG3      GLU  38  13.019   0.882   2.795
  316    H    HIS  39           HN       HIS  39   9.413   2.870   4.493
  317    HA   HIS  39           HA       HIS  39   8.403   5.251   3.508
  318   1HB   HIS  39           HB2      HIS  39   7.064   3.310   3.498
  319   2HB   HIS  39           HB3      HIS  39   7.102   3.186   5.264
  320    HD1  HIS  39           HND      HIS  39   4.989   4.108   6.387
  321    HD2  HIS  39           HD       HIS  39   5.804   5.772   2.602
  322    HE1  HIS  39           HE       HIS  39   3.019   5.542   5.808
  323    HA   PRO  40           HA       PRO  40   9.225   7.520   7.367
  324   1HB   PRO  40           HB2      PRO  40   9.060  10.092   6.326
  325   2HB   PRO  40           HB3      PRO  40  10.473   9.019   6.238
  326   1HG   PRO  40           HG2      PRO  40   8.607   9.723   4.029
  327   2HG   PRO  40           HG3      PRO  40  10.295   9.178   3.975
  328   1HD   PRO  40           HD2      PRO  40   7.897   7.638   3.585
  329   2HD   PRO  40           HD3      PRO  40   9.591   7.076   3.585
  330    H    GLY  41           H        GLY  41   6.983   6.342   7.647
  331   1HA   GLY  41           HA1      GLY  41   5.139   8.246   8.749
  332   2HA   GLY  41           HA2      GLY  41   4.576   7.655   7.160
  333    H    GLY  42           H        GLY  42   6.252   6.141   9.924
  334   1HA   GLY  42           HA1      GLY  42   5.667   4.432  11.325
  335   2HA   GLY  42           HA2      GLY  42   3.980   4.730  10.899
  336    H    GLU  43           H        GLU  43   6.761   2.678  10.397
  337    HA   GLU  43           HA       GLU  43   5.995   1.204   8.137
  338   1HB   GLU  43           HB2      GLU  43   7.321  -0.593   9.143
  339   2HB   GLU  43           HB3      GLU  43   8.128   0.962   9.337
  340   1HG   GLU  43           HG2      GLU  43   7.215   0.982  11.741
  341   2HG   GLU  43           HG3      GLU  43   6.678  -0.694  11.442
  342    H    ALA  44           H        ALA  44   5.077   0.790  11.546
  343    HA   ALA  44           HA       ALA  44   3.322  -1.366  11.265
  344   1HB   ALA  44           HB1      ALA  44   4.186  -0.490  13.434
  345   2HB   ALA  44           HB2      ALA  44   3.072   0.893  13.289
  346   3HB   ALA  44           HB3      ALA  44   2.431  -0.757  13.430
  347    H    VAL  45           H        VAL  45   2.711   2.102  10.692
  348    HA   VAL  45           HA       VAL  45  -0.173   1.898  10.476
  349    HB   VAL  45           HB       VAL  45   1.922   3.913   9.619
  350   1HG1  VAL  45          HG11      VAL  45   0.337   4.128   7.876
  351   2HG1  VAL  45          HG12      VAL  45  -1.033   4.084   9.028
  352   3HG1  VAL  45          HG13      VAL  45   0.095   5.457   9.007
  353   1HG2  VAL  45          HG21      VAL  45   0.804   3.490  12.066
  354   2HG2  VAL  45          HG22      VAL  45   1.349   5.069  11.473
  355   3HG2  VAL  45          HG23      VAL  45  -0.366   4.625  11.371
  356    H    LEU  46           H        LEU  46   2.513   1.989   8.071
  357    HA   LEU  46           HA       LEU  46   0.886   1.368   5.844
  358   1HB   LEU  46           HB2      LEU  46   3.723   1.586   6.349
  359   2HB   LEU  46           HB3      LEU  46   3.415   0.111   5.434
  360    HG   LEU  46           HG       LEU  46   2.553   2.911   4.627
  361   1HD1  LEU  46          HD11      LEU  46   4.461   1.045   3.164
  362   2HD1  LEU  46          HD12      LEU  46   4.246   2.796   2.973
  363   3HD1  LEU  46          HD13      LEU  46   5.032   2.134   4.428
  364   1HD2  LEU  46          HD21      LEU  46   2.087   0.189   3.348
  365   2HD2  LEU  46          HD22      LEU  46   0.881   1.451   3.683
  366   3HD2  LEU  46          HD23      LEU  46   2.070   1.693   2.404
  367    H    ARG  47           H        ARG  47   2.205  -0.747   8.336
  368    HA   ARG  47           HA       ARG  47   1.575  -3.156   6.882
  369   1HB   ARG  47           HB2      ARG  47   3.413  -2.705   8.646
  370   2HB   ARG  47           HB3      ARG  47   2.173  -3.094   9.840
  371   1HG   ARG  47           HG2      ARG  47   2.665  -4.948   7.466
  372   2HG   ARG  47           HG3      ARG  47   3.842  -4.913   8.767
  373   1HD   ARG  47           HD2      ARG  47   0.879  -5.398   9.248
  374   2HD   ARG  47           HD3      ARG  47   2.052  -6.693   8.956
  375    HE   ARG  47           HE       ARG  47   3.246  -5.241  10.944
  376   1HH1  ARG  47          HH11      ARG  47   1.707  -6.569  13.808
  377   2HH1  ARG  47          HH12      ARG  47   3.105  -5.765  13.176
  378   1HH2  ARG  47          HH21      ARG  47  -0.073  -7.159  12.329
  379   2HH2  ARG  47          HH22      ARG  47   0.090  -6.784  10.643
  380    H    ALA  48           H        ALA  48  -0.012  -1.318   9.480
  381    HA   ALA  48           HA       ALA  48  -2.082  -3.220  10.097
  382   1HB   ALA  48           HB1      ALA  48  -1.503  -0.324  10.631
  383   2HB   ALA  48           HB2      ALA  48  -3.195  -0.838  10.757
  384   3HB   ALA  48           HB3      ALA  48  -1.957  -1.630  11.749
  385    H    GLN  49           H        GLN  49  -1.828  -0.473   7.817
  386    HA   GLN  49           HA       GLN  49  -4.487  -1.005   6.714
  387   1HB   GLN  49           HB2      GLN  49  -2.161   0.835   6.235
  388   2HB   GLN  49           HB3      GLN  49  -3.289   0.643   4.931
  389   1HG   GLN  49           HG2      GLN  49  -4.035   1.562   7.739
  390   2HG   GLN  49           HG3      GLN  49  -3.943   2.570   6.281
  391   1HE2  GLN  49          HE21      GLN  49  -6.314   2.582   7.746
  392   2HE2  GLN  49          HE22      GLN  49  -7.527   1.744   6.779
  393    H    ALA  50           H        ALA  50  -1.471  -2.547   6.365
  394    HA   ALA  50           HA       ALA  50  -1.585  -3.122   3.614
  395   1HB   ALA  50           HB1      ALA  50  -0.047  -4.904   3.998
  396   2HB   ALA  50           HB2      ALA  50   0.370  -3.587   5.113
  397   3HB   ALA  50           HB3      ALA  50  -0.485  -5.033   5.703
  398    H    GLY  51           H        GLY  51  -2.295  -5.018   2.529
  399   1HA   GLY  51           HA1      GLY  51  -3.916  -6.494   1.895
  400   2HA   GLY  51           HA2      GLY  51  -3.859  -7.129   3.547
  401    H    GLY  52           H        GLY  52  -4.978  -4.084   1.917
  402   1HA   GLY  52           HA1      GLY  52  -7.718  -4.550   2.388
  403   2HA   GLY  52           HA2      GLY  52  -7.078  -3.568   3.725
  404    H    ASP  53           H        ASP  53  -8.925  -2.276   2.382
  405    HA   ASP  53           HA       ASP  53  -7.845  -0.608   0.253
  406   1HB   ASP  53           HB2      ASP  53  -9.938   0.636   0.622
  407   2HB   ASP  53           HB3      ASP  53 -10.233  -1.082   0.308
  408    H    ALA  54           H        ALA  54  -6.235   0.723   0.799
  409    HA   ALA  54           HA       ALA  54  -6.379   2.142   3.459
  410   1HB   ALA  54           HB1      ALA  54  -4.455   0.597   3.187
  411   2HB   ALA  54           HB2      ALA  54  -3.925   1.526   1.789
  412   3HB   ALA  54           HB3      ALA  54  -3.997   2.330   3.379
  413    H    THR  55           H        THR  55  -7.419   2.587   0.501
  414    HA   THR  55           HA       THR  55  -5.999   4.821  -0.520
  415    HB   THR  55           HB       THR  55  -8.971   4.196  -0.829
  416    HG1  THR  55           HG1      THR  55  -7.061   2.525  -1.373
  417   1HG2  THR  55          HG21      THR  55  -6.871   5.486  -2.599
  418   2HG2  THR  55          HG22      THR  55  -8.565   5.205  -3.077
  419   3HG2  THR  55          HG23      THR  55  -8.180   6.373  -1.792
  420    H    ALA  56           H        ALA  56  -8.873   4.616   1.593
  421    HA   ALA  56           HA       ALA  56  -9.238   7.401   2.014
  422   1HB   ALA  56           HB1      ALA  56 -10.476   6.678   4.047
  423   2HB   ALA  56           HB2      ALA  56 -10.958   5.775   2.598
  424   3HB   ALA  56           HB3      ALA  56  -9.891   5.018   3.805
  425    H    ASN  57           H        ASN  57  -7.134   5.009   3.643
  426    HA   ASN  57           HA       ASN  57  -6.408   6.767   5.791
  427   1HB   ASN  57           HB2      ASN  57  -6.133   4.090   5.372
  428   2HB   ASN  57           HB3      ASN  57  -4.498   4.607   4.972
  429   1HD2  ASN  57          HD21      ASN  57  -7.073   4.818   7.478
  430   2HD2  ASN  57          HD22      ASN  57  -5.961   5.003   8.827
  431    H    PHE  58           H        PHE  58  -4.767   5.769   2.790
  432    HA   PHE  58           HA       PHE  58  -2.451   7.313   2.869
  433   1HB   PHE  58           HB2      PHE  58  -2.941   5.580   1.221
  434   2HB   PHE  58           HB3      PHE  58  -4.238   6.532   0.530
  435    HD1  PHE  58           HD1      PHE  58  -3.770   8.478  -0.932
  436    HD2  PHE  58           HD2      PHE  58  -0.595   6.123   0.755
  437    HE1  PHE  58           HE1      PHE  58  -2.189   9.466  -2.525
  438    HE2  PHE  58           HE2      PHE  58   0.974   7.002  -0.964
  439    HZ   PHE  58           HZ       PHE  58   0.178   8.650  -2.631
  440    H    GLU  59           H        GLU  59  -5.650   8.203   1.472
  441    HA   GLU  59           HA       GLU  59  -4.965  10.884   0.796
  442   1HB   GLU  59           HB2      GLU  59  -7.589   9.479   1.350
  443   2HB   GLU  59           HB3      GLU  59  -7.493  11.135   0.731
  444   1HG   GLU  59           HG2      GLU  59  -5.933   8.999  -0.730
  445   2HG   GLU  59           HG3      GLU  59  -7.682   9.022  -0.897
  446    H    ALA  60           H        ALA  60  -6.718   9.557   3.636
  447    HA   ALA  60           HA       ALA  60  -7.322  11.960   4.944
  448   1HB   ALA  60           HB1      ALA  60  -7.424  10.542   7.006
  449   2HB   ALA  60           HB2      ALA  60  -8.292   9.832   5.633
  450   3HB   ALA  60           HB3      ALA  60  -6.696   9.203   6.096
  451    H    VAL  61           H        VAL  61  -4.397   9.927   5.145
  452    HA   VAL  61           HA       VAL  61  -2.969  11.595   7.010
  453    HB   VAL  61           HB       VAL  61  -2.100   9.580   4.910
  454   1HG1  VAL  61          HG11      VAL  61  -0.407  11.498   6.188
  455   2HG1  VAL  61          HG12      VAL  61  -0.210  10.010   7.067
  456   3HG1  VAL  61          HG13      VAL  61   0.061  10.040   5.308
  457   1HG2  VAL  61          HG21      VAL  61  -2.111   9.252   7.943
  458   2HG2  VAL  61          HG22      VAL  61  -3.495   8.801   6.964
  459   3HG2  VAL  61          HG23      VAL  61  -1.943   8.004   6.688
  460    H    GLY  62           H        GLY  62  -2.792  11.272   3.411
  461   1HA   GLY  62           HA1      GLY  62  -2.825  13.225   2.008
  462   2HA   GLY  62           HA2      GLY  62  -1.923  14.144   3.219
  463    H    HIS  63           HN       HIS  63  -1.404  13.240   0.301
  464    HA   HIS  63           HA       HIS  63   1.441  12.518   0.605
  465   1HB   HIS  63           HB2      HIS  63  -0.702  10.795  -0.668
  466   2HB   HIS  63           HB3      HIS  63   0.983  10.659  -1.136
  467    HD1  HIS  63           HND      HIS  63  -1.351   9.738   1.724
  468    HD2  HIS  63           HD       HIS  63   2.696   9.497   0.605
  469    HE1  HIS  63           HE       HIS  63  -0.273   8.061   3.280
  470    H    SER  64           H        SER  64   2.331  14.133  -0.617
  471    HA   SER  64           HA       SER  64   0.992  15.525  -2.659
  472   1HB   SER  64           HB2      SER  64   4.000  15.302  -2.243
  473   2HB   SER  64           HB3      SER  64   3.094  16.675  -2.917
  474    HG   SER  64           HG       SER  64   3.584  17.018  -0.709
  475    H    THR  65           H        THR  65   2.055  15.851  -4.904
  476    HA   THR  65           HA       THR  65   1.528  13.806  -6.563
  477    HB   THR  65           HB       THR  65   3.712  15.846  -7.143
  478    HG1  THR  65           HG1      THR  65   1.950  17.288  -7.498
  479   1HG2  THR  65          HG21      THR  65   1.398  14.751  -8.812
  480   2HG2  THR  65          HG22      THR  65   2.619  15.922  -9.355
  481   3HG2  THR  65          HG23      THR  65   3.099  14.264  -8.961
  482    H    ASP  66           H        ASP  66   4.715  14.659  -5.190
  483    HA   ASP  66           HA       ASP  66   6.328  12.810  -6.497
  484   1HB   ASP  66           HB2      ASP  66   6.664  14.657  -4.413
  485   2HB   ASP  66           HB3      ASP  66   6.822  13.134  -3.538
  486    H    ALA  67           H        ALA  67   4.315  12.316  -3.594
  487    HA   ALA  67           HA       ALA  67   5.267   9.559  -3.157
  488   1HB   ALA  67           HB1      ALA  67   3.227   9.447  -1.681
  489   2HB   ALA  67           HB2      ALA  67   4.354  10.761  -1.266
  490   3HB   ALA  67           HB3      ALA  67   2.857  11.122  -2.138
  491    H    ARG  68           H        ARG  68   2.434  11.257  -4.741
  492    HA   ARG  68           HA       ARG  68   0.847   9.010  -5.420
  493   1HB   ARG  68           HB2      ARG  68   1.245  11.579  -7.009
  494   2HB   ARG  68           HB3      ARG  68  -0.036  10.432  -7.264
  495   1HG   ARG  68           HG2      ARG  68   0.299  11.811  -4.570
  496   2HG   ARG  68           HG3      ARG  68  -0.540  12.594  -5.907
  497   1HD   ARG  68           HD2      ARG  68  -1.243   9.879  -4.787
  498   2HD   ARG  68           HD3      ARG  68  -2.026  11.404  -4.309
  499    HE   ARG  68           HE       ARG  68  -2.367  11.534  -6.966
  500   1HH1  ARG  68          HH11      ARG  68  -5.058   9.321  -7.537
  501   2HH1  ARG  68          HH12      ARG  68  -4.184  10.689  -8.150
  502   1HH2  ARG  68          HH21      ARG  68  -4.473   8.420  -5.392
  503   2HH2  ARG  68          HH22      ARG  68  -3.064   9.000  -4.627
  504    H    GLU  69           H        GLU  69   3.634  10.446  -7.072
  505    HA   GLU  69           HA       GLU  69   3.517   8.708  -9.425
  506   1HB   GLU  69           HB2      GLU  69   5.090  11.002  -8.397
  507   2HB   GLU  69           HB3      GLU  69   5.965   9.944  -9.480
  508   1HG   GLU  69           HG2      GLU  69   3.177  10.883 -10.253
  509   2HG   GLU  69           HG3      GLU  69   4.561  11.967 -10.433
  510    H    LEU  70           H        LEU  70   5.371   8.988  -6.409
  511    HA   LEU  70           HA       LEU  70   7.234   6.955  -6.891
  512   1HB   LEU  70           HB2      LEU  70   7.223   8.659  -5.080
  513   2HB   LEU  70           HB3      LEU  70   5.909   7.771  -4.320
  514    HG   LEU  70           HG       LEU  70   7.392   6.710  -3.220
  515   1HD1  LEU  70          HD11      LEU  70   8.410   5.365  -5.645
  516   2HD1  LEU  70          HD12      LEU  70   8.899   5.033  -3.968
  517   3HD1  LEU  70          HD13      LEU  70   7.202   4.851  -4.407
  518   1HD2  LEU  70          HD21      LEU  70   8.840   8.553  -3.372
  519   2HD2  LEU  70          HD22      LEU  70   9.756   7.046  -3.242
  520   3HD2  LEU  70          HD23      LEU  70   9.621   7.864  -4.829
  521    H    SER  71           H        SER  71   3.969   6.750  -5.276
  522    HA   SER  71           HA       SER  71   3.928   4.004  -4.885
  523   1HB   SER  71           HB2      SER  71   1.476   5.487  -5.947
  524   2HB   SER  71           HB3      SER  71   1.548   4.136  -4.804
  525    HG   SER  71           HG       SER  71   2.785   5.779  -3.460
  526    H    LYS  72           H        LYS  72   3.214   5.804  -7.967
  527    HA   LYS  72           HA       LYS  72   2.460   3.544  -9.482
  528   1HB   LYS  72           HB2      LYS  72   3.899   6.047 -10.434
  529   2HB   LYS  72           HB3      LYS  72   3.239   4.819 -11.460
  530   1HG   LYS  72           HG2      LYS  72   1.251   5.631  -9.442
  531   2HG   LYS  72           HG3      LYS  72   1.916   7.049 -10.224
  532   1HD   LYS  72           HD2      LYS  72   1.238   4.890 -12.163
  533   2HD   LYS  72           HD3      LYS  72  -0.138   5.393 -11.183
  534   1HE   LYS  72           HE2      LYS  72   0.184   7.737 -11.793
  535   2HE   LYS  72           HE3      LYS  72   1.689   7.366 -12.651
  536   1HZ   LYS  72           HZ1      LYS  72  -0.239   7.631 -14.096
  537   2HZ   LYS  72           HZ2      LYS  72   0.465   6.156 -14.258
  538   3HZ   LYS  72           HZ3      LYS  72  -0.950   6.305 -13.429
  539    H    THR  73           H        THR  73   5.728   4.747  -8.678
  540    HA   THR  73           HA       THR  73   7.180   2.830 -10.257
  541    HB   THR  73           HB       THR  73   7.840   4.758  -8.052
  542    HG1  THR  73           HG1      THR  73   9.204   5.472  -9.639
  543   1HG2  THR  73          HG21      THR  73   9.761   2.566  -8.887
  544   2HG2  THR  73          HG22      THR  73  10.181   4.047  -7.999
  545   3HG2  THR  73          HG23      THR  73   9.117   2.854  -7.253
  546    H    PHE  74           H        PHE  74   5.462   2.518  -7.289
  547    HA   PHE  74           HA       PHE  74   6.616  -0.189  -6.723
  548   1HB   PHE  74           HB2      PHE  74   5.026   1.808  -5.096
  549   2HB   PHE  74           HB3      PHE  74   4.990   0.107  -4.687
  550    HD1  PHE  74           HD1      PHE  74   6.722  -0.954  -3.504
  551    HD2  PHE  74           HD2      PHE  74   7.461   2.829  -5.382
  552    HE1  PHE  74           HE1      PHE  74   8.820  -0.743  -2.219
  553    HE2  PHE  74           HE2      PHE  74   9.596   3.020  -4.143
  554    HZ   PHE  74           HZ       PHE  74  10.219   1.310  -2.445
  555    H    ILE  75           H        ILE  75   4.215   1.085  -8.694
  556    HA   ILE  75           HA       ILE  75   1.970  -0.457  -7.857
  557    HB   ILE  75           HB       ILE  75   2.220   1.468  -9.596
  558   1HG1  ILE  75          HG12      ILE  75   0.173  -0.735  -9.538
  559   2HG1  ILE  75          HG13      ILE  75   0.201   0.826  -8.697
  560   1HG2  ILE  75          HG21      ILE  75   2.063  -0.896 -11.485
  561   2HG2  ILE  75          HG22      ILE  75   2.104   0.834 -11.904
  562   3HG2  ILE  75          HG23      ILE  75   3.542   0.069 -11.240
  563   1HD1  ILE  75          HD11      ILE  75  -0.155   0.411 -11.658
  564   2HD1  ILE  75          HD12      ILE  75  -1.332   1.023 -10.487
  565   3HD1  ILE  75          HD13      ILE  75   0.117   1.995 -10.867
  566    H    ILE  76           H        ILE  76   1.483  -2.613  -8.069
  567    HA   ILE  76           HA       ILE  76   3.365  -4.302  -9.714
  568    HB   ILE  76           HB       ILE  76   2.348  -6.172  -8.332
  569   1HG1  ILE  76          HG12      ILE  76   1.666  -3.913  -6.398
  570   2HG1  ILE  76          HG13      ILE  76   0.469  -4.683  -7.438
  571   1HG2  ILE  76          HG21      ILE  76   4.052  -4.145  -6.833
  572   2HG2  ILE  76          HG22      ILE  76   4.053  -5.926  -6.685
  573   3HG2  ILE  76          HG23      ILE  76   4.664  -5.168  -8.144
  574   1HD1  ILE  76          HD11      ILE  76   1.205  -5.500  -4.895
  575   2HD1  ILE  76          HD12      ILE  76   0.292  -6.457  -6.080
  576   3HD1  ILE  76          HD13      ILE  76   2.042  -6.663  -5.943
  577    H    GLY  77           H        GLY  77   0.154  -3.046  -9.695
  578   1HA   GLY  77           HA1      GLY  77  -0.554  -4.034 -12.167
  579   2HA   GLY  77           HA2      GLY  77  -1.096  -5.270 -10.998
  580    H    GLU  78           H        GLU  78  -3.315  -4.855 -11.008
  581    HA   GLU  78           HA       GLU  78  -4.119  -2.249  -9.898
  582   1HB   GLU  78           HB2      GLU  78  -4.175  -2.344 -12.499
  583   2HB   GLU  78           HB3      GLU  78  -5.647  -3.286 -12.297
  584   1HG   GLU  78           HG2      GLU  78  -6.705  -1.425 -11.177
  585   2HG   GLU  78           HG3      GLU  78  -5.162  -0.580 -10.966
  586    H    LEU  79           H        LEU  79  -6.475  -2.262  -9.384
  587    HA   LEU  79           HA       LEU  79  -6.980  -4.625  -7.705
  588   1HB   LEU  79           HB2      LEU  79  -7.441  -2.399  -6.833
  589   2HB   LEU  79           HB3      LEU  79  -8.468  -2.062  -8.244
  590    HG   LEU  79           HG       LEU  79  -9.956  -3.997  -7.453
  591   1HD1  LEU  79          HD11      LEU  79  -9.614  -5.031  -5.445
  592   2HD1  LEU  79          HD12      LEU  79  -7.941  -4.509  -5.632
  593   3HD1  LEU  79          HD13      LEU  79  -9.060  -3.544  -4.667
  594   1HD2  LEU  79          HD21      LEU  79 -10.368  -1.498  -7.316
  595   2HD2  LEU  79          HD22      LEU  79 -11.314  -2.534  -6.278
  596   3HD2  LEU  79          HD23      LEU  79  -9.941  -1.646  -5.593
  597    H    HIS  80           H        HIS  80  -8.414  -6.237  -8.131
  598    HA   HIS  80           HA       HIS  80  -9.352  -6.906 -10.666
  599   1HB   HIS  80           HB2      HIS  80  -9.209  -8.222  -8.452
  600   2HB   HIS  80           HB3      HIS  80 -10.868  -7.705  -8.178
  601    HD1  HIS  80           HD1      HIS  80 -12.592  -9.285  -9.464
  602    HD2  HIS  80           HD2      HIS  80  -8.587  -9.692 -10.650
  603    HE1  HIS  80           HE1      HIS  80 -12.536 -11.185 -11.143
  604    HA   PRO  81           HA       PRO  81 -12.732  -4.193 -11.336
  605   1HB   PRO  81           HB2      PRO  81 -14.185  -5.602 -13.225
  606   2HB   PRO  81           HB3      PRO  81 -12.742  -4.598 -13.530
  607   1HG   PRO  81           HG2      PRO  81 -12.900  -7.590 -13.274
  608   2HG   PRO  81           HG3      PRO  81 -11.862  -6.611 -14.354
  609   1HD   PRO  81           HD2      PRO  81 -11.036  -7.787 -12.031
  610   2HD   PRO  81           HD3      PRO  81 -10.265  -6.328 -12.711
  611    H    ASP  82           H        ASP  82 -13.071  -7.460 -10.130
  612    HA   ASP  82           HA       ASP  82 -15.929  -7.376  -9.667
  613   1HB   ASP  82           HB2      ASP  82 -14.483  -9.457  -9.895
  614   2HB   ASP  82           HB3      ASP  82 -13.951  -9.142  -8.200
  615    H    ASP  83           H        ASP  83 -13.135  -6.103  -7.986
  616    HA   ASP  83           HA       ASP  83 -14.424  -5.935  -5.357
  617   1HB   ASP  83           HB2      ASP  83 -11.987  -6.361  -5.651
  618   2HB   ASP  83           HB3      ASP  83 -11.859  -4.760  -6.422
  619    H    ARG  84           H        ARG  84 -14.600  -4.133  -8.221
  620    HA   ARG  84           HA       ARG  84 -14.438  -1.436  -7.251
  621   1HB   ARG  84           HB2      ARG  84 -15.912  -2.531  -9.656
  622   2HB   ARG  84           HB3      ARG  84 -15.444  -0.848  -9.432
  623   1HG   ARG  84           HG2      ARG  84 -13.364  -3.066  -9.486
  624   2HG   ARG  84           HG3      ARG  84 -14.070  -2.436 -10.983
  625   1HD   ARG  84           HD2      ARG  84 -13.192  -0.321 -10.686
  626   2HD   ARG  84           HD3      ARG  84 -12.829  -0.566  -8.962
  627    HE   ARG  84           HE       ARG  84 -11.270  -2.469  -9.897
  628   1HH1  ARG  84          HH11      ARG  84  -8.602  -1.023 -11.690
  629   2HH1  ARG  84          HH12      ARG  84  -9.155  -2.426 -10.825
  630   1HH2  ARG  84          HH21      ARG  84 -10.012   0.860 -11.870
  631   2HH2  ARG  84          HH22      ARG  84 -11.607   0.806 -11.172
  632    HHA  HEM 201           HGM      HEM 201   4.612  10.867   5.098
  633    HHB  HEM 201           HDM      HEM 201   5.815   7.771  -0.443
  634    HHC  HEM 201           HAM      HEM 201   0.959   3.785   0.770
  635    HHD  HEM 201           HBM      HEM 201   0.063   6.534   6.550
  636   1HMA  HEM 201          HM81      HEM 201   7.697   9.158   0.228
  637   2HMA  HEM 201          HM82      HEM 201   6.555  10.328  -0.463
  638   3HMA  HEM 201          HM83      HEM 201   7.727  10.835   0.762
  639   1HAA  HEM 201          HAA1      HEM 201   6.994  12.106   2.343
  640   2HAA  HEM 201          HAA2      HEM 201   5.425  12.382   3.050
  641   1HBA  HEM 201          HBA1      HEM 201   8.035  11.984   4.322
  642   2HBA  HEM 201          HBA2      HEM 201   6.894  10.791   4.928
  643   1HMB  HEM 201          HM11      HEM 201   4.957   6.546  -2.582
  644   2HMB  HEM 201          HM12      HEM 201   6.038   5.421  -1.737
  645   3HMB  HEM 201          HM13      HEM 201   4.674   4.787  -2.667
  646    HAB  HEM 201          HT2A      HEM 201   2.114   3.881  -2.325
  647   1HBB  HEM 201          HV2C      HEM 201   2.722   2.281   0.124
  648   2HBB  HEM 201          HV2T      HEM 201   1.656   1.851  -1.349
  649   1HMC  HEM 201          HM31      HEM 201  -0.607   2.597   1.919
  650   2HMC  HEM 201          HM32      HEM 201  -1.493   2.560   3.449
  651   3HMC  HEM 201          HM33      HEM 201  -1.966   3.724   2.216
  652    HAC  HEM 201          HT4A      HEM 201  -2.143   5.432   5.718
  653   1HBC  HEM 201          HV4C      HEM 201  -0.853   2.662   5.758
  654   2HBC  HEM 201          HV4T      HEM 201  -1.972   3.401   7.049
  655   1HMD  HEM 201          HM51      HEM 201   1.325   9.202   8.967
  656   2HMD  HEM 201          HM52      HEM 201   0.252   7.982   8.288
  657   3HMD  HEM 201          HM53      HEM 201   1.865   7.524   8.865
  658   1HAD  HEM 201          HAD1      HEM 201   3.743   9.916   8.512
  659   2HAD  HEM 201          HAD2      HEM 201   4.300  10.987   7.257
  660   1HBD  HEM 201          HBD1      HEM 201   2.692  12.513   7.660
  661   2HBD  HEM 201          HBD2      HEM 201   1.456  11.306   8.007
  Start of MODEL   30
    1   1H    ALA   3           H1       ALA   3  -3.279  -6.851 -19.870
    2   2H    ALA   3           H2       ALA   3  -3.296  -5.568 -20.874
    3   3H    ALA   3           H3       ALA   3  -2.759  -7.037 -21.455
    4    HA   ALA   3           HA       ALA   3  -1.112  -5.169 -20.574
    5   1HB   ALA   3           HB1      ALA   3   0.552  -6.864 -20.199
    6   2HB   ALA   3           HB2      ALA   3  -0.668  -8.086 -19.789
    7   3HB   ALA   3           HB3      ALA   3  -0.509  -7.506 -21.463
    8    H    VAL   4           H        VAL   4   0.291  -5.406 -18.327
    9    HA   VAL   4           HA       VAL   4   0.410  -5.490 -16.047
   10    HB   VAL   4           HB       VAL   4  -1.091  -4.239 -14.785
   11   1HG1  VAL   4          HG11      VAL   4   0.357  -3.028 -16.394
   12   2HG1  VAL   4          HG12      VAL   4  -0.986  -2.980 -17.555
   13   3HG1  VAL   4          HG13      VAL   4  -1.130  -2.143 -16.002
   14   1HG2  VAL   4          HG21      VAL   4  -3.141  -4.032 -17.010
   15   2HG2  VAL   4          HG22      VAL   4  -3.294  -5.182 -15.657
   16   3HG2  VAL   4          HG23      VAL   4  -3.232  -3.441 -15.356
   17    H    LYS   5           H        LYS   5  -1.094  -6.142 -14.011
   18    HA   LYS   5           HA       LYS   5  -2.660  -8.528 -14.649
   19   1HB   LYS   5           HB2      LYS   5  -0.255  -9.328 -14.154
   20   2HB   LYS   5           HB3      LYS   5  -0.504  -8.696 -12.519
   21   1HG   LYS   5           HG2      LYS   5  -2.636 -10.200 -12.499
   22   2HG   LYS   5           HG3      LYS   5  -1.972 -10.963 -13.952
   23   1HD   LYS   5           HD2      LYS   5  -0.095 -11.842 -12.693
   24   2HD   LYS   5           HD3      LYS   5  -0.332 -10.654 -11.420
   25   1HE   LYS   5           HE2      LYS   5  -1.128 -12.616 -10.415
   26   2HE   LYS   5           HE3      LYS   5  -2.584 -11.741 -10.877
   27   1HZ   LYS   5           HZ1      LYS   5  -1.383 -14.076 -12.197
   28   2HZ   LYS   5           HZ2      LYS   5  -2.857 -13.960 -11.481
   29   3HZ   LYS   5           HZ3      LYS   5  -2.578 -13.187 -12.905
   30    H    TYR   6           H        TYR   6  -4.259  -8.886 -13.027
   31    HA   TYR   6           HA       TYR   6  -4.557  -6.661 -11.120
   32   1HB   TYR   6           HB2      TYR   6  -6.659  -8.501 -12.245
   33   2HB   TYR   6           HB3      TYR   6  -6.865  -7.074 -11.228
   34    HD1  TYR   6           HD1      TYR   6  -5.901  -8.250 -14.635
   35    HD2  TYR   6           HD2      TYR   6  -7.002  -4.882 -12.198
   36    HE1  TYR   6           HE1      TYR   6  -6.032  -6.827 -16.661
   37    HE2  TYR   6           HE2      TYR   6  -7.108  -3.447 -14.219
   38    HH   TYR   6           HH       TYR   6  -6.870  -3.360 -16.498
   39    H    TYR   7           H        TYR   7  -5.363  -7.238  -8.995
   40    HA   TYR   7           HA       TYR   7  -5.092 -10.123  -8.249
   41   1HB   TYR   7           HB2      TYR   7  -4.208  -7.779  -6.553
   42   2HB   TYR   7           HB3      TYR   7  -3.987  -9.492  -6.225
   43    HD1  TYR   7           HD1      TYR   7  -2.411 -10.823  -7.809
   44    HD2  TYR   7           HD2      TYR   7  -2.649  -6.522  -7.800
   45    HE1  TYR   7           HE1      TYR   7  -0.270 -10.685  -9.065
   46    HE2  TYR   7           HE2      TYR   7  -0.539  -6.392  -9.033
   47    HH   TYR   7           HH       TYR   7   1.050  -7.543 -10.223
   48    H    THR   8           H        THR   8  -6.619 -10.856  -6.788
   49    HA   THR   8           HA       THR   8  -9.075  -9.305  -6.574
   50    HB   THR   8           HB       THR   8  -9.978 -11.252  -5.532
   51    HG1  THR   8           HG1      THR   8  -7.777 -12.892  -5.479
   52   1HG2  THR   8          HG21      THR   8  -9.773 -12.856  -7.264
   53   2HG2  THR   8          HG22      THR   8  -9.470 -11.293  -8.033
   54   3HG2  THR   8          HG23      THR   8  -8.112 -12.372  -7.661
   55    H    LEU   9           H        LEU   9 -10.057  -8.686  -4.543
   56    HA   LEU   9           HA       LEU   9  -8.442  -7.441  -2.660
   57   1HB   LEU   9           HB2      LEU   9 -11.157  -7.730  -3.065
   58   2HB   LEU   9           HB3      LEU   9 -10.955  -8.611  -1.564
   59    HG   LEU   9           HG       LEU   9 -10.067  -5.735  -2.095
   60   1HD1  LEU   9          HD11      LEU   9 -12.258  -6.742  -0.236
   61   2HD1  LEU   9          HD12      LEU   9 -11.863  -5.059  -0.656
   62   3HD1  LEU   9          HD13      LEU   9 -12.559  -6.140  -1.871
   63   1HD2  LEU   9          HD21      LEU   9  -9.764  -5.698   0.445
   64   2HD2  LEU   9          HD22      LEU   9  -9.882  -7.466   0.404
   65   3HD2  LEU   9          HD23      LEU   9  -8.545  -6.636  -0.426
   66    H    GLU  10           H        GLU  10  -9.723 -10.750  -2.686
   67    HA   GLU  10           HA       GLU  10  -8.762 -11.654  -0.213
   68   1HB   GLU  10           HB2      GLU  10 -10.310 -12.864  -1.835
   69   2HB   GLU  10           HB3      GLU  10  -8.870 -13.371  -2.708
   70   1HG   GLU  10           HG2      GLU  10  -9.450 -15.142  -1.185
   71   2HG   GLU  10           HG3      GLU  10  -7.983 -14.383  -0.569
   72    H    GLU  11           H        GLU  11  -7.182 -12.142  -3.421
   73    HA   GLU  11           HA       GLU  11  -4.780 -13.214  -2.487
   74   1HB   GLU  11           HB2      GLU  11  -5.660 -11.802  -4.959
   75   2HB   GLU  11           HB3      GLU  11  -3.963 -11.573  -4.589
   76   1HG   GLU  11           HG2      GLU  11  -4.152 -13.525  -5.994
   77   2HG   GLU  11           HG3      GLU  11  -3.668 -14.049  -4.376
   78    H    ILE  12           H        ILE  12  -5.589  -9.751  -2.937
   79    HA   ILE  12           HA       ILE  12  -3.070  -8.812  -2.006
   80    HB   ILE  12           HB       ILE  12  -5.816  -7.480  -2.005
   81   1HG1  ILE  12          HG12      ILE  12  -3.617  -6.997  -4.037
   82   2HG1  ILE  12          HG13      ILE  12  -4.726  -8.340  -4.254
   83   1HG2  ILE  12          HG21      ILE  12  -3.054  -6.444  -1.402
   84   2HG2  ILE  12          HG22      ILE  12  -4.185  -5.377  -2.234
   85   3HG2  ILE  12          HG23      ILE  12  -4.610  -6.035  -0.645
   86   1HD1  ILE  12          HD11      ILE  12  -6.671  -6.810  -4.113
   87   2HD1  ILE  12          HD12      ILE  12  -5.547  -5.442  -4.018
   88   3HD1  ILE  12          HD13      ILE  12  -5.613  -6.439  -5.466
   89    H    GLN  13           H        GLN  13  -6.112  -9.503  -0.239
   90    HA   GLN  13           HA       GLN  13  -5.305  -8.693   2.360
   91   1HB   GLN  13           HB2      GLN  13  -7.417 -10.447   1.162
   92   2HB   GLN  13           HB3      GLN  13  -7.033 -10.736   2.830
   93   1HG   GLN  13           HG2      GLN  13  -7.395  -7.845   2.164
   94   2HG   GLN  13           HG3      GLN  13  -8.799  -8.870   1.887
   95   1HE2  GLN  13          HE21      GLN  13 -10.135  -8.343   3.582
   96   2HE2  GLN  13          HE22      GLN  13  -9.688  -8.581   5.262
   97    H    LYS  14           H        LYS  14  -4.691 -11.766   0.574
   98    HA   LYS  14           HA       LYS  14  -3.583 -13.074   2.869
   99   1HB   LYS  14           HB2      LYS  14  -3.138 -13.461  -0.114
  100   2HB   LYS  14           HB3      LYS  14  -2.208 -14.338   1.103
  101   1HG   LYS  14           HG2      LYS  14  -4.391 -15.055   2.151
  102   2HG   LYS  14           HG3      LYS  14  -5.232 -14.366   0.758
  103   1HD   LYS  14           HD2      LYS  14  -4.507 -15.997  -0.698
  104   2HD   LYS  14           HD3      LYS  14  -2.979 -16.279   0.129
  105   1HE   LYS  14           HE2      LYS  14  -5.592 -17.037   1.488
  106   2HE   LYS  14           HE3      LYS  14  -4.916 -18.095   0.246
  107   1HZ   LYS  14           HZ1      LYS  14  -3.366 -17.228   2.589
  108   2HZ   LYS  14           HZ2      LYS  14  -4.231 -18.627   2.534
  109   3HZ   LYS  14           HZ3      LYS  14  -2.979 -18.397   1.495
  110    H    HIS  15           H        HIS  15  -2.374 -10.307   1.171
  111    HA   HIS  15           HA       HIS  15   0.398 -10.763   2.174
  112   1HB   HIS  15           HB2      HIS  15  -0.717  -8.955   0.000
  113   2HB   HIS  15           HB3      HIS  15   0.934  -8.934   0.574
  114    HD1  HIS  15           HD1      HIS  15   2.161  -9.835  -1.546
  115    HD2  HIS  15           HD2      HIS  15  -1.226 -12.071  -0.474
  116    HE1  HIS  15           HE1      HIS  15   2.151 -11.913  -3.021
  117    H    ASN  16           H        ASN  16  -0.555 -10.294   4.360
  118    HA   ASN  16           HA       ASN  16   0.024  -7.505   5.017
  119   1HB   ASN  16           HB2      ASN  16  -2.101  -7.094   6.208
  120   2HB   ASN  16           HB3      ASN  16  -2.274  -7.299   4.469
  121   1HD2  ASN  16          HD21      ASN  16  -4.648  -7.572   5.302
  122   2HD2  ASN  16          HD22      ASN  16  -5.097  -9.247   5.486
  123    H    ASN  17           H        ASN  17   1.653  -9.425   5.781
  124    HA   ASN  17           HA       ASN  17   1.352  -9.376   8.712
  125   1HB   ASN  17           HB2      ASN  17   0.858 -11.874   7.130
  126   2HB   ASN  17           HB3      ASN  17   1.887 -12.068   8.542
  127   1HD2  ASN  17          HD21      ASN  17   1.106 -11.062  10.656
  128   2HD2  ASN  17          HD22      ASN  17  -0.607 -11.319  10.963
  129    H    SER  18           H        SER  18   3.086  -7.955   7.329
  130    HA   SER  18           HA       SER  18   5.266  -7.382   7.353
  131   1HB   SER  18           HB2      SER  18   5.319  -8.916   9.520
  132   2HB   SER  18           HB3      SER  18   6.261 -10.003   8.491
  133    HG   SER  18           HG       SER  18   7.676  -8.202   8.118
  134    H    LYS  19           H        LYS  19   4.971 -10.862   6.648
  135    HA   LYS  19           HA       LYS  19   6.890 -11.415   4.892
  136   1HB   LYS  19           HB2      LYS  19   4.659 -12.745   5.734
  137   2HB   LYS  19           HB3      LYS  19   4.132 -12.338   4.099
  138   1HG   LYS  19           HG2      LYS  19   6.457 -13.236   3.358
  139   2HG   LYS  19           HG3      LYS  19   6.560 -13.950   4.977
  140   1HD   LYS  19           HD2      LYS  19   4.682 -15.386   4.580
  141   2HD   LYS  19           HD3      LYS  19   4.145 -14.417   3.188
  142   1HE   LYS  19           HE2      LYS  19   6.257 -15.023   1.972
  143   2HE   LYS  19           HE3      LYS  19   6.685 -16.126   3.288
  144   1HZ   LYS  19           HZ1      LYS  19   5.255 -17.623   2.486
  145   2HZ   LYS  19           HZ2      LYS  19   4.057 -16.528   2.198
  146   3HZ   LYS  19           HZ3      LYS  19   5.263 -16.734   1.104
  147    H    SER  20           H        SER  20   3.782  -9.909   3.966
  148    HA   SER  20           HA       SER  20   5.041  -8.455   1.788
  149   1HB   SER  20           HB2      SER  20   3.132  -9.154   0.285
  150   2HB   SER  20           HB3      SER  20   4.513 -10.239   0.476
  151    HG   SER  20           HG       SER  20   2.506 -11.370   0.682
  152    H    THR  21           H        THR  21   4.326  -6.402   2.090
  153    HA   THR  21           HA       THR  21   1.681  -5.871   3.370
  154    HB   THR  21           HB       THR  21   4.278  -4.329   3.308
  155    HG1  THR  21           HG1      THR  21   3.814  -5.843   4.963
  156   1HG2  THR  21          HG21      THR  21   1.561  -3.159   3.366
  157   2HG2  THR  21          HG22      THR  21   2.618  -2.682   4.708
  158   3HG2  THR  21          HG23      THR  21   3.134  -2.433   3.034
  159    H    TRP  22           H        TRP  22   0.499  -6.229   1.535
  160    HA   TRP  22           HA       TRP  22   0.882  -4.308  -0.735
  161   1HB   TRP  22           HB2      TRP  22  -0.751  -6.848  -0.435
  162   2HB   TRP  22           HB3      TRP  22  -0.858  -5.743  -1.793
  163    HD1  TRP  22           HD1      TRP  22   2.710  -6.247  -0.820
  164    HE1  TRP  22           HE1      TRP  22   3.887  -7.559  -2.614
  165    HE3  TRP  22           HE3      TRP  22  -1.404  -7.913  -3.334
  166    HZ2  TRP  22           HZ2      TRP  22   3.138  -9.149  -4.950
  167    HZ3  TRP  22           HZ3      TRP  22  -1.167  -9.389  -5.280
  168    HH2  TRP  22           HH2      TRP  22   1.111  -9.938  -6.176
  169    H    LEU  23           H        LEU  23  -1.531  -3.659  -1.461
  170    HA   LEU  23           HA       LEU  23  -3.632  -3.433   0.355
  171   1HB   LEU  23           HB2      LEU  23  -3.294  -0.938   0.928
  172   2HB   LEU  23           HB3      LEU  23  -2.501  -2.150   1.887
  173    HG   LEU  23           HG       LEU  23  -0.384  -1.749   0.384
  174   1HD1  LEU  23          HD11      LEU  23  -2.077   0.648  -0.292
  175   2HD1  LEU  23          HD12      LEU  23  -0.321   0.629  -0.465
  176   3HD1  LEU  23          HD13      LEU  23  -1.311  -0.478  -1.433
  177   1HD2  LEU  23          HD21      LEU  23  -0.536  -1.125   2.711
  178   2HD2  LEU  23          HD22      LEU  23   0.268   0.139   1.760
  179   3HD2  LEU  23          HD23      LEU  23  -1.443   0.339   2.274
  180    H    ILE  24           H        ILE  24  -5.087  -1.527  -0.396
  181    HA   ILE  24           HA       ILE  24  -4.758  -1.181  -3.363
  182    HB   ILE  24           HB       ILE  24  -7.275  -1.629  -1.748
  183   1HG1  ILE  24          HG12      ILE  24  -6.412  -3.256  -4.145
  184   2HG1  ILE  24          HG13      ILE  24  -5.609  -3.578  -2.614
  185   1HG2  ILE  24          HG21      ILE  24  -6.892  -1.033  -4.728
  186   2HG2  ILE  24          HG22      ILE  24  -8.421  -1.536  -3.986
  187   3HG2  ILE  24          HG23      ILE  24  -7.712   0.021  -3.559
  188   1HD1  ILE  24          HD11      ILE  24  -7.574  -4.185  -1.475
  189   2HD1  ILE  24          HD12      ILE  24  -8.639  -3.495  -2.710
  190   3HD1  ILE  24          HD13      ILE  24  -7.721  -4.971  -3.057
  191    H    LEU  25           H        LEU  25  -4.305   0.842  -3.815
  192    HA   LEU  25           HA       LEU  25  -5.633   3.116  -2.365
  193   1HB   LEU  25           HB2      LEU  25  -2.829   2.733  -3.426
  194   2HB   LEU  25           HB3      LEU  25  -3.567   4.329  -3.402
  195    HG   LEU  25           HG       LEU  25  -3.313   4.704  -1.294
  196   1HD1  LEU  25          HD11      LEU  25  -4.784   3.194  -0.449
  197   2HD1  LEU  25          HD12      LEU  25  -3.736   1.806  -0.724
  198   3HD1  LEU  25          HD13      LEU  25  -3.310   3.030   0.510
  199   1HD2  LEU  25          HD21      LEU  25  -1.108   4.370  -1.966
  200   2HD2  LEU  25          HD22      LEU  25  -1.204   3.631  -0.368
  201   3HD2  LEU  25          HD23      LEU  25  -1.163   2.602  -1.803
  202    H    HIS  26           H        HIS  26  -7.381   3.311  -3.657
  203    HA   HIS  26           HA       HIS  26  -8.585   3.975  -5.455
  204   1HB   HIS  26           HB2      HIS  26  -6.040   4.943  -6.787
  205   2HB   HIS  26           HB3      HIS  26  -7.697   5.477  -7.065
  206    HD1  HIS  26           HD1      HIS  26  -8.711   7.192  -5.196
  207    HD2  HIS  26           HD2      HIS  26  -4.757   5.868  -4.664
  208    HE1  HIS  26           HE1      HIS  26  -7.697   8.669  -3.415
  209    H    TYR  27           H        TYR  27  -8.268   1.391  -5.473
  210    HA   TYR  27           HA       TYR  27  -8.441  -0.492  -6.710
  211   1HB   TYR  27           HB2      TYR  27  -8.722   1.338  -9.116
  212   2HB   TYR  27           HB3      TYR  27  -9.344  -0.288  -8.947
  213    HD1  TYR  27           HD1      TYR  27 -10.722   2.544  -9.562
  214    HD2  TYR  27           HD2      TYR  27 -10.573  -0.078  -6.132
  215    HE1  TYR  27           HE1      TYR  27 -13.055   3.147  -8.969
  216    HE2  TYR  27           HE2      TYR  27 -12.928   0.405  -5.661
  217    HH   TYR  27           HH       TYR  27 -14.772   1.677  -6.214
  218    H    LYS  28           H        LYS  28  -5.769   0.701  -6.304
  219    HA   LYS  28           HA       LYS  28  -4.271  -0.753  -8.407
  220   1HB   LYS  28           HB2      LYS  28  -4.148   2.113  -7.583
  221   2HB   LYS  28           HB3      LYS  28  -2.597   1.303  -7.848
  222   1HG   LYS  28           HG2      LYS  28  -2.923   0.962 -10.063
  223   2HG   LYS  28           HG3      LYS  28  -4.646   0.779  -9.908
  224   1HD   LYS  28           HD2      LYS  28  -4.115   3.500  -9.211
  225   2HD   LYS  28           HD3      LYS  28  -3.183   3.151 -10.672
  226   1HE   LYS  28           HE2      LYS  28  -5.100   2.567 -11.934
  227   2HE   LYS  28           HE3      LYS  28  -6.083   2.206 -10.510
  228   1HZ   LYS  28           HZ1      LYS  28  -6.532   4.284 -10.067
  229   2HZ   LYS  28           HZ2      LYS  28  -5.250   4.944 -10.872
  230   3HZ   LYS  28           HZ3      LYS  28  -6.528   4.329 -11.718
  231    H    VAL  29           H        VAL  29  -2.843  -2.091  -7.669
  232    HA   VAL  29           HA       VAL  29  -2.483  -2.246  -4.777
  233    HB   VAL  29           HB       VAL  29  -1.585  -4.269  -6.835
  234   1HG1  VAL  29          HG11      VAL  29  -2.499  -4.580  -3.936
  235   2HG1  VAL  29          HG12      VAL  29  -1.763  -5.818  -4.972
  236   3HG1  VAL  29          HG13      VAL  29  -0.798  -4.446  -4.403
  237   1HG2  VAL  29          HG21      VAL  29  -4.326  -3.868  -5.585
  238   2HG2  VAL  29          HG22      VAL  29  -3.905  -3.975  -7.311
  239   3HG2  VAL  29          HG23      VAL  29  -3.778  -5.403  -6.283
  240    H    TYR  30           H        TYR  30  -0.597  -1.990  -3.758
  241    HA   TYR  30           HA       TYR  30   1.873  -1.279  -5.291
  242   1HB   TYR  30           HB2      TYR  30   0.592   0.096  -2.893
  243   2HB   TYR  30           HB3      TYR  30   2.188   0.467  -3.507
  244    HD1  TYR  30           HD1      TYR  30   2.356   1.232  -5.987
  245    HD2  TYR  30           HD2      TYR  30  -1.404   0.953  -3.938
  246    HE1  TYR  30           HE1      TYR  30   1.299   2.707  -7.695
  247    HE2  TYR  30           HE2      TYR  30  -2.411   2.528  -5.590
  248    HH   TYR  30           HH       TYR  30  -0.450   4.142  -8.080
  249    H    ASP  31           H        ASP  31   3.402  -2.743  -4.732
  250    HA   ASP  31           HA       ASP  31   3.222  -4.161  -2.111
  251   1HB   ASP  31           HB2      ASP  31   3.907  -5.562  -3.998
  252   2HB   ASP  31           HB3      ASP  31   5.207  -4.423  -4.397
  253    H    LEU  32           H        LEU  32   4.051  -3.021  -0.389
  254    HA   LEU  32           HA       LEU  32   6.592  -1.535  -0.848
  255   1HB   LEU  32           HB2      LEU  32   4.607  -0.864   1.263
  256   2HB   LEU  32           HB3      LEU  32   5.941   0.096   0.771
  257    HG   LEU  32           HG       LEU  32   4.230  -0.294  -1.571
  258   1HD1  LEU  32          HD11      LEU  32   2.495  -0.600   0.253
  259   2HD1  LEU  32          HD12      LEU  32   2.820   1.084   0.728
  260   3HD1  LEU  32          HD13      LEU  32   2.198   0.695  -0.898
  261   1HD2  LEU  32          HD21      LEU  32   4.544   1.980  -1.854
  262   2HD2  LEU  32          HD22      LEU  32   4.797   2.274  -0.107
  263   3HD2  LEU  32          HD23      LEU  32   6.016   1.425  -1.074
  264    H    THR  33           H        THR  33   5.923  -4.429  -0.095
  265    HA   THR  33           HA       THR  33   6.277  -4.854   2.641
  266    HB   THR  33           HB       THR  33   5.780  -6.565   0.829
  267    HG1  THR  33           HG1      THR  33   6.556  -6.962   3.168
  268   1HG2  THR  33          HG21      THR  33   8.744  -6.953   0.573
  269   2HG2  THR  33          HG22      THR  33   7.409  -7.812  -0.212
  270   3HG2  THR  33          HG23      THR  33   7.729  -6.128  -0.647
  271    H    LYS  34           H        LYS  34   8.745  -4.282   0.194
  272    HA   LYS  34           HA       LYS  34  10.860  -4.431   2.281
  273   1HB   LYS  34           HB2      LYS  34  10.677  -5.508  -0.284
  274   2HB   LYS  34           HB3      LYS  34  11.702  -4.098  -0.548
  275   1HG   LYS  34           HG2      LYS  34  13.232  -4.884   1.226
  276   2HG   LYS  34           HG3      LYS  34  12.104  -6.166   1.668
  277   1HD   LYS  34           HD2      LYS  34  12.929  -7.585   0.209
  278   2HD   LYS  34           HD3      LYS  34  12.581  -6.514  -1.139
  279   1HE   LYS  34           HE2      LYS  34  15.100  -6.398   0.602
  280   2HE   LYS  34           HE3      LYS  34  14.983  -7.207  -0.967
  281   1HZ   LYS  34           HZ1      LYS  34  15.896  -5.048  -1.255
  282   2HZ   LYS  34           HZ2      LYS  34  14.401  -5.059  -1.938
  283   3HZ   LYS  34           HZ3      LYS  34  14.637  -4.315  -0.492
  284    H    PHE  35           H        PHE  35   8.880  -2.291   2.149
  285    HA   PHE  35           HA       PHE  35  10.764  -0.031   1.999
  286   1HB   PHE  35           HB2      PHE  35   8.943  -0.577   0.013
  287   2HB   PHE  35           HB3      PHE  35   8.005   0.426   1.028
  288    HD1  PHE  35           HD1      PHE  35  11.666   0.640   0.046
  289    HD2  PHE  35           HD2      PHE  35   7.787   2.562   0.092
  290    HE1  PHE  35           HE1      PHE  35  12.666   2.701  -0.849
  291    HE2  PHE  35           HE2      PHE  35   8.771   4.539  -1.018
  292    HZ   PHE  35           HZ       PHE  35  11.219   4.636  -1.456
  293    H    LEU  36           H        LEU  36   9.185  -1.764   4.128
  294    HA   LEU  36           HA       LEU  36   7.280   0.034   5.274
  295   1HB   LEU  36           HB2      LEU  36   8.881  -2.244   6.516
  296   2HB   LEU  36           HB3      LEU  36   7.479  -1.471   7.263
  297    HG   LEU  36           HG       LEU  36   7.329  -2.818   4.536
  298   1HD1  LEU  36          HD11      LEU  36   8.046  -4.464   6.252
  299   2HD1  LEU  36          HD12      LEU  36   6.625  -4.038   7.231
  300   3HD1  LEU  36          HD13      LEU  36   6.420  -4.781   5.628
  301   1HD2  LEU  36          HD21      LEU  36   4.948  -2.884   5.010
  302   2HD2  LEU  36          HD22      LEU  36   5.181  -2.077   6.568
  303   3HD2  LEU  36          HD23      LEU  36   5.504  -1.217   5.040
  304    H    GLU  37           H        GLU  37  10.578  -0.783   6.398
  305    HA   GLU  37           HA       GLU  37  10.870   1.395   8.213
  306   1HB   GLU  37           HB2      GLU  37  12.655  -0.613   6.857
  307   2HB   GLU  37           HB3      GLU  37  13.431   0.842   7.458
  308   1HG   GLU  37           HG2      GLU  37  11.577  -0.370   9.443
  309   2HG   GLU  37           HG3      GLU  37  12.911  -1.415   8.967
  310    H    GLU  38           H        GLU  38  11.521   1.115   4.721
  311    HA   GLU  38           HA       GLU  38  12.974   3.566   4.435
  312   1HB   GLU  38           HB2      GLU  38  11.283   1.964   2.511
  313   2HB   GLU  38           HB3      GLU  38  12.267   3.307   2.027
  314   1HG   GLU  38           HG2      GLU  38  13.994   1.585   3.560
  315   2HG   GLU  38           HG3      GLU  38  13.096   0.556   2.436
  316    H    HIS  39           HN       HIS  39   9.504   2.717   4.109
  317    HA   HIS  39           HA       HIS  39   8.643   5.157   3.068
  318   1HB   HIS  39           HB2      HIS  39   7.212   3.293   2.954
  319   2HB   HIS  39           HB3      HIS  39   7.233   3.069   4.708
  320    HD1  HIS  39           HND      HIS  39   5.893   4.785   6.196
  321    HD2  HIS  39           HD       HIS  39   5.503   5.253   2.044
  322    HE1  HIS  39           HE       HIS  39   3.883   6.267   5.847
  323    HA   PRO  40           HA       PRO  40   9.358   7.520   6.856
  324   1HB   PRO  40           HB2      PRO  40   8.830  10.036   5.940
  325   2HB   PRO  40           HB3      PRO  40  10.281   9.105   5.482
  326   1HG   PRO  40           HG2      PRO  40   7.727   9.431   3.919
  327   2HG   PRO  40           HG3      PRO  40   9.408   9.559   3.319
  328   1HD   PRO  40           HD2      PRO  40   7.833   7.304   3.088
  329   2HD   PRO  40           HD3      PRO  40   9.619   7.234   3.213
  330    H    GLY  41           H        GLY  41   7.461   6.187   7.576
  331   1HA   GLY  41           HA1      GLY  41   5.565   8.044   8.831
  332   2HA   GLY  41           HA2      GLY  41   4.800   6.940   7.706
  333    H    GLY  42           H        GLY  42   7.648   6.012   9.598
  334   1HA   GLY  42           HA1      GLY  42   8.000   4.454  11.214
  335   2HA   GLY  42           HA2      GLY  42   6.499   5.043  11.931
  336    H    GLU  43           H        GLU  43   8.024   2.457  10.139
  337    HA   GLU  43           HA       GLU  43   6.027   1.021   8.993
  338   1HB   GLU  43           HB2      GLU  43   7.327  -0.980   9.514
  339   2HB   GLU  43           HB3      GLU  43   8.284   0.343   8.855
  340   1HG   GLU  43           HG2      GLU  43   9.706   0.251  10.588
  341   2HG   GLU  43           HG3      GLU  43   8.411   0.589  11.725
  342    H    ALA  44           H        ALA  44   4.082   0.845   9.774
  343    HA   ALA  44           HA       ALA  44   3.222  -0.994  11.750
  344   1HB   ALA  44           HB1      ALA  44   3.574   1.877  12.702
  345   2HB   ALA  44           HB2      ALA  44   2.276   0.850  13.343
  346   3HB   ALA  44           HB3      ALA  44   3.962   0.365  13.550
  347    H    VAL  45           H        VAL  45   2.380   2.384  10.803
  348    HA   VAL  45           HA       VAL  45  -0.341   1.869  10.326
  349    HB   VAL  45           HB       VAL  45   0.672   4.114  10.520
  350   1HG1  VAL  45          HG11      VAL  45   1.705   5.237   8.693
  351   2HG1  VAL  45          HG12      VAL  45   2.628   3.767   8.993
  352   3HG1  VAL  45          HG13      VAL  45   1.506   3.865   7.607
  353   1HG2  VAL  45          HG21      VAL  45  -1.233   3.411   8.293
  354   2HG2  VAL  45          HG22      VAL  45  -1.529   4.230   9.830
  355   3HG2  VAL  45          HG23      VAL  45  -0.722   5.092   8.511
  356    H    LEU  46           H        LEU  46   2.403   1.811   7.876
  357    HA   LEU  46           HA       LEU  46   0.788   0.909   5.772
  358   1HB   LEU  46           HB2      LEU  46   3.675   0.074   6.282
  359   2HB   LEU  46           HB3      LEU  46   2.798   0.075   4.750
  360    HG   LEU  46           HG       LEU  46   2.355   2.661   5.650
  361   1HD1  LEU  46          HD11      LEU  46   4.244   1.948   7.452
  362   2HD1  LEU  46          HD12      LEU  46   5.304   2.413   6.131
  363   3HD1  LEU  46          HD13      LEU  46   4.110   3.566   6.788
  364   1HD2  LEU  46          HD21      LEU  46   4.708   1.975   3.889
  365   2HD2  LEU  46          HD22      LEU  46   3.017   1.833   3.358
  366   3HD2  LEU  46          HD23      LEU  46   3.627   3.394   3.867
  367    H    ARG  47           H        ARG  47   2.049  -0.938   8.505
  368    HA   ARG  47           HA       ARG  47   1.579  -3.520   7.269
  369   1HB   ARG  47           HB2      ARG  47   3.205  -2.520   9.311
  370   2HB   ARG  47           HB3      ARG  47   1.992  -3.398  10.221
  371   1HG   ARG  47           HG2      ARG  47   3.268  -4.792   7.839
  372   2HG   ARG  47           HG3      ARG  47   4.287  -4.445   9.228
  373   1HD   ARG  47           HD2      ARG  47   3.327  -6.682   9.407
  374   2HD   ARG  47           HD3      ARG  47   2.852  -5.616  10.744
  375    HE   ARG  47           HE       ARG  47   0.858  -5.463   8.694
  376   1HH1  ARG  47          HH11      ARG  47  -1.354  -7.785   9.923
  377   2HH1  ARG  47          HH12      ARG  47  -1.127  -6.348   8.972
  378   1HH2  ARG  47          HH21      ARG  47   0.396  -8.292  11.548
  379   2HH2  ARG  47          HH22      ARG  47   1.955  -7.558  11.296
  380    H    ALA  48           H        ALA  48  -0.161  -1.319   9.384
  381    HA   ALA  48           HA       ALA  48  -2.235  -3.230  10.150
  382   1HB   ALA  48           HB1      ALA  48  -2.030  -0.198  10.378
  383   2HB   ALA  48           HB2      ALA  48  -3.307  -1.202  11.099
  384   3HB   ALA  48           HB3      ALA  48  -1.620  -1.386  11.628
  385    H    GLN  49           H        GLN  49  -2.015  -0.390   7.924
  386    HA   GLN  49           HA       GLN  49  -4.600  -0.826   6.736
  387   1HB   GLN  49           HB2      GLN  49  -2.172   0.916   6.263
  388   2HB   GLN  49           HB3      GLN  49  -3.337   0.733   4.979
  389   1HG   GLN  49           HG2      GLN  49  -3.804   2.696   6.370
  390   2HG   GLN  49           HG3      GLN  49  -5.147   1.543   6.320
  391   1HE2  GLN  49          HE21      GLN  49  -6.183   1.994   8.282
  392   2HE2  GLN  49          HE22      GLN  49  -5.362   1.873   9.829
  393    H    ALA  50           H        ALA  50  -1.458  -2.303   6.218
  394    HA   ALA  50           HA       ALA  50  -1.617  -3.134   3.650
  395   1HB   ALA  50           HB1      ALA  50   0.287  -3.774   5.036
  396   2HB   ALA  50           HB2      ALA  50  -0.742  -4.813   6.033
  397   3HB   ALA  50           HB3      ALA  50  -0.422  -5.227   4.340
  398    H    GLY  51           H        GLY  51  -2.468  -4.868   2.500
  399   1HA   GLY  51           HA1      GLY  51  -4.147  -6.191   1.727
  400   2HA   GLY  51           HA2      GLY  51  -3.962  -7.084   3.231
  401    H    GLY  52           H        GLY  52  -5.183  -3.826   2.342
  402   1HA   GLY  52           HA1      GLY  52  -7.935  -4.461   2.920
  403   2HA   GLY  52           HA2      GLY  52  -7.163  -3.424   4.152
  404    H    ASP  53           H        ASP  53  -9.192  -2.264   2.725
  405    HA   ASP  53           HA       ASP  53  -8.206  -0.700   0.489
  406   1HB   ASP  53           HB2      ASP  53 -10.251   0.618   0.960
  407   2HB   ASP  53           HB3      ASP  53 -10.596  -1.105   0.739
  408    H    ALA  54           H        ALA  54  -6.591   0.713   0.836
  409    HA   ALA  54           HA       ALA  54  -6.525   2.196   3.464
  410   1HB   ALA  54           HB1      ALA  54  -4.657   0.654   3.256
  411   2HB   ALA  54           HB2      ALA  54  -4.201   1.360   1.707
  412   3HB   ALA  54           HB3      ALA  54  -4.122   2.361   3.183
  413    H    THR  55           H        THR  55  -7.732   2.543   0.535
  414    HA   THR  55           HA       THR  55  -6.392   4.748  -0.615
  415    HB   THR  55           HB       THR  55  -9.386   4.155  -0.765
  416    HG1  THR  55           HG1      THR  55  -8.194   2.280  -1.342
  417   1HG2  THR  55          HG21      THR  55  -7.367   5.410  -2.651
  418   2HG2  THR  55          HG22      THR  55  -9.068   5.097  -3.061
  419   3HG2  THR  55          HG23      THR  55  -8.659   6.300  -1.816
  420    H    ALA  56           H        ALA  56  -9.263   4.728   1.547
  421    HA   ALA  56           HA       ALA  56  -9.411   7.535   1.917
  422   1HB   ALA  56           HB1      ALA  56 -10.272   5.264   3.764
  423   2HB   ALA  56           HB2      ALA  56 -10.759   6.966   3.915
  424   3HB   ALA  56           HB3      ALA  56 -11.253   6.029   2.492
  425    H    ASN  57           H        ASN  57  -7.593   5.030   3.691
  426    HA   ASN  57           HA       ASN  57  -6.769   6.720   5.835
  427   1HB   ASN  57           HB2      ASN  57  -6.540   3.983   5.176
  428   2HB   ASN  57           HB3      ASN  57  -4.878   4.551   5.222
  429   1HD2  ASN  57          HD21      ASN  57  -7.928   4.250   7.079
  430   2HD2  ASN  57          HD22      ASN  57  -7.160   4.406   8.650
  431    H    PHE  58           H        PHE  58  -5.152   5.712   2.850
  432    HA   PHE  58           HA       PHE  58  -2.699   7.093   3.029
  433   1HB   PHE  58           HB2      PHE  58  -3.126   5.319   1.453
  434   2HB   PHE  58           HB3      PHE  58  -4.438   6.211   0.700
  435    HD1  PHE  58           HD1      PHE  58  -0.763   6.008   1.040
  436    HD2  PHE  58           HD2      PHE  58  -4.062   7.841  -1.015
  437    HE1  PHE  58           HE1      PHE  58   0.804   6.924  -0.666
  438    HE2  PHE  58           HE2      PHE  58  -2.505   8.831  -2.650
  439    HZ   PHE  58           HZ       PHE  58  -0.059   8.349  -2.497
  440    H    GLU  59           H        GLU  59  -5.840   8.065   1.535
  441    HA   GLU  59           HA       GLU  59  -4.965  10.706   0.853
  442   1HB   GLU  59           HB2      GLU  59  -7.705   9.472   1.217
  443   2HB   GLU  59           HB3      GLU  59  -7.434  11.117   0.624
  444   1HG   GLU  59           HG2      GLU  59  -5.699   9.307  -0.848
  445   2HG   GLU  59           HG3      GLU  59  -7.339   8.672  -0.879
  446    H    ALA  60           H        ALA  60  -6.590   9.412   3.771
  447    HA   ALA  60           HA       ALA  60  -7.161  11.870   5.030
  448   1HB   ALA  60           HB1      ALA  60  -6.885  10.427   7.184
  449   2HB   ALA  60           HB2      ALA  60  -8.158  10.000   6.025
  450   3HB   ALA  60           HB3      ALA  60  -6.652   9.071   6.075
  451    H    VAL  61           H        VAL  61  -4.199   9.821   5.311
  452    HA   VAL  61           HA       VAL  61  -2.879  11.789   6.993
  453    HB   VAL  61           HB       VAL  61  -0.850  10.518   6.643
  454   1HG1  VAL  61          HG11      VAL  61  -2.289   9.663   8.352
  455   2HG1  VAL  61          HG12      VAL  61  -3.365   8.868   7.186
  456   3HG1  VAL  61          HG13      VAL  61  -1.735   8.253   7.426
  457   1HG2  VAL  61          HG21      VAL  61  -0.758   8.557   5.251
  458   2HG2  VAL  61          HG22      VAL  61  -2.404   8.817   4.673
  459   3HG2  VAL  61          HG23      VAL  61  -1.114   9.969   4.254
  460    H    GLY  62           H        GLY  62  -3.388  11.530   3.544
  461   1HA   GLY  62           HA1      GLY  62  -3.041  13.118   1.942
  462   2HA   GLY  62           HA2      GLY  62  -2.150  14.138   3.083
  463    H    HIS  63           HN       HIS  63  -1.497  13.242   0.267
  464    HA   HIS  63           HA       HIS  63   1.285  12.422   0.747
  465   1HB   HIS  63           HB2      HIS  63  -0.784  10.741  -0.702
  466   2HB   HIS  63           HB3      HIS  63   0.913  10.674  -1.147
  467    HD1  HIS  63           HND      HIS  63  -1.418   9.520   1.662
  468    HD2  HIS  63           HD       HIS  63   2.649   9.571   0.594
  469    HE1  HIS  63           HE       HIS  63  -0.258   7.799   3.120
  470    H    SER  64           H        SER  64   2.408  13.885  -0.363
  471    HA   SER  64           HA       SER  64   1.280  15.608  -2.335
  472   1HB   SER  64           HB2      SER  64   4.079  15.075  -1.273
  473   2HB   SER  64           HB3      SER  64   3.819  16.213  -2.604
  474    HG   SER  64           HG       SER  64   3.697  17.207  -0.530
  475    H    THR  65           H        THR  65   2.568  16.020  -4.480
  476    HA   THR  65           HA       THR  65   1.925  14.027  -6.245
  477    HB   THR  65           HB       THR  65   4.182  16.008  -6.690
  478    HG1  THR  65           HG1      THR  65   1.374  16.451  -6.691
  479   1HG2  THR  65          HG21      THR  65   1.996  15.016  -8.580
  480   2HG2  THR  65          HG22      THR  65   3.358  16.086  -8.974
  481   3HG2  THR  65          HG23      THR  65   3.659  14.399  -8.536
  482    H    ASP  66           H        ASP  66   5.184  14.727  -4.893
  483    HA   ASP  66           HA       ASP  66   6.594  12.791  -6.277
  484   1HB   ASP  66           HB2      ASP  66   7.179  14.567  -4.217
  485   2HB   ASP  66           HB3      ASP  66   7.332  13.018  -3.386
  486    H    ALA  67           H        ALA  67   4.658  12.408  -3.333
  487    HA   ALA  67           HA       ALA  67   5.225   9.595  -2.965
  488   1HB   ALA  67           HB1      ALA  67   4.363  10.702  -1.063
  489   2HB   ALA  67           HB2      ALA  67   2.998  11.386  -1.948
  490   3HB   ALA  67           HB3      ALA  67   3.061   9.641  -1.644
  491    H    ARG  68           H        ARG  68   2.437  11.357  -4.636
  492    HA   ARG  68           HA       ARG  68   1.099   8.935  -5.238
  493   1HB   ARG  68           HB2      ARG  68  -0.445  10.199  -6.255
  494   2HB   ARG  68           HB3      ARG  68   0.367  11.476  -5.354
  495   1HG   ARG  68           HG2      ARG  68   1.719  11.889  -7.550
  496   2HG   ARG  68           HG3      ARG  68   0.594  10.767  -8.305
  497   1HD   ARG  68           HD2      ARG  68  -1.052  12.565  -6.883
  498   2HD   ARG  68           HD3      ARG  68   0.275  13.565  -7.474
  499    HE   ARG  68           HE       ARG  68  -0.717  11.847  -9.559
  500   1HH1  ARG  68          HH11      ARG  68  -2.664  14.290 -11.165
  501   2HH1  ARG  68          HH12      ARG  68  -1.937  12.723 -11.298
  502   1HH2  ARG  68          HH21      ARG  68  -2.362  15.556  -9.180
  503   2HH2  ARG  68          HH22      ARG  68  -1.481  14.847  -7.863
  504    H    GLU  69           H        GLU  69   3.760  10.596  -6.834
  505    HA   GLU  69           HA       GLU  69   3.648   9.042  -9.320
  506   1HB   GLU  69           HB2      GLU  69   5.314  11.201  -8.127
  507   2HB   GLU  69           HB3      GLU  69   5.984  10.285  -9.474
  508   1HG   GLU  69           HG2      GLU  69   3.166  11.335  -9.793
  509   2HG   GLU  69           HG3      GLU  69   4.505  12.489  -9.863
  510    H    LEU  70           H        LEU  70   5.511   9.094  -6.278
  511    HA   LEU  70           HA       LEU  70   7.375   7.111  -6.940
  512   1HB   LEU  70           HB2      LEU  70   7.515   8.608  -5.025
  513   2HB   LEU  70           HB3      LEU  70   6.127   7.810  -4.294
  514    HG   LEU  70           HG       LEU  70   7.315   6.251  -3.335
  515   1HD1  LEU  70          HD11      LEU  70   8.764   5.792  -5.884
  516   2HD1  LEU  70          HD12      LEU  70   9.184   4.989  -4.351
  517   3HD1  LEU  70          HD13      LEU  70   7.544   4.849  -4.965
  518   1HD2  LEU  70          HD21      LEU  70   9.356   8.342  -3.908
  519   2HD2  LEU  70          HD22      LEU  70   8.770   7.663  -2.377
  520   3HD2  LEU  70          HD23      LEU  70   9.957   6.783  -3.343
  521    H    SER  71           H        SER  71   4.240   6.825  -5.234
  522    HA   SER  71           HA       SER  71   3.939   4.122  -4.996
  523   1HB   SER  71           HB2      SER  71   1.683   5.814  -6.214
  524   2HB   SER  71           HB3      SER  71   1.565   4.447  -5.102
  525    HG   SER  71           HG       SER  71   2.544   7.064  -4.554
  526    H    LYS  72           H        LYS  72   3.356   5.975  -8.087
  527    HA   LYS  72           HA       LYS  72   2.570   3.739  -9.650
  528   1HB   LYS  72           HB2      LYS  72   3.815   6.426 -10.296
  529   2HB   LYS  72           HB3      LYS  72   3.598   5.237 -11.563
  530   1HG   LYS  72           HG2      LYS  72   1.284   5.814  -9.706
  531   2HG   LYS  72           HG3      LYS  72   1.706   7.016 -10.938
  532   1HD   LYS  72           HD2      LYS  72   1.448   5.533 -12.731
  533   2HD   LYS  72           HD3      LYS  72   1.464   4.085 -11.720
  534   1HE   LYS  72           HE2      LYS  72  -0.737   4.235 -11.133
  535   2HE   LYS  72           HE3      LYS  72  -0.739   6.005 -11.094
  536   1HZ   LYS  72           HZ1      LYS  72  -0.787   6.034 -13.469
  537   2HZ   LYS  72           HZ2      LYS  72  -0.757   4.390 -13.558
  538   3HZ   LYS  72           HZ3      LYS  72  -2.058   5.159 -12.907
  539    H    THR  73           H        THR  73   5.843   4.881  -8.824
  540    HA   THR  73           HA       THR  73   7.239   2.996 -10.546
  541    HB   THR  73           HB       THR  73   8.016   4.855  -8.289
  542    HG1  THR  73           HG1      THR  73   7.784   5.522 -10.469
  543   1HG2  THR  73          HG21      THR  73   9.413   2.975  -7.742
  544   2HG2  THR  73          HG22      THR  73   9.851   2.746  -9.453
  545   3HG2  THR  73          HG23      THR  73  10.368   4.204  -8.578
  546    H    PHE  74           H        PHE  74   5.529   2.723  -7.579
  547    HA   PHE  74           HA       PHE  74   6.713   0.068  -6.894
  548   1HB   PHE  74           HB2      PHE  74   5.047   2.143  -5.431
  549   2HB   PHE  74           HB3      PHE  74   4.966   0.462  -4.957
  550    HD1  PHE  74           HD1      PHE  74   6.171   0.005  -3.106
  551    HD2  PHE  74           HD2      PHE  74   7.785   2.779  -5.969
  552    HE1  PHE  74           HE1      PHE  74   8.300  -0.019  -1.926
  553    HE2  PHE  74           HE2      PHE  74   9.867   2.888  -4.685
  554    HZ   PHE  74           HZ       PHE  74  10.168   1.424  -2.653
  555    H    ILE  75           H        ILE  75   4.271   1.249  -8.898
  556    HA   ILE  75           HA       ILE  75   2.039  -0.293  -8.072
  557    HB   ILE  75           HB       ILE  75   2.366   1.556  -9.899
  558   1HG1  ILE  75          HG12      ILE  75   0.310  -0.633  -9.809
  559   2HG1  ILE  75          HG13      ILE  75   0.287   1.014  -9.129
  560   1HG2  ILE  75          HG21      ILE  75   2.419   0.771 -12.179
  561   2HG2  ILE  75          HG22      ILE  75   3.805   0.077 -11.353
  562   3HG2  ILE  75          HG23      ILE  75   2.357  -0.927 -11.634
  563   1HD1  ILE  75          HD11      ILE  75   0.449   1.910 -11.452
  564   2HD1  ILE  75          HD12      ILE  75   0.177   0.245 -12.050
  565   3HD1  ILE  75          HD13      ILE  75  -1.067   1.060 -11.097
  566    H    ILE  76           H        ILE  76   1.607  -2.439  -8.108
  567    HA   ILE  76           HA       ILE  76   3.471  -4.258  -9.627
  568    HB   ILE  76           HB       ILE  76   2.597  -5.976  -8.052
  569   1HG1  ILE  76          HG12      ILE  76   1.712  -3.626  -6.325
  570   2HG1  ILE  76          HG13      ILE  76   0.590  -4.516  -7.349
  571   1HG2  ILE  76          HG21      ILE  76   4.073  -3.680  -6.684
  572   2HG2  ILE  76          HG22      ILE  76   4.210  -5.416  -6.338
  573   3HG2  ILE  76          HG23      ILE  76   4.829  -4.773  -7.856
  574   1HD1  ILE  76          HD11      ILE  76   1.351  -5.144  -4.739
  575   2HD1  ILE  76          HD12      ILE  76   0.468  -6.202  -5.872
  576   3HD1  ILE  76          HD13      ILE  76   2.229  -6.325  -5.725
  577    H    GLY  77           H        GLY  77   0.353  -2.916  -9.691
  578   1HA   GLY  77           HA1      GLY  77  -0.540  -3.900 -12.046
  579   2HA   GLY  77           HA2      GLY  77  -0.967  -5.182 -10.891
  580    H    GLU  78           H        GLU  78  -3.142  -4.823 -11.056
  581    HA   GLU  78           HA       GLU  78  -4.201  -2.327  -9.841
  582   1HB   GLU  78           HB2      GLU  78  -4.584  -3.330 -12.615
  583   2HB   GLU  78           HB3      GLU  78  -6.065  -2.903 -11.767
  584   1HG   GLU  78           HG2      GLU  78  -5.302  -0.720 -11.257
  585   2HG   GLU  78           HG3      GLU  78  -3.701  -1.021 -11.980
  586    H    LEU  79           H        LEU  79  -6.574  -2.540  -9.445
  587    HA   LEU  79           HA       LEU  79  -7.016  -4.951  -7.825
  588   1HB   LEU  79           HB2      LEU  79  -7.635  -2.773  -6.948
  589   2HB   LEU  79           HB3      LEU  79  -8.570  -2.454  -8.423
  590    HG   LEU  79           HG       LEU  79  -9.945  -4.597  -7.699
  591   1HD1  LEU  79          HD11      LEU  79  -9.945  -5.218  -5.455
  592   2HD1  LEU  79          HD12      LEU  79  -8.225  -5.068  -5.813
  593   3HD1  LEU  79          HD13      LEU  79  -9.064  -3.767  -4.948
  594   1HD2  LEU  79          HD21      LEU  79 -10.428  -1.936  -7.576
  595   2HD2  LEU  79          HD22      LEU  79 -11.545  -3.213  -7.191
  596   3HD2  LEU  79          HD23      LEU  79 -10.652  -2.408  -5.879
  597    H    HIS  80           H        HIS  80  -8.183  -6.665  -8.422
  598    HA   HIS  80           HA       HIS  80  -8.962  -7.329 -10.999
  599   1HB   HIS  80           HB2      HIS  80  -8.772  -8.729  -8.843
  600   2HB   HIS  80           HB3      HIS  80 -10.466  -8.338  -8.568
  601    HD1  HIS  80           HD1      HIS  80 -11.888 -10.334  -9.516
  602    HD2  HIS  80           HD2      HIS  80  -8.191  -9.810 -11.428
  603    HE1  HIS  80           HE1      HIS  80 -11.765 -12.096 -11.326
  604    HA   PRO  81           HA       PRO  81 -12.558  -4.878 -11.665
  605   1HB   PRO  81           HB2      PRO  81 -13.689  -6.176 -13.806
  606   2HB   PRO  81           HB3      PRO  81 -12.263  -5.100 -13.879
  607   1HG   PRO  81           HG2      PRO  81 -12.320  -8.116 -13.891
  608   2HG   PRO  81           HG3      PRO  81 -11.233  -7.016 -14.790
  609   1HD   PRO  81           HD2      PRO  81 -10.622  -8.342 -12.460
  610   2HD   PRO  81           HD3      PRO  81  -9.788  -6.862 -13.018
  611    H    ASP  82           H        ASP  82 -12.634  -8.224 -10.637
  612    HA   ASP  82           HA       ASP  82 -15.505  -8.454 -10.457
  613   1HB   ASP  82           HB2      ASP  82 -13.746 -10.324 -10.479
  614   2HB   ASP  82           HB3      ASP  82 -13.484  -9.909  -8.742
  615    H    ASP  83           H        ASP  83 -13.030  -6.967  -8.465
  616    HA   ASP  83           HA       ASP  83 -14.526  -6.816  -5.980
  617   1HB   ASP  83           HB2      ASP  83 -12.141  -6.733  -5.925
  618   2HB   ASP  83           HB3      ASP  83 -12.087  -5.421  -7.096
  619    H    ARG  84           H        ARG  84 -14.069  -4.794  -8.814
  620    HA   ARG  84           HA       ARG  84 -14.870  -2.337  -7.780
  621   1HB   ARG  84           HB2      ARG  84 -14.032  -3.361 -10.312
  622   2HB   ARG  84           HB3      ARG  84 -15.594  -2.621 -10.606
  623   1HG   ARG  84           HG2      ARG  84 -14.145  -0.864 -10.980
  624   2HG   ARG  84           HG3      ARG  84 -14.709  -0.568  -9.335
  625   1HD   ARG  84           HD2      ARG  84 -12.277  -0.252  -9.418
  626   2HD   ARG  84           HD3      ARG  84 -12.681  -1.637  -8.423
  627    HE   ARG  84           HE       ARG  84 -11.620  -3.072  -9.904
  628   1HH1  ARG  84          HH11      ARG  84  -9.945  -2.402 -12.916
  629   2HH1  ARG  84          HH12      ARG  84  -9.917  -3.391 -11.482
  630   1HH2  ARG  84          HH21      ARG  84 -11.122  -0.317 -12.866
  631   2HH2  ARG  84          HH22      ARG  84 -12.206  -0.031 -11.536
  632    HHA  HEM 201           HGM      HEM 201   4.799  10.807   4.976
  633    HHB  HEM 201           HDM      HEM 201   5.681   7.855  -0.694
  634    HHC  HEM 201           HAM      HEM 201   0.997   3.685   0.792
  635    HHD  HEM 201           HBM      HEM 201   0.403   6.423   6.624
  636   1HMA  HEM 201          HM81      HEM 201   6.608   9.950  -0.781
  637   2HMA  HEM 201          HM82      HEM 201   7.191  11.238   0.256
  638   3HMA  HEM 201          HM83      HEM 201   7.917   9.621   0.372
  639   1HAA  HEM 201          HAA1      HEM 201   6.791  11.620   3.851
  640   2HAA  HEM 201          HAA2      HEM 201   6.991  12.170   2.206
  641   1HBA  HEM 201          HBA1      HEM 201   5.275  13.240   4.138
  642   2HBA  HEM 201          HBA2      HEM 201   4.166  12.343   3.100
  643   1HMB  HEM 201          HM11      HEM 201   4.898   6.642  -2.700
  644   2HMB  HEM 201          HM12      HEM 201   5.825   5.301  -1.962
  645   3HMB  HEM 201          HM13      HEM 201   4.396   4.967  -2.945
  646    HAB  HEM 201          HT2A      HEM 201   2.569   2.777  -1.392
  647   1HBB  HEM 201          HV2C      HEM 201   0.989   5.081  -2.493
  648   2HBB  HEM 201          HV2T      HEM 201   0.910   3.255  -2.921
  649   1HMC  HEM 201          HM31      HEM 201  -1.480   2.574   3.523
  650   2HMC  HEM 201          HM32      HEM 201  -1.631   3.517   2.030
  651   3HMC  HEM 201          HM33      HEM 201  -0.316   2.338   2.204
  652    HAC  HEM 201          HT4A      HEM 201  -1.332   3.473   5.955
  653   1HBC  HEM 201          HV4C      HEM 201  -2.050   6.399   5.343
  654   2HBC  HEM 201          HV4T      HEM 201  -2.860   5.262   6.571
  655   1HMD  HEM 201          HM51      HEM 201   1.755   9.166   8.958
  656   2HMD  HEM 201          HM52      HEM 201   0.324   8.502   8.182
  657   3HMD  HEM 201          HM53      HEM 201   1.652   7.433   8.680
  658   1HAD  HEM 201          HAD1      HEM 201   3.919   9.903   8.427
  659   2HAD  HEM 201          HAD2      HEM 201   4.523  10.920   7.151
  660   1HBD  HEM 201          HBD1      HEM 201   2.903  12.472   7.404
  661   2HBD  HEM 201          HBD2      HEM 201   1.658  11.290   7.807
  Start of MODEL   31
    1   1H    ALA   3           H1       ALA   3   2.716  -8.371 -18.978
    2   2H    ALA   3           H2       ALA   3   1.701  -9.578 -18.577
    3   3H    ALA   3           H3       ALA   3   2.083  -9.323 -20.186
    4    HA   ALA   3           HA       ALA   3   1.013  -7.072 -19.853
    5   1HB   ALA   3           HB1      ALA   3  -0.729  -9.569 -19.546
    6   2HB   ALA   3           HB2      ALA   3  -1.287  -7.971 -20.079
    7   3HB   ALA   3           HB3      ALA   3  -0.152  -8.890 -21.085
    8    H    VAL   4           H        VAL   4  -0.741  -6.040 -18.389
    9    HA   VAL   4           HA       VAL   4   0.000  -6.263 -15.639
   10    HB   VAL   4           HB       VAL   4  -0.912  -4.227 -16.617
   11   1HG1  VAL   4          HG11      VAL   4  -3.284  -3.915 -17.071
   12   2HG1  VAL   4          HG12      VAL   4  -2.676  -5.211 -18.110
   13   3HG1  VAL   4          HG13      VAL   4  -3.639  -5.601 -16.669
   14   1HG2  VAL   4          HG21      VAL   4  -2.337  -3.567 -14.768
   15   2HG2  VAL   4          HG22      VAL   4  -2.673  -5.258 -14.359
   16   3HG2  VAL   4          HG23      VAL   4  -1.028  -4.605 -14.181
   17    H    LYS   5           H        LYS   5  -0.944  -7.389 -13.965
   18    HA   LYS   5           HA       LYS   5  -3.076  -9.367 -14.646
   19   1HB   LYS   5           HB2      LYS   5  -0.742 -10.337 -14.479
   20   2HB   LYS   5           HB3      LYS   5  -0.721  -9.857 -12.784
   21   1HG   LYS   5           HG2      LYS   5  -1.880 -11.691 -12.213
   22   2HG   LYS   5           HG3      LYS   5  -3.221 -11.232 -13.272
   23   1HD   LYS   5           HD2      LYS   5  -1.881 -12.194 -15.231
   24   2HD   LYS   5           HD3      LYS   5  -0.760 -12.872 -14.047
   25   1HE   LYS   5           HE2      LYS   5  -3.750 -13.466 -14.373
   26   2HE   LYS   5           HE3      LYS   5  -2.410 -14.543 -14.782
   27   1HZ   LYS   5           HZ1      LYS   5  -3.133 -13.651 -12.066
   28   2HZ   LYS   5           HZ2      LYS   5  -3.390 -15.142 -12.700
   29   3HZ   LYS   5           HZ3      LYS   5  -1.854 -14.624 -12.431
   30    H    TYR   6           H        TYR   6  -4.821  -8.477 -13.659
   31    HA   TYR   6           HA       TYR   6  -4.635  -6.792 -11.375
   32   1HB   TYR   6           HB2      TYR   6  -7.089  -8.296 -12.324
   33   2HB   TYR   6           HB3      TYR   6  -6.995  -6.819 -11.355
   34    HD1  TYR   6           HD1      TYR   6  -7.067  -8.193 -14.739
   35    HD2  TYR   6           HD2      TYR   6  -6.296  -4.684 -12.379
   36    HE1  TYR   6           HE1      TYR   6  -7.165  -6.794 -16.786
   37    HE2  TYR   6           HE2      TYR   6  -6.344  -3.283 -14.435
   38    HH   TYR   6           HH       TYR   6  -6.590  -3.269 -16.724
   39    H    TYR   7           H        TYR   7  -5.483  -7.199  -9.195
   40    HA   TYR   7           HA       TYR   7  -5.221 -10.062  -8.340
   41   1HB   TYR   7           HB2      TYR   7  -4.602  -7.558  -6.792
   42   2HB   TYR   7           HB3      TYR   7  -4.305  -9.210  -6.265
   43    HD1  TYR   7           HD1      TYR   7  -2.628 -10.645  -7.709
   44    HD2  TYR   7           HD2      TYR   7  -2.925  -6.357  -7.964
   45    HE1  TYR   7           HE1      TYR   7  -0.436 -10.547  -8.885
   46    HE2  TYR   7           HE2      TYR   7  -0.712  -6.253  -8.991
   47    HH   TYR   7           HH       TYR   7   0.938  -7.442 -10.057
   48    H    THR   8           H        THR   8  -6.705 -10.825  -6.910
   49    HA   THR   8           HA       THR   8  -9.286  -9.489  -6.682
   50    HB   THR   8           HB       THR   8  -9.900 -11.564  -5.492
   51    HG1  THR   8           HG1      THR   8  -7.820 -13.100  -5.529
   52   1HG2  THR   8          HG21      THR   8  -9.853 -11.625  -7.970
   53   2HG2  THR   8          HG22      THR   8  -8.173 -12.199  -7.940
   54   3HG2  THR   8          HG23      THR   8  -9.463 -13.204  -7.258
   55    H    LEU   9           H        LEU   9 -10.244  -8.900  -4.623
   56    HA   LEU   9           HA       LEU   9  -8.645  -7.597  -2.768
   57   1HB   LEU   9           HB2      LEU   9 -11.347  -7.973  -3.118
   58   2HB   LEU   9           HB3      LEU   9 -11.110  -8.897  -1.664
   59    HG   LEU   9           HG       LEU   9 -10.452  -5.956  -2.120
   60   1HD1  LEU   9          HD11      LEU   9 -12.308  -7.279  -0.092
   61   2HD1  LEU   9          HD12      LEU   9 -12.134  -5.541  -0.421
   62   3HD1  LEU   9          HD13      LEU   9 -12.849  -6.608  -1.638
   63   1HD2  LEU   9          HD21      LEU   9  -9.813  -5.871   0.301
   64   2HD2  LEU   9          HD22      LEU   9  -9.861  -7.644   0.351
   65   3HD2  LEU   9          HD23      LEU   9  -8.663  -6.800  -0.656
   66    H    GLU  10           H        GLU  10  -9.819 -10.939  -2.775
   67    HA   GLU  10           HA       GLU  10  -8.871 -11.906  -0.342
   68   1HB   GLU  10           HB2      GLU  10 -10.288 -13.138  -1.959
   69   2HB   GLU  10           HB3      GLU  10  -8.901 -13.381  -3.000
   70   1HG   GLU  10           HG2      GLU  10  -9.375 -15.381  -1.648
   71   2HG   GLU  10           HG3      GLU  10  -7.768 -14.734  -1.318
   72    H    GLU  11           H        GLU  11  -7.151 -12.267  -3.493
   73    HA   GLU  11           HA       GLU  11  -4.730 -13.198  -2.463
   74   1HB   GLU  11           HB2      GLU  11  -5.567 -11.771  -4.974
   75   2HB   GLU  11           HB3      GLU  11  -3.865 -11.809  -4.587
   76   1HG   GLU  11           HG2      GLU  11  -4.506 -13.713  -6.035
   77   2HG   GLU  11           HG3      GLU  11  -3.796 -14.218  -4.499
   78    H    ILE  12           H        ILE  12  -5.685  -9.746  -3.008
   79    HA   ILE  12           HA       ILE  12  -3.200  -8.783  -1.987
   80    HB   ILE  12           HB       ILE  12  -5.885  -7.338  -1.952
   81   1HG1  ILE  12          HG12      ILE  12  -5.368  -7.957  -4.269
   82   2HG1  ILE  12          HG13      ILE  12  -5.034  -6.254  -4.045
   83   1HG2  ILE  12          HG21      ILE  12  -3.001  -6.506  -1.520
   84   2HG2  ILE  12          HG22      ILE  12  -4.162  -5.368  -2.194
   85   3HG2  ILE  12          HG23      ILE  12  -4.438  -6.066  -0.585
   86   1HD1  ILE  12          HD11      ILE  12  -2.592  -6.937  -3.641
   87   2HD1  ILE  12          HD12      ILE  12  -3.077  -8.565  -4.210
   88   3HD1  ILE  12          HD13      ILE  12  -3.180  -7.170  -5.268
   89    H    GLN  13           H        GLN  13  -6.247  -9.494  -0.239
   90    HA   GLN  13           HA       GLN  13  -5.423  -8.642   2.302
   91   1HB   GLN  13           HB2      GLN  13  -7.508 -10.487   1.209
   92   2HB   GLN  13           HB3      GLN  13  -7.023 -10.788   2.862
   93   1HG   GLN  13           HG2      GLN  13  -7.910  -8.088   1.786
   94   2HG   GLN  13           HG3      GLN  13  -8.952  -9.222   2.663
   95   1HE2  GLN  13          HE21      GLN  13  -8.393  -6.502   3.525
   96   2HE2  GLN  13          HE22      GLN  13  -7.549  -6.643   5.059
   97    H    LYS  14           H        LYS  14  -4.696 -11.717   0.616
   98    HA   LYS  14           HA       LYS  14  -3.605 -13.017   2.884
   99   1HB   LYS  14           HB2      LYS  14  -2.811 -13.282  -0.044
  100   2HB   LYS  14           HB3      LYS  14  -2.302 -14.354   1.265
  101   1HG   LYS  14           HG2      LYS  14  -4.671 -14.863   1.783
  102   2HG   LYS  14           HG3      LYS  14  -5.210 -13.870   0.453
  103   1HD   LYS  14           HD2      LYS  14  -4.619 -15.314  -1.184
  104   2HD   LYS  14           HD3      LYS  14  -3.182 -15.905  -0.352
  105   1HE   LYS  14           HE2      LYS  14  -6.070 -16.612   0.392
  106   2HE   LYS  14           HE3      LYS  14  -5.007 -17.615  -0.609
  107   1HZ   LYS  14           HZ1      LYS  14  -4.985 -18.351   1.654
  108   2HZ   LYS  14           HZ2      LYS  14  -3.494 -17.775   1.255
  109   3HZ   LYS  14           HZ3      LYS  14  -4.503 -16.879   2.196
  110    H    HIS  15           H        HIS  15  -2.278 -10.326   1.096
  111    HA   HIS  15           HA       HIS  15   0.441 -10.746   2.286
  112   1HB   HIS  15           HB2      HIS  15  -0.524  -9.035  -0.002
  113   2HB   HIS  15           HB3      HIS  15   1.080  -8.887   0.720
  114    HD1  HIS  15           HD1      HIS  15   2.885 -10.360  -0.437
  115    HD2  HIS  15           HD2      HIS  15  -1.067 -11.694  -0.970
  116    HE1  HIS  15           HE1      HIS  15   2.973 -12.243  -2.146
  117    H    ASN  16           H        ASN  16  -0.930 -10.276   4.281
  118    HA   ASN  16           HA       ASN  16  -0.972  -7.334   4.881
  119   1HB   ASN  16           HB2      ASN  16  -2.813  -7.685   6.352
  120   2HB   ASN  16           HB3      ASN  16  -3.244  -8.433   4.819
  121   1HD2  ASN  16          HD21      ASN  16  -2.953 -10.815   4.684
  122   2HD2  ASN  16          HD22      ASN  16  -3.003 -11.826   6.102
  123    H    ASN  17           H        ASN  17   1.164  -9.736   5.424
  124    HA   ASN  17           HA       ASN  17   1.561  -9.239   8.258
  125   1HB   ASN  17           HB2      ASN  17  -0.588 -10.810   7.882
  126   2HB   ASN  17           HB3      ASN  17   0.636 -12.058   7.720
  127   1HD2  ASN  17          HD21      ASN  17  -1.501 -11.478   9.813
  128   2HD2  ASN  17          HD22      ASN  17  -0.608 -11.453  11.325
  129    H    SER  18           H        SER  18   3.034 -10.999   9.213
  130    HA   SER  18           HA       SER  18   5.063 -11.894   9.317
  131   1HB   SER  18           HB2      SER  18   4.113 -13.563   7.726
  132   2HB   SER  18           HB3      SER  18   4.817 -12.682   6.369
  133    HG   SER  18           HG       SER  18   6.869 -13.079   7.278
  134    H    LYS  19           H        LYS  19   5.096 -10.592   6.018
  135    HA   LYS  19           HA       LYS  19   6.528  -8.214   6.780
  136   1HB   LYS  19           HB2      LYS  19   8.029 -10.435   5.469
  137   2HB   LYS  19           HB3      LYS  19   8.107  -8.888   4.623
  138   1HG   LYS  19           HG2      LYS  19   8.800  -7.752   6.711
  139   2HG   LYS  19           HG3      LYS  19   8.802  -9.317   7.553
  140   1HD   LYS  19           HD2      LYS  19  10.514 -10.168   6.019
  141   2HD   LYS  19           HD3      LYS  19  10.536  -8.662   5.107
  142   1HE   LYS  19           HE2      LYS  19  11.225  -8.845   8.090
  143   2HE   LYS  19           HE3      LYS  19  12.422  -9.062   6.815
  144   1HZ   LYS  19           HZ1      LYS  19  12.026  -6.822   6.070
  145   2HZ   LYS  19           HZ2      LYS  19  10.879  -6.569   7.212
  146   3HZ   LYS  19           HZ3      LYS  19  12.430  -6.800   7.645
  147    H    SER  20           H        SER  20   5.401 -10.308   4.076
  148    HA   SER  20           HA       SER  20   5.060  -8.436   2.172
  149   1HB   SER  20           HB2      SER  20   4.009 -11.074   2.596
  150   2HB   SER  20           HB3      SER  20   2.696 -10.048   2.041
  151    HG   SER  20           HG       SER  20   4.508  -9.293   0.466
  152    H    THR  21           H        THR  21   4.181  -6.551   2.055
  153    HA   THR  21           HA       THR  21   1.689  -5.865   3.539
  154    HB   THR  21           HB       THR  21   4.260  -4.278   3.197
  155    HG1  THR  21           HG1      THR  21   4.277  -5.884   4.816
  156   1HG2  THR  21          HG21      THR  21   1.653  -3.200   3.478
  157   2HG2  THR  21          HG22      THR  21   2.390  -3.131   5.089
  158   3HG2  THR  21          HG23      THR  21   3.206  -2.385   3.711
  159    H    TRP  22           H        TRP  22   0.554  -6.367   1.592
  160    HA   TRP  22           HA       TRP  22   0.938  -4.433  -0.663
  161   1HB   TRP  22           HB2      TRP  22  -0.701  -6.970  -0.425
  162   2HB   TRP  22           HB3      TRP  22  -0.677  -5.889  -1.795
  163    HD1  TRP  22           HD1      TRP  22   2.846  -6.287  -0.851
  164    HE1  TRP  22           HE1      TRP  22   4.006  -7.640  -2.669
  165    HE3  TRP  22           HE3      TRP  22  -1.241  -8.435  -2.908
  166    HZ2  TRP  22           HZ2      TRP  22   3.204  -9.383  -4.877
  167    HZ3  TRP  22           HZ3      TRP  22  -1.120  -9.569  -5.098
  168    HH2  TRP  22           HH2      TRP  22   1.137 -10.184  -6.037
  169    H    LEU  23           H        LEU  23  -1.207  -3.541  -1.440
  170    HA   LEU  23           HA       LEU  23  -3.511  -3.531   0.212
  171   1HB   LEU  23           HB2      LEU  23  -3.247  -1.090   0.987
  172   2HB   LEU  23           HB3      LEU  23  -2.421  -2.348   1.868
  173    HG   LEU  23           HG       LEU  23  -0.324  -1.772   0.370
  174   1HD1  LEU  23          HD11      LEU  23  -1.860   0.821   0.254
  175   2HD1  LEU  23          HD12      LEU  23  -0.233   0.522  -0.380
  176   3HD1  LEU  23          HD13      LEU  23  -1.630  -0.223  -1.172
  177   1HD2  LEU  23          HD21      LEU  23  -1.400   0.073   2.509
  178   2HD2  LEU  23          HD22      LEU  23  -0.397  -1.377   2.756
  179   3HD2  LEU  23          HD23      LEU  23   0.282   0.026   1.900
  180    H    ILE  24           H        ILE  24  -4.928  -1.591  -0.449
  181    HA   ILE  24           HA       ILE  24  -4.704  -1.220  -3.406
  182    HB   ILE  24           HB       ILE  24  -7.130  -1.910  -1.733
  183   1HG1  ILE  24          HG12      ILE  24  -6.290  -3.344  -4.252
  184   2HG1  ILE  24          HG13      ILE  24  -5.350  -3.650  -2.803
  185   1HG2  ILE  24          HG21      ILE  24  -6.928  -1.055  -4.659
  186   2HG2  ILE  24          HG22      ILE  24  -8.365  -1.803  -3.937
  187   3HG2  ILE  24          HG23      ILE  24  -7.832  -0.216  -3.383
  188   1HD1  ILE  24          HD11      ILE  24  -8.379  -3.948  -2.882
  189   2HD1  ILE  24          HD12      ILE  24  -7.218  -5.277  -3.083
  190   3HD1  ILE  24          HD13      ILE  24  -7.289  -4.384  -1.554
  191    H    LEU  25           H        LEU  25  -4.360   0.851  -3.808
  192    HA   LEU  25           HA       LEU  25  -5.808   2.983  -2.263
  193   1HB   LEU  25           HB2      LEU  25  -3.077   2.903  -3.497
  194   2HB   LEU  25           HB3      LEU  25  -3.958   4.402  -3.249
  195    HG   LEU  25           HG       LEU  25  -3.603   4.583  -1.122
  196   1HD1  LEU  25          HD11      LEU  25  -3.257   2.748   0.471
  197   2HD1  LEU  25          HD12      LEU  25  -4.804   2.729  -0.388
  198   3HD1  LEU  25          HD13      LEU  25  -3.522   1.602  -0.882
  199   1HD2  LEU  25          HD21      LEU  25  -1.318   3.878  -0.502
  200   2HD2  LEU  25          HD22      LEU  25  -1.290   2.706  -1.820
  201   3HD2  LEU  25          HD23      LEU  25  -1.384   4.446  -2.177
  202    H    HIS  26           H        HIS  26  -7.523   3.489  -3.496
  203    HA   HIS  26           HA       HIS  26  -8.816   4.021  -5.278
  204   1HB   HIS  26           HB2      HIS  26  -6.235   4.974  -6.584
  205   2HB   HIS  26           HB3      HIS  26  -7.879   5.479  -6.988
  206    HD1  HIS  26           HD1      HIS  26  -9.072   7.170  -5.198
  207    HD2  HIS  26           HD2      HIS  26  -5.090   6.038  -4.440
  208    HE1  HIS  26           HE1      HIS  26  -8.215   8.722  -3.382
  209    H    TYR  27           H        TYR  27  -8.435   1.438  -5.243
  210    HA   TYR  27           HA       TYR  27  -8.559  -0.479  -6.436
  211   1HB   TYR  27           HB2      TYR  27  -8.927   1.229  -8.911
  212   2HB   TYR  27           HB3      TYR  27  -9.506  -0.400  -8.638
  213    HD1  TYR  27           HD1      TYR  27 -10.805  -0.167  -5.926
  214    HD2  TYR  27           HD2      TYR  27 -10.892   2.438  -9.368
  215    HE1  TYR  27           HE1      TYR  27 -13.180   0.307  -5.508
  216    HE2  TYR  27           HE2      TYR  27 -13.261   2.980  -8.876
  217    HH   TYR  27           HH       TYR  27 -15.077   1.412  -6.244
  218    H    LYS  28           H        LYS  28  -5.854   1.125  -6.338
  219    HA   LYS  28           HA       LYS  28  -4.480  -0.360  -8.507
  220   1HB   LYS  28           HB2      LYS  28  -4.587   2.324  -8.154
  221   2HB   LYS  28           HB3      LYS  28  -3.251   1.961  -7.082
  222   1HG   LYS  28           HG2      LYS  28  -1.893   2.010  -8.897
  223   2HG   LYS  28           HG3      LYS  28  -2.627   0.492  -9.416
  224   1HD   LYS  28           HD2      LYS  28  -2.932   2.016 -11.256
  225   2HD   LYS  28           HD3      LYS  28  -4.496   1.873 -10.467
  226   1HE   LYS  28           HE2      LYS  28  -3.349   4.019  -9.077
  227   2HE   LYS  28           HE3      LYS  28  -2.599   4.186 -10.663
  228   1HZ   LYS  28           HZ1      LYS  28  -4.850   4.144 -11.598
  229   2HZ   LYS  28           HZ2      LYS  28  -5.487   4.062 -10.079
  230   3HZ   LYS  28           HZ3      LYS  28  -4.646   5.398 -10.542
  231    H    VAL  29           H        VAL  29  -2.903  -1.890  -7.831
  232    HA   VAL  29           HA       VAL  29  -2.699  -2.190  -4.913
  233    HB   VAL  29           HB       VAL  29  -1.761  -4.109  -7.044
  234   1HG1  VAL  29          HG11      VAL  29  -1.606  -5.636  -5.262
  235   2HG1  VAL  29          HG12      VAL  29  -0.965  -4.167  -4.518
  236   3HG1  VAL  29          HG13      VAL  29  -2.625  -4.646  -4.180
  237   1HG2  VAL  29          HG21      VAL  29  -4.450  -3.811  -5.667
  238   2HG2  VAL  29          HG22      VAL  29  -4.103  -3.965  -7.408
  239   3HG2  VAL  29          HG23      VAL  29  -3.882  -5.351  -6.320
  240    H    TYR  30           H        TYR  30  -0.915  -1.759  -3.847
  241    HA   TYR  30           HA       TYR  30   1.623  -1.152  -5.308
  242   1HB   TYR  30           HB2      TYR  30   0.341   0.195  -2.901
  243   2HB   TYR  30           HB3      TYR  30   1.982   0.503  -3.444
  244    HD1  TYR  30           HD1      TYR  30  -1.491   1.388  -3.892
  245    HD2  TYR  30           HD2      TYR  30   2.237   1.153  -5.993
  246    HE1  TYR  30           HE1      TYR  30  -2.223   3.240  -5.433
  247    HE2  TYR  30           HE2      TYR  30   1.369   2.759  -7.685
  248    HH   TYR  30           HH       TYR  30  -0.006   4.932  -7.253
  249    H    ASP  31           H        ASP  31   3.300  -2.391  -4.670
  250    HA   ASP  31           HA       ASP  31   3.072  -3.940  -2.113
  251   1HB   ASP  31           HB2      ASP  31   3.566  -5.291  -4.114
  252   2HB   ASP  31           HB3      ASP  31   5.022  -4.321  -4.418
  253    H    LEU  32           H        LEU  32   3.962  -2.803  -0.457
  254    HA   LEU  32           HA       LEU  32   6.504  -1.344  -0.951
  255   1HB   LEU  32           HB2      LEU  32   4.475  -0.712   1.159
  256   2HB   LEU  32           HB3      LEU  32   5.837   0.246   0.738
  257    HG   LEU  32           HG       LEU  32   4.400  -0.016  -1.722
  258   1HD1  LEU  32          HD11      LEU  32   2.585   0.873   0.555
  259   2HD1  LEU  32          HD12      LEU  32   2.184   0.791  -1.173
  260   3HD1  LEU  32          HD13      LEU  32   2.462  -0.696  -0.270
  261   1HD2  LEU  32          HD21      LEU  32   4.572   2.384   0.085
  262   2HD2  LEU  32          HD22      LEU  32   5.904   1.769  -0.929
  263   3HD2  LEU  32          HD23      LEU  32   4.426   2.311  -1.700
  264    H    THR  33           H        THR  33   5.852  -4.222  -0.235
  265    HA   THR  33           HA       THR  33   6.352  -4.865   2.433
  266    HB   THR  33           HB       THR  33   7.261  -6.249  -0.109
  267    HG1  THR  33           HG1      THR  33   5.156  -6.110  -0.155
  268   1HG2  THR  33          HG21      THR  33   8.515  -7.211   1.730
  269   2HG2  THR  33          HG22      THR  33   7.062  -7.282   2.741
  270   3HG2  THR  33          HG23      THR  33   7.210  -8.320   1.299
  271    H    LYS  34           H        LYS  34   8.731  -4.074  -0.143
  272    HA   LYS  34           HA       LYS  34  10.917  -4.329   1.838
  273   1HB   LYS  34           HB2      LYS  34  10.927  -5.306  -0.623
  274   2HB   LYS  34           HB3      LYS  34  11.326  -3.637  -1.062
  275   1HG   LYS  34           HG2      LYS  34  13.055  -3.926   0.983
  276   2HG   LYS  34           HG3      LYS  34  12.832  -5.643   0.632
  277   1HD   LYS  34           HD2      LYS  34  13.611  -5.252  -1.697
  278   2HD   LYS  34           HD3      LYS  34  13.676  -3.500  -1.375
  279   1HE   LYS  34           HE2      LYS  34  15.342  -3.939   0.476
  280   2HE   LYS  34           HE3      LYS  34  15.370  -5.646   0.004
  281   1HZ   LYS  34           HZ1      LYS  34  16.156  -3.358  -1.684
  282   2HZ   LYS  34           HZ2      LYS  34  17.180  -4.401  -0.938
  283   3HZ   LYS  34           HZ3      LYS  34  16.205  -4.940  -2.149
  284    H    PHE  35           H        PHE  35   8.761  -2.083   1.656
  285    HA   PHE  35           HA       PHE  35  10.692   0.173   1.690
  286   1HB   PHE  35           HB2      PHE  35   8.751  -0.023  -0.198
  287   2HB   PHE  35           HB3      PHE  35   7.818   0.520   1.124
  288    HD1  PHE  35           HD1      PHE  35   7.237   2.777   0.932
  289    HD2  PHE  35           HD2      PHE  35  11.261   1.549  -0.052
  290    HE1  PHE  35           HE1      PHE  35   7.865   5.134   0.516
  291    HE2  PHE  35           HE2      PHE  35  11.878   3.899  -0.448
  292    HZ   PHE  35           HZ       PHE  35  10.188   5.705  -0.174
  293    H    LEU  36           H        LEU  36   9.073  -1.847   3.696
  294    HA   LEU  36           HA       LEU  36   7.444  -0.207   5.276
  295   1HB   LEU  36           HB2      LEU  36   9.172  -2.637   5.913
  296   2HB   LEU  36           HB3      LEU  36   8.059  -1.945   7.089
  297    HG   LEU  36           HG       LEU  36   7.182  -2.924   4.332
  298   1HD1  LEU  36          HD11      LEU  36   6.346  -4.902   5.507
  299   2HD1  LEU  36          HD12      LEU  36   8.097  -4.765   5.717
  300   3HD1  LEU  36          HD13      LEU  36   7.006  -4.304   7.045
  301   1HD2  LEU  36          HD21      LEU  36   4.932  -2.926   5.507
  302   2HD2  LEU  36          HD22      LEU  36   5.678  -2.001   6.818
  303   3HD2  LEU  36          HD23      LEU  36   5.596  -1.334   5.170
  304    H    GLU  37           H        GLU  37  10.814  -1.105   6.051
  305    HA   GLU  37           HA       GLU  37  11.135   0.772   8.166
  306   1HB   GLU  37           HB2      GLU  37  13.075  -0.761   6.412
  307   2HB   GLU  37           HB3      GLU  37  13.577   0.172   7.822
  308   1HG   GLU  37           HG2      GLU  37  12.569  -1.264   9.339
  309   2HG   GLU  37           HG3      GLU  37  11.350  -1.850   8.214
  310    H    GLU  38           H        GLU  38  11.556   0.993   4.680
  311    HA   GLU  38           HA       GLU  38  13.119   3.384   4.567
  312   1HB   GLU  38           HB2      GLU  38  11.223   2.116   2.597
  313   2HB   GLU  38           HB3      GLU  38  12.421   3.324   2.178
  314   1HG   GLU  38           HG2      GLU  38  13.404   0.753   3.470
  315   2HG   GLU  38           HG3      GLU  38  12.911   0.746   1.778
  316    H    HIS  39           HN       HIS  39   9.603   2.713   4.409
  317    HA   HIS  39           HA       HIS  39   8.764   5.176   3.406
  318   1HB   HIS  39           HB2      HIS  39   7.310   3.304   3.334
  319   2HB   HIS  39           HB3      HIS  39   7.364   3.107   5.083
  320    HD1  HIS  39           HND      HIS  39   5.333   3.972   6.302
  321    HD2  HIS  39           HD       HIS  39   5.919   5.747   2.532
  322    HE1  HIS  39           HE       HIS  39   3.288   5.366   5.851
  323    HA   PRO  40           HA       PRO  40   9.971   7.420   7.129
  324   1HB   PRO  40           HB2      PRO  40   9.358   9.988   6.382
  325   2HB   PRO  40           HB3      PRO  40  10.758   9.079   5.743
  326   1HG   PRO  40           HG2      PRO  40   8.032   9.388   4.460
  327   2HG   PRO  40           HG3      PRO  40   9.631   9.656   3.706
  328   1HD   PRO  40           HD2      PRO  40   8.293   7.330   3.404
  329   2HD   PRO  40           HD3      PRO  40  10.070   7.318   3.621
  330    H    GLY  41           H        GLY  41   6.753   7.348   5.741
  331   1HA   GLY  41           HA1      GLY  41   5.334   8.640   7.855
  332   2HA   GLY  41           HA2      GLY  41   4.709   7.459   6.685
  333    H    GLY  42           H        GLY  42   7.005   5.579   7.812
  334   1HA   GLY  42           HA1      GLY  42   7.281   4.496   9.929
  335   2HA   GLY  42           HA2      GLY  42   5.573   4.731  10.315
  336    H    GLU  43           H        GLU  43   6.937   2.252  10.353
  337    HA   GLU  43           HA       GLU  43   6.189   0.715   7.964
  338   1HB   GLU  43           HB2      GLU  43   7.348  -1.069   8.988
  339   2HB   GLU  43           HB3      GLU  43   8.374   0.363   9.092
  340   1HG   GLU  43           HG2      GLU  43   6.823  -0.948  11.383
  341   2HG   GLU  43           HG3      GLU  43   8.547  -1.050  11.062
  342    H    ALA  44           H        ALA  44   5.471   1.026  11.424
  343    HA   ALA  44           HA       ALA  44   3.666  -1.034  11.775
  344   1HB   ALA  44           HB1      ALA  44   3.594   1.724  13.078
  345   2HB   ALA  44           HB2      ALA  44   2.799   0.259  13.697
  346   3HB   ALA  44           HB3      ALA  44   4.570   0.336  13.597
  347    H    VAL  45           H        VAL  45   2.771   2.348  10.943
  348    HA   VAL  45           HA       VAL  45   0.013   1.869  10.674
  349    HB   VAL  45           HB       VAL  45   0.957   4.075  10.922
  350   1HG1  VAL  45          HG11      VAL  45   2.978   3.892   9.479
  351   2HG1  VAL  45          HG12      VAL  45   1.939   3.924   8.036
  352   3HG1  VAL  45          HG13      VAL  45   2.003   5.319   9.120
  353   1HG2  VAL  45          HG21      VAL  45  -1.302   3.793   9.939
  354   2HG2  VAL  45          HG22      VAL  45  -0.495   5.270   9.380
  355   3HG2  VAL  45          HG23      VAL  45  -0.587   3.854   8.317
  356    H    LEU  46           H        LEU  46   2.601   1.638   8.200
  357    HA   LEU  46           HA       LEU  46   0.875   0.987   6.037
  358   1HB   LEU  46           HB2      LEU  46   3.790   0.855   6.613
  359   2HB   LEU  46           HB3      LEU  46   3.247  -0.431   5.543
  360    HG   LEU  46           HG       LEU  46   2.735   2.525   5.042
  361   1HD1  LEU  46          HD11      LEU  46   5.158   1.862   4.932
  362   2HD1  LEU  46          HD12      LEU  46   4.741   0.610   3.750
  363   3HD1  LEU  46          HD13      LEU  46   4.503   2.321   3.345
  364   1HD2  LEU  46          HD21      LEU  46   2.185   1.746   2.745
  365   2HD2  LEU  46          HD22      LEU  46   2.385   0.058   3.262
  366   3HD2  LEU  46          HD23      LEU  46   1.064   1.046   3.911
  367    H    ARG  47           H        ARG  47   2.490  -1.042   8.483
  368    HA   ARG  47           HA       ARG  47   1.783  -3.563   7.316
  369   1HB   ARG  47           HB2      ARG  47   3.587  -2.997   9.087
  370   2HB   ARG  47           HB3      ARG  47   2.273  -3.013  10.261
  371   1HG   ARG  47           HG2      ARG  47   3.244  -5.155  10.349
  372   2HG   ARG  47           HG3      ARG  47   1.728  -5.387   9.492
  373   1HD   ARG  47           HD2      ARG  47   2.741  -6.003   7.545
  374   2HD   ARG  47           HD3      ARG  47   3.998  -4.791   7.642
  375    HE   ARG  47           HE       ARG  47   4.200  -7.547   8.394
  376   1HH1  ARG  47          HH11      ARG  47   7.225  -7.171  10.206
  377   2HH1  ARG  47          HH12      ARG  47   6.237  -8.308   9.354
  378   1HH2  ARG  47          HH21      ARG  47   6.727  -4.851  10.141
  379   2HH2  ARG  47          HH22      ARG  47   5.243  -4.356   9.384
  380    H    ALA  48           H        ALA  48   0.268  -1.408   9.685
  381    HA   ALA  48           HA       ALA  48  -1.863  -3.114  10.495
  382   1HB   ALA  48           HB1      ALA  48  -1.617  -0.079  10.438
  383   2HB   ALA  48           HB2      ALA  48  -2.809  -1.006  11.382
  384   3HB   ALA  48           HB3      ALA  48  -1.068  -1.145  11.738
  385    H    GLN  49           H        GLN  49  -1.667  -0.529   7.985
  386    HA   GLN  49           HA       GLN  49  -4.387  -1.084   7.079
  387   1HB   GLN  49           HB2      GLN  49  -2.192   0.865   6.501
  388   2HB   GLN  49           HB3      GLN  49  -3.297   0.564   5.175
  389   1HG   GLN  49           HG2      GLN  49  -4.216   1.362   7.964
  390   2HG   GLN  49           HG3      GLN  49  -4.019   2.469   6.590
  391   1HE2  GLN  49          HE21      GLN  49  -6.578   2.415   7.687
  392   2HE2  GLN  49          HE22      GLN  49  -7.616   1.503   6.593
  393    H    ALA  50           H        ALA  50  -1.306  -2.448   6.333
  394    HA   ALA  50           HA       ALA  50  -1.609  -3.303   3.745
  395   1HB   ALA  50           HB1      ALA  50   0.283  -3.874   5.314
  396   2HB   ALA  50           HB2      ALA  50  -0.743  -5.139   6.016
  397   3HB   ALA  50           HB3      ALA  50  -0.283  -5.220   4.303
  398    H    GLY  51           H        GLY  51  -2.667  -4.981   2.671
  399   1HA   GLY  51           HA1      GLY  51  -3.901  -7.062   2.772
  400   2HA   GLY  51           HA2      GLY  51  -4.879  -6.435   4.108
  401    H    GLY  52           H        GLY  52  -5.085  -3.674   2.863
  402   1HA   GLY  52           HA1      GLY  52  -6.047  -3.235   0.451
  403   2HA   GLY  52           HA2      GLY  52  -7.306  -4.352   1.009
  404    H    ASP  53           H        ASP  53  -8.426  -2.200   0.468
  405    HA   ASP  53           HA       ASP  53  -9.382  -0.246   1.006
  406   1HB   ASP  53           HB2      ASP  53 -10.754  -2.012   2.105
  407   2HB   ASP  53           HB3      ASP  53  -9.876  -1.716   3.619
  408    H    ALA  54           H        ALA  54  -6.845   0.359   1.134
  409    HA   ALA  54           HA       ALA  54  -6.479   1.962   3.652
  410   1HB   ALA  54           HB1      ALA  54  -4.629   0.403   3.227
  411   2HB   ALA  54           HB2      ALA  54  -4.439   1.061   1.595
  412   3HB   ALA  54           HB3      ALA  54  -4.138   2.110   3.007
  413    H    THR  55           H        THR  55  -7.851   2.287   0.692
  414    HA   THR  55           HA       THR  55  -6.478   4.452  -0.489
  415    HB   THR  55           HB       THR  55  -9.459   3.779  -0.563
  416    HG1  THR  55           HG1      THR  55  -7.674   2.198  -1.323
  417   1HG2  THR  55          HG21      THR  55  -9.023   6.047  -1.444
  418   2HG2  THR  55          HG22      THR  55  -7.672   5.415  -2.406
  419   3HG2  THR  55          HG23      THR  55  -9.344   4.934  -2.786
  420    H    ALA  56           H        ALA  56  -9.256   4.456   1.778
  421    HA   ALA  56           HA       ALA  56  -9.527   7.258   2.024
  422   1HB   ALA  56           HB1      ALA  56 -10.754   6.735   4.100
  423   2HB   ALA  56           HB2      ALA  56 -11.228   5.645   2.783
  424   3HB   ALA  56           HB3      ALA  56 -10.137   5.069   4.063
  425    H    ASN  57           H        ASN  57  -7.553   4.945   3.881
  426    HA   ASN  57           HA       ASN  57  -6.625   6.820   5.825
  427   1HB   ASN  57           HB2      ASN  57  -6.338   4.008   5.287
  428   2HB   ASN  57           HB3      ASN  57  -4.718   4.669   5.400
  429   1HD2  ASN  57          HD21      ASN  57  -7.911   4.676   7.094
  430   2HD2  ASN  57          HD22      ASN  57  -7.217   4.801   8.702
  431    H    PHE  58           H        PHE  58  -5.090   5.530   2.850
  432    HA   PHE  58           HA       PHE  58  -2.720   7.028   2.837
  433   1HB   PHE  58           HB2      PHE  58  -3.206   5.250   1.263
  434   2HB   PHE  58           HB3      PHE  58  -4.549   6.150   0.575
  435    HD1  PHE  58           HD1      PHE  58  -0.833   6.163   0.953
  436    HD2  PHE  58           HD2      PHE  58  -4.221   7.821  -1.147
  437    HE1  PHE  58           HE1      PHE  58   0.686   7.128  -0.753
  438    HE2  PHE  58           HE2      PHE  58  -2.720   8.788  -2.817
  439    HZ   PHE  58           HZ       PHE  58  -0.252   8.413  -2.667
  440    H    GLU  59           H        GLU  59  -5.899   7.936   1.396
  441    HA   GLU  59           HA       GLU  59  -5.137  10.562   0.621
  442   1HB   GLU  59           HB2      GLU  59  -7.834   9.366   1.318
  443   2HB   GLU  59           HB3      GLU  59  -7.620  10.961   0.577
  444   1HG   GLU  59           HG2      GLU  59  -6.554   8.403  -0.706
  445   2HG   GLU  59           HG3      GLU  59  -8.148   9.087  -1.027
  446    H    ALA  60           H        ALA  60  -6.602   9.358   3.656
  447    HA   ALA  60           HA       ALA  60  -7.093  11.829   4.887
  448   1HB   ALA  60           HB1      ALA  60  -7.045  10.602   7.003
  449   2HB   ALA  60           HB2      ALA  60  -7.891   9.655   5.764
  450   3HB   ALA  60           HB3      ALA  60  -6.233   9.230   6.233
  451    H    VAL  61           H        VAL  61  -4.072   9.904   4.777
  452    HA   VAL  61           HA       VAL  61  -2.503  11.763   6.338
  453    HB   VAL  61           HB       VAL  61  -1.739   9.750   4.197
  454   1HG1  VAL  61          HG11      VAL  61   0.025  11.464   4.257
  455   2HG1  VAL  61          HG12      VAL  61   0.046  11.396   6.030
  456   3HG1  VAL  61          HG13      VAL  61   0.579  10.006   5.064
  457   1HG2  VAL  61          HG21      VAL  61  -2.693   8.818   6.311
  458   2HG2  VAL  61          HG22      VAL  61  -0.991   8.412   6.091
  459   3HG2  VAL  61          HG23      VAL  61  -1.452   9.694   7.228
  460    H    GLY  62           H        GLY  62  -2.965  11.407   2.773
  461   1HA   GLY  62           HA1      GLY  62  -3.513  13.583   1.679
  462   2HA   GLY  62           HA2      GLY  62  -2.078  14.277   2.436
  463    H    HIS  63           HN       HIS  63  -0.034  12.851   2.071
  464    HA   HIS  63           HA       HIS  63   1.584  12.157   0.675
  465   1HB   HIS  63           HB2      HIS  63  -0.739  10.624  -0.529
  466   2HB   HIS  63           HB3      HIS  63   0.935  10.406  -1.012
  467    HD1  HIS  63           HND      HIS  63  -1.410   9.460   1.831
  468    HD2  HIS  63           HD       HIS  63   2.659   9.367   0.764
  469    HE1  HIS  63           HE       HIS  63  -0.274   7.825   3.417
  470    H    SER  64           H        SER  64   2.497  13.840  -0.315
  471    HA   SER  64           HA       SER  64   1.217  15.479  -2.247
  472   1HB   SER  64           HB2      SER  64   3.084  16.188  -0.754
  473   2HB   SER  64           HB3      SER  64   4.204  15.201  -1.715
  474    HG   SER  64           HG       SER  64   4.080  17.445  -2.353
  475    H    THR  65           H        THR  65   2.524  16.013  -4.352
  476    HA   THR  65           HA       THR  65   1.794  14.127  -6.275
  477    HB   THR  65           HB       THR  65   4.019  16.169  -6.604
  478    HG1  THR  65           HG1      THR  65   2.351  17.676  -6.882
  479   1HG2  THR  65          HG21      THR  65   1.826  15.223  -8.506
  480   2HG2  THR  65          HG22      THR  65   3.077  16.431  -8.867
  481   3HG2  THR  65          HG23      THR  65   3.536  14.744  -8.582
  482    H    ASP  66           H        ASP  66   5.021  14.808  -4.880
  483    HA   ASP  66           HA       ASP  66   6.639  12.980  -6.260
  484   1HB   ASP  66           HB2      ASP  66   7.312  14.681  -4.488
  485   2HB   ASP  66           HB3      ASP  66   6.651  13.642  -3.243
  486    H    ALA  67           H        ALA  67   4.822  12.506  -3.299
  487    HA   ALA  67           HA       ALA  67   5.421   9.731  -2.942
  488   1HB   ALA  67           HB1      ALA  67   2.986  11.237  -1.919
  489   2HB   ALA  67           HB2      ALA  67   3.588   9.674  -1.345
  490   3HB   ALA  67           HB3      ALA  67   4.563  11.141  -1.112
  491    H    ARG  68           H        ARG  68   2.739  11.382  -4.597
  492    HA   ARG  68           HA       ARG  68   1.261   9.006  -5.316
  493   1HB   ARG  68           HB2      ARG  68   1.325  11.864  -6.308
  494   2HB   ARG  68           HB3      ARG  68   0.333  10.641  -7.111
  495   1HG   ARG  68           HG2      ARG  68  -1.101  10.382  -5.336
  496   2HG   ARG  68           HG3      ARG  68   0.124  10.755  -4.119
  497   1HD   ARG  68           HD2      ARG  68  -1.632  12.419  -4.196
  498   2HD   ARG  68           HD3      ARG  68  -0.018  13.090  -4.494
  499    HE   ARG  68           HE       ARG  68  -1.004  12.600  -7.029
  500   1HH1  ARG  68          HH11      ARG  68  -2.679  15.684  -7.499
  501   2HH1  ARG  68          HH12      ARG  68  -1.917  14.341  -8.288
  502   1HH2  ARG  68          HH21      ARG  68  -2.761  15.758  -5.117
  503   2HH2  ARG  68          HH22      ARG  68  -2.019  14.465  -4.226
  504    H    GLU  69           H        GLU  69   3.997  10.738  -6.856
  505    HA   GLU  69           HA       GLU  69   3.839   9.150  -9.292
  506   1HB   GLU  69           HB2      GLU  69   5.649  11.174  -8.063
  507   2HB   GLU  69           HB3      GLU  69   6.305  10.221  -9.382
  508   1HG   GLU  69           HG2      GLU  69   3.663  11.764  -9.510
  509   2HG   GLU  69           HG3      GLU  69   5.213  12.377 -10.093
  510    H    LEU  70           H        LEU  70   5.885   9.200  -6.424
  511    HA   LEU  70           HA       LEU  70   7.462   7.031  -6.819
  512   1HB   LEU  70           HB2      LEU  70   7.614   8.717  -5.032
  513   2HB   LEU  70           HB3      LEU  70   6.228   7.968  -4.239
  514    HG   LEU  70           HG       LEU  70   7.411   6.485  -3.184
  515   1HD1  LEU  70          HD11      LEU  70   9.326   5.205  -4.097
  516   2HD1  LEU  70          HD12      LEU  70   7.737   5.063  -4.870
  517   3HD1  LEU  70          HD13      LEU  70   9.032   6.027  -5.652
  518   1HD2  LEU  70          HD21      LEU  70   9.797   8.137  -4.085
  519   2HD2  LEU  70          HD22      LEU  70   8.684   8.575  -2.769
  520   3HD2  LEU  70          HD23      LEU  70   9.697   7.126  -2.627
  521    H    SER  71           H        SER  71   4.305   6.968  -5.161
  522    HA   SER  71           HA       SER  71   3.789   4.324  -4.837
  523   1HB   SER  71           HB2      SER  71   1.560   4.613  -4.932
  524   2HB   SER  71           HB3      SER  71   2.105   6.256  -4.562
  525    HG   SER  71           HG       SER  71   1.711   6.731  -6.774
  526    H    LYS  72           H        LYS  72   3.529   5.891  -8.131
  527    HA   LYS  72           HA       LYS  72   2.710   3.501  -9.427
  528   1HB   LYS  72           HB2      LYS  72   4.066   6.004 -10.499
  529   2HB   LYS  72           HB3      LYS  72   3.733   4.580 -11.478
  530   1HG   LYS  72           HG2      LYS  72   1.317   4.718 -10.738
  531   2HG   LYS  72           HG3      LYS  72   1.676   6.312 -10.048
  532   1HD   LYS  72           HD2      LYS  72   2.187   7.249 -12.177
  533   2HD   LYS  72           HD3      LYS  72   2.477   5.662 -12.908
  534   1HE   LYS  72           HE2      LYS  72   0.031   5.115 -12.661
  535   2HE   LYS  72           HE3      LYS  72  -0.245   6.791 -12.147
  536   1HZ   LYS  72           HZ1      LYS  72   0.902   5.928 -14.728
  537   2HZ   LYS  72           HZ2      LYS  72  -0.632   6.463 -14.501
  538   3HZ   LYS  72           HZ3      LYS  72   0.637   7.490 -14.283
  539    H    THR  73           H        THR  73   5.963   4.621  -8.477
  540    HA   THR  73           HA       THR  73   7.400   2.676 -10.031
  541    HB   THR  73           HB       THR  73   8.200   4.120  -7.463
  542    HG1  THR  73           HG1      THR  73   8.484   4.742 -10.213
  543   1HG2  THR  73          HG21      THR  73   9.713   2.304  -7.758
  544   2HG2  THR  73          HG22      THR  73   9.868   2.627  -9.505
  545   3HG2  THR  73          HG23      THR  73  10.512   3.780  -8.312
  546    H    PHE  74           H        PHE  74   5.547   2.512  -7.117
  547    HA   PHE  74           HA       PHE  74   6.487  -0.266  -6.524
  548   1HB   PHE  74           HB2      PHE  74   4.851   1.743  -4.922
  549   2HB   PHE  74           HB3      PHE  74   5.023   0.056  -4.465
  550    HD1  PHE  74           HD1      PHE  74   7.467  -0.917  -4.450
  551    HD2  PHE  74           HD2      PHE  74   6.388   3.211  -3.804
  552    HE1  PHE  74           HE1      PHE  74   9.627  -0.534  -3.302
  553    HE2  PHE  74           HE2      PHE  74   8.497   3.543  -2.523
  554    HZ   PHE  74           HZ       PHE  74  10.150   1.701  -2.376
  555    H    ILE  75           H        ILE  75   4.391   1.003  -8.685
  556    HA   ILE  75           HA       ILE  75   1.951  -0.333  -7.991
  557    HB   ILE  75           HB       ILE  75   2.470   1.458  -9.800
  558   1HG1  ILE  75          HG12      ILE  75   0.372  -0.695 -10.038
  559   2HG1  ILE  75          HG13      ILE  75   0.335   0.809  -9.077
  560   1HG2  ILE  75          HG21      ILE  75   3.961  -0.079 -11.160
  561   2HG2  ILE  75          HG22      ILE  75   2.496  -1.021 -11.541
  562   3HG2  ILE  75          HG23      ILE  75   2.655   0.675 -12.063
  563   1HD1  ILE  75          HD11      ILE  75   0.524   2.148 -11.109
  564   2HD1  ILE  75          HD12      ILE  75   0.434   0.663 -12.103
  565   3HD1  ILE  75          HD13      ILE  75  -0.931   1.121 -11.091
  566    H    ILE  76           H        ILE  76   1.415  -2.490  -8.104
  567    HA   ILE  76           HA       ILE  76   3.208  -4.309  -9.707
  568    HB   ILE  76           HB       ILE  76   2.365  -6.059  -8.145
  569   1HG1  ILE  76          HG12      ILE  76   1.603  -3.762  -6.283
  570   2HG1  ILE  76          HG13      ILE  76   0.420  -4.525  -7.338
  571   1HG2  ILE  76          HG21      ILE  76   3.963  -3.795  -6.846
  572   2HG2  ILE  76          HG22      ILE  76   4.049  -5.520  -6.441
  573   3HG2  ILE  76          HG23      ILE  76   4.625  -4.958  -8.007
  574   1HD1  ILE  76          HD11      ILE  76   2.126  -6.284  -5.598
  575   2HD1  ILE  76          HD12      ILE  76   0.765  -5.394  -4.912
  576   3HD1  ILE  76          HD13      ILE  76   0.492  -6.537  -6.251
  577    H    GLY  77           H        GLY  77   0.076  -2.919  -9.519
  578   1HA   GLY  77           HA1      GLY  77  -0.893  -3.557 -11.912
  579   2HA   GLY  77           HA2      GLY  77  -1.309  -5.020 -10.987
  580    H    GLU  78           H        GLU  78  -3.449  -4.368 -11.357
  581    HA   GLU  78           HA       GLU  78  -4.475  -2.250  -9.548
  582   1HB   GLU  78           HB2      GLU  78  -4.998  -2.815 -12.469
  583   2HB   GLU  78           HB3      GLU  78  -6.352  -2.358 -11.455
  584   1HG   GLU  78           HG2      GLU  78  -5.793  -0.275 -12.056
  585   2HG   GLU  78           HG3      GLU  78  -4.657  -0.392 -10.721
  586    H    LEU  79           H        LEU  79  -6.756  -2.522  -9.102
  587    HA   LEU  79           HA       LEU  79  -7.194  -5.040  -7.786
  588   1HB   LEU  79           HB2      LEU  79  -7.955  -2.843  -6.937
  589   2HB   LEU  79           HB3      LEU  79  -8.921  -2.630  -8.408
  590    HG   LEU  79           HG       LEU  79 -10.285  -4.646  -7.729
  591   1HD1  LEU  79          HD11      LEU  79 -10.171  -5.290  -5.306
  592   2HD1  LEU  79          HD12      LEU  79  -8.706  -5.747  -6.183
  593   3HD1  LEU  79          HD13      LEU  79  -8.705  -4.307  -5.147
  594   1HD2  LEU  79          HD21      LEU  79 -11.701  -3.349  -6.474
  595   2HD2  LEU  79          HD22      LEU  79 -10.387  -2.536  -5.590
  596   3HD2  LEU  79          HD23      LEU  79 -10.740  -2.139  -7.288
  597    H    HIS  80           H        HIS  80  -8.473  -6.751  -8.452
  598    HA   HIS  80           HA       HIS  80  -9.095  -7.189 -11.167
  599   1HB   HIS  80           HB2      HIS  80  -8.909  -8.807  -9.153
  600   2HB   HIS  80           HB3      HIS  80 -10.623  -8.510  -8.912
  601    HD1  HIS  80           HD1      HIS  80 -12.173  -9.851 -10.691
  602    HD2  HIS  80           HD2      HIS  80  -8.023 -10.125 -11.284
  603    HE1  HIS  80           HE1      HIS  80 -11.827 -11.610 -12.464
  604    HA   PRO  81           HA       PRO  81 -12.743  -4.712 -11.665
  605   1HB   PRO  81           HB2      PRO  81 -13.857  -5.847 -13.897
  606   2HB   PRO  81           HB3      PRO  81 -12.401  -4.811 -13.918
  607   1HG   PRO  81           HG2      PRO  81 -12.492  -7.847 -13.852
  608   2HG   PRO  81           HG3      PRO  81 -11.549  -6.810 -14.969
  609   1HD   PRO  81           HD2      PRO  81 -10.436  -7.895 -12.797
  610   2HD   PRO  81           HD3      PRO  81 -10.036  -6.210 -13.239
  611    H    ASP  82           H        ASP  82 -12.760  -8.070 -10.845
  612    HA   ASP  82           HA       ASP  82 -15.630  -8.480 -10.766
  613   1HB   ASP  82           HB2      ASP  82 -14.025 -10.351 -10.879
  614   2HB   ASP  82           HB3      ASP  82 -13.402  -9.903  -9.247
  615    H    ASP  83           H        ASP  83 -13.187  -7.233  -8.543
  616    HA   ASP  83           HA       ASP  83 -14.782  -7.169  -6.152
  617   1HB   ASP  83           HB2      ASP  83 -12.357  -7.096  -6.096
  618   2HB   ASP  83           HB3      ASP  83 -12.354  -5.590  -7.035
  619    H    ARG  84           H        ARG  84 -14.287  -4.948  -8.828
  620    HA   ARG  84           HA       ARG  84 -15.100  -2.570  -7.646
  621   1HB   ARG  84           HB2      ARG  84 -14.362  -3.474 -10.302
  622   2HB   ARG  84           HB3      ARG  84 -15.848  -2.551 -10.452
  623   1HG   ARG  84           HG2      ARG  84 -14.129  -0.983 -10.707
  624   2HG   ARG  84           HG3      ARG  84 -14.794  -0.720  -9.093
  625   1HD   ARG  84           HD2      ARG  84 -12.406  -0.657  -8.825
  626   2HD   ARG  84           HD3      ARG  84 -12.953  -2.174  -8.145
  627    HE   ARG  84           HE       ARG  84 -11.745  -3.346  -9.711
  628   1HH1  ARG  84          HH11      ARG  84  -9.787  -2.122 -12.406
  629   2HH1  ARG  84          HH12      ARG  84  -9.916  -3.384 -11.230
  630   1HH2  ARG  84          HH21      ARG  84 -11.043  -0.132 -12.135
  631   2HH2  ARG  84          HH22      ARG  84 -12.245  -0.077 -10.878
  632    HHA  HEM 201           HGM      HEM 201   4.578  10.819   5.248
  633    HHB  HEM 201           HDM      HEM 201   5.751   7.856  -0.380
  634    HHC  HEM 201           HAM      HEM 201   0.910   3.779   0.800
  635    HHD  HEM 201           HBM      HEM 201   0.264   6.231   6.736
  636   1HMA  HEM 201          HM81      HEM 201   7.073  11.273   0.600
  637   2HMA  HEM 201          HM82      HEM 201   7.975   9.752   0.758
  638   3HMA  HEM 201          HM83      HEM 201   6.657   9.911  -0.423
  639   1HAA  HEM 201          HAA1      HEM 201   6.504  11.703   4.328
  640   2HAA  HEM 201          HAA2      HEM 201   7.277  11.843   2.767
  641   1HBA  HEM 201          HBA1      HEM 201   4.556  12.884   3.601
  642   2HBA  HEM 201          HBA2      HEM 201   4.969  12.662   1.892
  643   1HMB  HEM 201          HM11      HEM 201   5.867   5.565  -1.796
  644   2HMB  HEM 201          HM12      HEM 201   4.480   5.102  -2.783
  645   3HMB  HEM 201          HM13      HEM 201   4.836   6.816  -2.531
  646    HAB  HEM 201          HT2A      HEM 201   2.377   2.960  -1.281
  647   1HBB  HEM 201          HV2C      HEM 201   1.068   5.363  -2.532
  648   2HBB  HEM 201          HV2T      HEM 201   0.803   3.526  -2.835
  649   1HMC  HEM 201          HM31      HEM 201  -1.241   2.283   3.567
  650   2HMC  HEM 201          HM32      HEM 201  -1.892   3.427   2.381
  651   3HMC  HEM 201          HM33      HEM 201  -0.469   2.437   1.983
  652    HAC  HEM 201          HT4A      HEM 201  -1.177   3.299   6.132
  653   1HBC  HEM 201          HV4C      HEM 201  -2.286   6.086   5.484
  654   2HBC  HEM 201          HV4T      HEM 201  -2.578   5.066   7.019
  655   1HMD  HEM 201          HM51      HEM 201   0.487   7.482   8.488
  656   2HMD  HEM 201          HM52      HEM 201   1.947   8.139   9.232
  657   3HMD  HEM 201          HM53      HEM 201   0.659   9.228   8.678
  658   1HAD  HEM 201          HAD1      HEM 201   3.437   9.961   8.746
  659   2HAD  HEM 201          HAD2      HEM 201   4.312  10.792   7.477
  660   1HBD  HEM 201          HBD1      HEM 201   1.423  11.392   7.920
  661   2HBD  HEM 201          HBD2      HEM 201   2.674  12.122   8.931
  Start of MODEL   32
    1   1H    ALA   3           H1       ALA   3   3.424  -4.711 -18.557
    2   2H    ALA   3           H2       ALA   3   4.263  -5.964 -19.203
    3   3H    ALA   3           H3       ALA   3   3.390  -4.963 -20.208
    4    HA   ALA   3           HA       ALA   3   1.466  -5.982 -19.787
    5   1HB   ALA   3           HB1      ALA   3   1.646  -8.299 -18.895
    6   2HB   ALA   3           HB2      ALA   3   2.920  -7.982 -20.086
    7   3HB   ALA   3           HB3      ALA   3   3.302  -7.968 -18.350
    8    H    VAL   4           H        VAL   4  -0.035  -6.850 -17.863
    9    HA   VAL   4           HA       VAL   4   0.713  -5.831 -15.242
   10    HB   VAL   4           HB       VAL   4  -1.378  -4.562 -14.985
   11   1HG1  VAL   4          HG11      VAL   4   0.222  -3.437 -17.317
   12   2HG1  VAL   4          HG12      VAL   4  -0.758  -2.539 -16.149
   13   3HG1  VAL   4          HG13      VAL   4   0.714  -3.365 -15.609
   14   1HG2  VAL   4          HG21      VAL   4  -2.722  -3.850 -16.917
   15   2HG2  VAL   4          HG22      VAL   4  -1.769  -4.884 -17.995
   16   3HG2  VAL   4          HG23      VAL   4  -2.785  -5.605 -16.727
   17    H    LYS   5           H        LYS   5  -0.903  -6.671 -13.638
   18    HA   LYS   5           HA       LYS   5  -2.709  -8.784 -14.584
   19   1HB   LYS   5           HB2      LYS   5  -0.448  -9.862 -14.080
   20   2HB   LYS   5           HB3      LYS   5  -0.577  -9.198 -12.449
   21   1HG   LYS   5           HG2      LYS   5  -2.992 -10.541 -12.659
   22   2HG   LYS   5           HG3      LYS   5  -1.971 -11.526 -13.717
   23   1HD   LYS   5           HD2      LYS   5  -0.289 -11.638 -11.787
   24   2HD   LYS   5           HD3      LYS   5  -1.434 -10.674 -10.849
   25   1HE   LYS   5           HE2      LYS   5  -2.255 -12.600 -10.064
   26   2HE   LYS   5           HE3      LYS   5  -3.103 -12.713 -11.605
   27   1HZ   LYS   5           HZ1      LYS   5  -1.921 -14.720 -11.078
   28   2HZ   LYS   5           HZ2      LYS   5  -1.247 -14.048 -12.420
   29   3HZ   LYS   5           HZ3      LYS   5  -0.489 -13.927 -10.961
   30    H    TYR   6           H        TYR   6  -4.545  -8.751 -13.216
   31    HA   TYR   6           HA       TYR   6  -4.558  -6.653 -11.148
   32   1HB   TYR   6           HB2      TYR   6  -6.924  -8.232 -12.107
   33   2HB   TYR   6           HB3      TYR   6  -6.842  -6.616 -11.387
   34    HD1  TYR   6           HD1      TYR   6  -7.793  -8.093 -14.283
   35    HD2  TYR   6           HD2      TYR   6  -4.902  -5.178 -12.982
   36    HE1  TYR   6           HE1      TYR   6  -7.783  -7.096 -16.540
   37    HE2  TYR   6           HE2      TYR   6  -4.951  -4.126 -15.230
   38    HH   TYR   6           HH       TYR   6  -6.939  -5.430 -17.898
   39    H    TYR   7           H        TYR   7  -5.515  -7.125  -9.017
   40    HA   TYR   7           HA       TYR   7  -5.243  -9.994  -8.189
   41   1HB   TYR   7           HB2      TYR   7  -4.325  -7.584  -6.607
   42   2HB   TYR   7           HB3      TYR   7  -4.179  -9.281  -6.164
   43    HD1  TYR   7           HD1      TYR   7  -2.541 -10.745  -7.293
   44    HD2  TYR   7           HD2      TYR   7  -2.713  -6.513  -8.018
   45    HE1  TYR   7           HE1      TYR   7  -0.321 -10.848  -8.395
   46    HE2  TYR   7           HE2      TYR   7  -0.578  -6.644  -9.294
   47    HH   TYR   7           HH       TYR   7   1.327  -9.654  -9.510
   48    H    THR   8           H        THR   8  -6.780 -10.726  -6.773
   49    HA   THR   8           HA       THR   8  -9.205  -9.139  -6.492
   50    HB   THR   8           HB       THR   8 -10.155 -11.095  -5.536
   51    HG1  THR   8           HG1      THR   8  -7.998 -12.774  -5.502
   52   1HG2  THR   8          HG21      THR   8  -8.271 -12.316  -7.578
   53   2HG2  THR   8          HG22      THR   8 -10.002 -12.606  -7.315
   54   3HG2  THR   8          HG23      THR   8  -9.463 -11.091  -8.045
   55    H    LEU   9           H        LEU   9 -10.189  -8.526  -4.423
   56    HA   LEU   9           HA       LEU   9  -8.521  -7.394  -2.541
   57   1HB   LEU   9           HB2      LEU   9 -11.305  -7.737  -2.899
   58   2HB   LEU   9           HB3      LEU   9 -11.009  -8.463  -1.379
   59    HG   LEU   9           HG       LEU   9 -10.133  -5.640  -2.149
   60   1HD1  LEU   9          HD11      LEU   9 -11.916  -4.817  -0.757
   61   2HD1  LEU   9          HD12      LEU   9 -12.624  -5.963  -1.902
   62   3HD1  LEU   9          HD13      LEU   9 -12.344  -6.457  -0.221
   63   1HD2  LEU   9          HD21      LEU   9 -10.050  -7.010   0.574
   64   2HD2  LEU   9          HD22      LEU   9  -8.634  -6.550  -0.398
   65   3HD2  LEU   9          HD23      LEU   9  -9.694  -5.300   0.262
   66    H    GLU  10           H        GLU  10  -9.854 -10.703  -2.670
   67    HA   GLU  10           HA       GLU  10  -8.961 -11.634  -0.168
   68   1HB   GLU  10           HB2      GLU  10 -10.545 -12.761  -1.775
   69   2HB   GLU  10           HB3      GLU  10  -9.159 -13.246  -2.736
   70   1HG   GLU  10           HG2      GLU  10  -9.784 -15.083  -1.278
   71   2HG   GLU  10           HG3      GLU  10  -8.213 -14.465  -0.767
   72    H    GLU  11           H        GLU  11  -7.417 -12.070  -3.397
   73    HA   GLU  11           HA       GLU  11  -5.046 -13.265  -2.513
   74   1HB   GLU  11           HB2      GLU  11  -5.880 -11.722  -4.936
   75   2HB   GLU  11           HB3      GLU  11  -4.176 -11.616  -4.564
   76   1HG   GLU  11           HG2      GLU  11  -4.412 -13.476  -6.027
   77   2HG   GLU  11           HG3      GLU  11  -4.061 -14.135  -4.427
   78    H    ILE  12           H        ILE  12  -5.755  -9.778  -2.906
   79    HA   ILE  12           HA       ILE  12  -3.231  -8.886  -1.975
   80    HB   ILE  12           HB       ILE  12  -5.927  -7.474  -1.919
   81   1HG1  ILE  12          HG12      ILE  12  -3.742  -7.021  -3.967
   82   2HG1  ILE  12          HG13      ILE  12  -4.857  -8.357  -4.209
   83   1HG2  ILE  12          HG21      ILE  12  -4.284  -5.427  -2.128
   84   2HG2  ILE  12          HG22      ILE  12  -4.473  -6.180  -0.531
   85   3HG2  ILE  12          HG23      ILE  12  -3.063  -6.553  -1.552
   86   1HD1  ILE  12          HD11      ILE  12  -6.788  -6.895  -4.192
   87   2HD1  ILE  12          HD12      ILE  12  -5.779  -5.518  -3.748
   88   3HD1  ILE  12          HD13      ILE  12  -5.616  -6.252  -5.337
   89    H    GLN  13           H        GLN  13  -6.295  -9.523  -0.146
   90    HA   GLN  13           HA       GLN  13  -5.470  -8.656   2.384
   91   1HB   GLN  13           HB2      GLN  13  -7.473 -10.740   1.454
   92   2HB   GLN  13           HB3      GLN  13  -7.113 -10.444   3.131
   93   1HG   GLN  13           HG2      GLN  13  -7.622  -7.868   1.994
   94   2HG   GLN  13           HG3      GLN  13  -8.854  -8.965   1.380
   95   1HE2  GLN  13          HE21      GLN  13  -8.068  -7.013   4.050
   96   2HE2  GLN  13          HE22      GLN  13  -9.314  -7.648   5.117
   97    H    LYS  14           H        LYS  14  -4.984 -11.874   0.762
   98    HA   LYS  14           HA       LYS  14  -3.847 -13.127   3.025
   99   1HB   LYS  14           HB2      LYS  14  -3.132 -13.524   0.094
  100   2HB   LYS  14           HB3      LYS  14  -2.611 -14.543   1.439
  101   1HG   LYS  14           HG2      LYS  14  -5.109 -14.904   1.967
  102   2HG   LYS  14           HG3      LYS  14  -5.436 -14.139   0.412
  103   1HD   LYS  14           HD2      LYS  14  -3.452 -15.984  -0.246
  104   2HD   LYS  14           HD3      LYS  14  -4.331 -16.834   1.038
  105   1HE   LYS  14           HE2      LYS  14  -6.477 -16.447  -0.261
  106   2HE   LYS  14           HE3      LYS  14  -5.534 -15.598  -1.500
  107   1HZ   LYS  14           HZ1      LYS  14  -5.718 -17.642  -2.352
  108   2HZ   LYS  14           HZ2      LYS  14  -4.247 -17.770  -1.632
  109   3HZ   LYS  14           HZ3      LYS  14  -5.570 -18.445  -0.914
  110    H    HIS  15           H        HIS  15  -2.474 -10.628   0.986
  111    HA   HIS  15           HA       HIS  15   0.256 -10.965   2.139
  112   1HB   HIS  15           HB2      HIS  15  -0.813  -9.216  -0.087
  113   2HB   HIS  15           HB3      HIS  15   0.833  -9.162   0.546
  114    HD1  HIS  15           HD1      HIS  15   2.335 -10.267  -1.208
  115    HD2  HIS  15           HD2      HIS  15  -1.368 -12.195  -0.717
  116    HE1  HIS  15           HE1      HIS  15   2.251 -12.170  -2.916
  117    H    ASN  16           H        ASN  16  -1.032 -10.581   4.163
  118    HA   ASN  16           HA       ASN  16  -1.106  -7.663   4.880
  119   1HB   ASN  16           HB2      ASN  16  -2.762  -8.138   6.550
  120   2HB   ASN  16           HB3      ASN  16  -3.360  -8.755   5.025
  121   1HD2  ASN  16          HD21      ASN  16  -3.003 -11.124   4.627
  122   2HD2  ASN  16          HD22      ASN  16  -3.024 -12.247   5.966
  123    H    ASN  17           H        ASN  17   1.322  -9.285   4.881
  124    HA   ASN  17           HA       ASN  17   1.792  -9.540   7.842
  125   1HB   ASN  17           HB2      ASN  17   1.975 -11.646   5.774
  126   2HB   ASN  17           HB3      ASN  17   3.506 -11.385   6.602
  127   1HD2  ASN  17          HD21      ASN  17   0.528 -13.019   6.856
  128   2HD2  ASN  17          HD22      ASN  17   0.654 -13.403   8.561
  129    H    SER  18           H        SER  18   4.013  -9.296   8.460
  130    HA   SER  18           HA       SER  18   5.334  -7.073   7.349
  131   1HB   SER  18           HB2      SER  18   5.745  -8.094   9.608
  132   2HB   SER  18           HB3      SER  18   6.650  -9.408   8.819
  133    HG   SER  18           HG       SER  18   7.923  -7.563   9.580
  134    H    LYS  19           H        LYS  19   5.616 -10.524   6.615
  135    HA   LYS  19           HA       LYS  19   7.789 -10.429   4.877
  136   1HB   LYS  19           HB2      LYS  19   6.213 -12.460   5.869
  137   2HB   LYS  19           HB3      LYS  19   5.598 -12.370   4.218
  138   1HG   LYS  19           HG2      LYS  19   8.294 -12.242   3.743
  139   2HG   LYS  19           HG3      LYS  19   8.301 -13.157   5.258
  140   1HD   LYS  19           HD2      LYS  19   6.915 -14.905   4.229
  141   2HD   LYS  19           HD3      LYS  19   6.669 -13.895   2.782
  142   1HE   LYS  19           HE2      LYS  19   9.121 -13.894   2.341
  143   2HE   LYS  19           HE3      LYS  19   9.383 -14.936   3.749
  144   1HZ   LYS  19           HZ1      LYS  19   9.350 -16.130   1.669
  145   2HZ   LYS  19           HZ2      LYS  19   8.127 -16.644   2.639
  146   3HZ   LYS  19           HZ3      LYS  19   7.810 -15.653   1.358
  147    H    SER  20           H        SER  20   4.492  -9.350   4.280
  148    HA   SER  20           HA       SER  20   5.138  -8.401   1.658
  149   1HB   SER  20           HB2      SER  20   4.691 -10.864   1.195
  150   2HB   SER  20           HB3      SER  20   3.023 -10.588   1.722
  151    HG   SER  20           HG       SER  20   3.345  -8.721   0.025
  152    H    THR  21           H        THR  21   4.493  -6.491   2.581
  153    HA   THR  21           HA       THR  21   1.712  -6.050   3.488
  154    HB   THR  21           HB       THR  21   4.245  -4.388   3.334
  155    HG1  THR  21           HG1      THR  21   3.722  -5.933   5.041
  156   1HG2  THR  21          HG21      THR  21   2.638  -2.691   4.637
  157   2HG2  THR  21          HG22      THR  21   2.868  -2.619   2.884
  158   3HG2  THR  21          HG23      THR  21   1.428  -3.385   3.548
  159    H    TRP  22           H        TRP  22   0.450  -6.427   1.653
  160    HA   TRP  22           HA       TRP  22   0.848  -4.551  -0.651
  161   1HB   TRP  22           HB2      TRP  22  -0.875  -7.024  -0.300
  162   2HB   TRP  22           HB3      TRP  22  -0.929  -5.926  -1.675
  163    HD1  TRP  22           HD1      TRP  22   2.609  -6.503  -0.703
  164    HE1  TRP  22           HE1      TRP  22   3.757  -7.812  -2.420
  165    HE3  TRP  22           HE3      TRP  22  -1.528  -8.072  -3.262
  166    HZ2  TRP  22           HZ2      TRP  22   3.002  -9.504  -4.744
  167    HZ3  TRP  22           HZ3      TRP  22  -1.297  -9.568  -5.191
  168    HH2  TRP  22           HH2      TRP  22   0.976 -10.255  -5.996
  169    H    LEU  23           H        LEU  23  -1.410  -3.671  -1.392
  170    HA   LEU  23           HA       LEU  23  -3.582  -3.495   0.365
  171   1HB   LEU  23           HB2      LEU  23  -3.217  -0.972   0.940
  172   2HB   LEU  23           HB3      LEU  23  -2.559  -2.224   1.953
  173    HG   LEU  23           HG       LEU  23  -0.306  -1.936   0.750
  174   1HD1  LEU  23          HD11      LEU  23  -1.704   0.551  -0.238
  175   2HD1  LEU  23          HD12      LEU  23   0.029   0.248  -0.355
  176   3HD1  LEU  23          HD13      LEU  23  -1.100  -0.757  -1.282
  177   1HD2  LEU  23          HD21      LEU  23  -0.702  -1.019   2.958
  178   2HD2  LEU  23          HD22      LEU  23   0.249   0.106   1.955
  179   3HD2  LEU  23          HD23      LEU  23  -1.494   0.403   2.234
  180    H    ILE  24           H        ILE  24  -5.057  -1.667  -0.383
  181    HA   ILE  24           HA       ILE  24  -4.657  -1.171  -3.315
  182    HB   ILE  24           HB       ILE  24  -7.179  -1.629  -1.728
  183   1HG1  ILE  24          HG12      ILE  24  -6.420  -3.145  -4.196
  184   2HG1  ILE  24          HG13      ILE  24  -5.609  -3.555  -2.686
  185   1HG2  ILE  24          HG21      ILE  24  -6.756  -0.573  -4.537
  186   2HG2  ILE  24          HG22      ILE  24  -8.229  -1.458  -4.106
  187   3HG2  ILE  24          HG23      ILE  24  -7.836   0.048  -3.267
  188   1HD1  ILE  24          HD11      ILE  24  -7.565  -4.160  -1.549
  189   2HD1  ILE  24          HD12      ILE  24  -8.632  -3.304  -2.675
  190   3HD1  ILE  24          HD13      ILE  24  -7.855  -4.812  -3.170
  191    H    LEU  25           H        LEU  25  -4.187   0.908  -3.724
  192    HA   LEU  25           HA       LEU  25  -5.445   3.105  -2.115
  193   1HB   LEU  25           HB2      LEU  25  -2.659   2.848  -3.264
  194   2HB   LEU  25           HB3      LEU  25  -3.416   4.389  -2.957
  195    HG   LEU  25           HG       LEU  25  -2.906   4.456  -0.894
  196   1HD1  LEU  25          HD11      LEU  25  -3.560   1.551  -0.522
  197   2HD1  LEU  25          HD12      LEU  25  -3.102   2.688   0.761
  198   3HD1  LEU  25          HD13      LEU  25  -4.555   2.984  -0.190
  199   1HD2  LEU  25          HD21      LEU  25  -0.900   3.050  -0.212
  200   2HD2  LEU  25          HD22      LEU  25  -1.103   2.148  -1.717
  201   3HD2  LEU  25          HD23      LEU  25  -0.741   3.876  -1.772
  202    H    HIS  26           H        HIS  26  -7.113   3.585  -3.403
  203    HA   HIS  26           HA       HIS  26  -8.255   4.452  -5.123
  204   1HB   HIS  26           HB2      HIS  26  -5.645   5.292  -6.411
  205   2HB   HIS  26           HB3      HIS  26  -7.258   5.956  -6.686
  206    HD1  HIS  26           HD1      HIS  26  -8.164   7.653  -4.720
  207    HD2  HIS  26           HD2      HIS  26  -4.290   6.084  -4.329
  208    HE1  HIS  26           HE1      HIS  26  -6.983   9.074  -2.959
  209    H    TYR  27           H        TYR  27  -8.135   1.888  -5.226
  210    HA   TYR  27           HA       TYR  27  -8.544   0.057  -6.417
  211   1HB   TYR  27           HB2      TYR  27  -8.696   1.907  -8.820
  212   2HB   TYR  27           HB3      TYR  27  -9.301   0.261  -8.708
  213    HD1  TYR  27           HD1      TYR  27 -11.499  -0.187  -7.961
  214    HD2  TYR  27           HD2      TYR  27  -9.806   3.724  -7.345
  215    HE1  TYR  27           HE1      TYR  27 -13.658   0.607  -7.056
  216    HE2  TYR  27           HE2      TYR  27 -11.946   4.503  -6.403
  217    HH   TYR  27           HH       TYR  27 -14.128   3.950  -5.884
  218    H    LYS  28           H        LYS  28  -5.658   1.161  -6.243
  219    HA   LYS  28           HA       LYS  28  -4.422  -0.508  -8.387
  220   1HB   LYS  28           HB2      LYS  28  -3.590   2.151  -7.219
  221   2HB   LYS  28           HB3      LYS  28  -2.566   1.151  -8.258
  222   1HG   LYS  28           HG2      LYS  28  -4.261   1.341 -10.075
  223   2HG   LYS  28           HG3      LYS  28  -5.342   2.190  -8.999
  224   1HD   LYS  28           HD2      LYS  28  -3.179   3.851  -8.828
  225   2HD   LYS  28           HD3      LYS  28  -2.875   3.120 -10.405
  226   1HE   LYS  28           HE2      LYS  28  -4.222   4.864 -11.094
  227   2HE   LYS  28           HE3      LYS  28  -5.468   3.645 -10.817
  228   1HZ   LYS  28           HZ1      LYS  28  -6.010   5.745  -9.792
  229   2HZ   LYS  28           HZ2      LYS  28  -5.841   4.576  -8.633
  230   3HZ   LYS  28           HZ3      LYS  28  -4.645   5.709  -8.881
  231    H    VAL  29           H        VAL  29  -2.845  -1.950  -7.705
  232    HA   VAL  29           HA       VAL  29  -2.629  -2.263  -4.785
  233    HB   VAL  29           HB       VAL  29  -1.778  -4.224  -6.919
  234   1HG1  VAL  29          HG11      VAL  29  -0.949  -4.533  -4.520
  235   2HG1  VAL  29          HG12      VAL  29  -2.638  -4.623  -4.011
  236   3HG1  VAL  29          HG13      VAL  29  -1.972  -5.850  -5.108
  237   1HG2  VAL  29          HG21      VAL  29  -3.929  -5.344  -6.505
  238   2HG2  VAL  29          HG22      VAL  29  -4.481  -3.936  -5.569
  239   3HG2  VAL  29          HG23      VAL  29  -4.123  -3.788  -7.307
  240    H    TYR  30           H        TYR  30  -0.761  -2.079  -3.705
  241    HA   TYR  30           HA       TYR  30   1.764  -1.472  -5.199
  242   1HB   TYR  30           HB2      TYR  30   0.643  -0.203  -2.684
  243   2HB   TYR  30           HB3      TYR  30   2.213   0.153  -3.363
  244    HD1  TYR  30           HD1      TYR  30   2.312   1.199  -5.696
  245    HD2  TYR  30           HD2      TYR  30  -1.424   0.580  -3.693
  246    HE1  TYR  30           HE1      TYR  30   1.180   2.814  -7.258
  247    HE2  TYR  30           HE2      TYR  30  -2.509   2.131  -5.267
  248    HH   TYR  30           HH       TYR  30  -2.140   3.927  -6.607
  249    H    ASP  31           H        ASP  31   3.171  -3.087  -4.822
  250    HA   ASP  31           HA       ASP  31   3.150  -4.609  -2.259
  251   1HB   ASP  31           HB2      ASP  31   3.414  -5.952  -4.291
  252   2HB   ASP  31           HB3      ASP  31   4.731  -4.892  -4.842
  253    H    LEU  32           H        LEU  32   4.165  -3.378  -0.669
  254    HA   LEU  32           HA       LEU  32   6.733  -2.103  -1.446
  255   1HB   LEU  32           HB2      LEU  32   5.157  -1.293   0.999
  256   2HB   LEU  32           HB3      LEU  32   6.556  -0.594   0.233
  257    HG   LEU  32           HG       LEU  32   4.840  -0.515  -1.890
  258   1HD1  LEU  32          HD11      LEU  32   3.037  -1.511  -0.343
  259   2HD1  LEU  32          HD12      LEU  32   3.088   0.008   0.558
  260   3HD1  LEU  32          HD13      LEU  32   2.608  -0.016  -1.155
  261   1HD2  LEU  32          HD21      LEU  32   4.569   1.835  -1.404
  262   2HD2  LEU  32          HD22      LEU  32   5.026   1.568   0.304
  263   3HD2  LEU  32          HD23      LEU  32   6.205   1.308  -1.005
  264    H    THR  33           H        THR  33   5.738  -3.002   1.835
  265    HA   THR  33           HA       THR  33   6.649  -4.234   3.386
  266    HB   THR  33           HB       THR  33   6.319  -5.967   1.214
  267    HG1  THR  33           HG1      THR  33   6.782  -6.776   3.886
  268   1HG2  THR  33          HG21      THR  33   7.905  -7.763   1.652
  269   2HG2  THR  33          HG22      THR  33   8.688  -6.349   0.941
  270   3HG2  THR  33          HG23      THR  33   8.876  -6.695   2.685
  271    H    LYS  34           H        LYS  34   9.116  -4.116   0.758
  272    HA   LYS  34           HA       LYS  34  11.283  -4.041   2.704
  273   1HB   LYS  34           HB2      LYS  34  11.371  -5.251   0.561
  274   2HB   LYS  34           HB3      LYS  34  11.203  -3.743  -0.342
  275   1HG   LYS  34           HG2      LYS  34  13.394  -3.845   1.686
  276   2HG   LYS  34           HG3      LYS  34  13.573  -4.961   0.325
  277   1HD   LYS  34           HD2      LYS  34  13.448  -3.168  -1.301
  278   2HD   LYS  34           HD3      LYS  34  12.996  -1.993  -0.058
  279   1HE   LYS  34           HE2      LYS  34  15.266  -2.590   1.079
  280   2HE   LYS  34           HE3      LYS  34  15.697  -3.314  -0.483
  281   1HZ   LYS  34           HZ1      LYS  34  16.407  -1.026  -0.342
  282   2HZ   LYS  34           HZ2      LYS  34  15.174  -1.078  -1.437
  283   3HZ   LYS  34           HZ3      LYS  34  14.919  -0.514   0.081
  284    H    PHE  35           H        PHE  35   9.035  -1.802   1.585
  285    HA   PHE  35           HA       PHE  35  10.881   0.526   1.859
  286   1HB   PHE  35           HB2      PHE  35   9.237   0.076  -0.180
  287   2HB   PHE  35           HB3      PHE  35   8.044   0.634   0.952
  288    HD1  PHE  35           HD1      PHE  35  11.498   1.750  -0.111
  289    HD2  PHE  35           HD2      PHE  35   7.425   2.900   0.756
  290    HE1  PHE  35           HE1      PHE  35  12.055   4.108  -0.590
  291    HE2  PHE  35           HE2      PHE  35   7.993   5.258   0.258
  292    HZ   PHE  35           HZ       PHE  35  10.317   5.872  -0.388
  293    H    LEU  36           H        LEU  36   9.077  -1.397   3.912
  294    HA   LEU  36           HA       LEU  36   7.302   0.434   5.151
  295   1HB   LEU  36           HB2      LEU  36   8.906  -1.900   6.274
  296   2HB   LEU  36           HB3      LEU  36   7.651  -1.045   7.179
  297    HG   LEU  36           HG       LEU  36   7.106  -2.348   4.490
  298   1HD1  LEU  36          HD11      LEU  36   6.176  -4.266   5.779
  299   2HD1  LEU  36          HD12      LEU  36   7.899  -4.062   6.152
  300   3HD1  LEU  36          HD13      LEU  36   6.673  -3.493   7.298
  301   1HD2  LEU  36          HD21      LEU  36   5.464  -0.719   5.083
  302   2HD2  LEU  36          HD22      LEU  36   4.783  -2.337   5.290
  303   3HD2  LEU  36          HD23      LEU  36   5.300  -1.422   6.723
  304    H    GLU  37           H        GLU  37  10.643  -0.415   6.223
  305    HA   GLU  37           HA       GLU  37  10.747   1.731   8.120
  306   1HB   GLU  37           HB2      GLU  37  13.200   1.321   8.071
  307   2HB   GLU  37           HB3      GLU  37  12.221  -0.097   8.449
  308   1HG   GLU  37           HG2      GLU  37  13.157   0.326   5.587
  309   2HG   GLU  37           HG3      GLU  37  14.261  -0.281   6.813
  310    H    GLU  38           H        GLU  38  11.554   1.547   4.687
  311    HA   GLU  38           HA       GLU  38  12.991   4.014   4.519
  312   1HB   GLU  38           HB2      GLU  38  11.446   2.528   2.400
  313   2HB   GLU  38           HB3      GLU  38  12.681   3.725   2.103
  314   1HG   GLU  38           HG2      GLU  38  14.140   2.025   3.643
  315   2HG   GLU  38           HG3      GLU  38  13.000   0.863   2.957
  316    H    HIS  39           HN       HIS  39   9.553   3.171   4.197
  317    HA   HIS  39           HA       HIS  39   8.560   5.498   3.037
  318   1HB   HIS  39           HB2      HIS  39   7.203   3.580   3.125
  319   2HB   HIS  39           HB3      HIS  39   7.352   3.448   4.877
  320    HD1  HIS  39           HND      HIS  39   5.658   4.659   6.328
  321    HD2  HIS  39           HD       HIS  39   5.574   5.715   2.272
  322    HE1  HIS  39           HE       HIS  39   3.524   6.027   5.989
  323    HA   PRO  40           HA       PRO  40   9.441   8.086   6.660
  324   1HB   PRO  40           HB2      PRO  40   8.993  10.554   5.565
  325   2HB   PRO  40           HB3      PRO  40  10.413   9.546   5.179
  326   1HG   PRO  40           HG2      PRO  40   7.879   9.846   3.600
  327   2HG   PRO  40           HG3      PRO  40   9.553   9.876   2.986
  328   1HD   PRO  40           HD2      PRO  40   7.890   7.674   2.914
  329   2HD   PRO  40           HD3      PRO  40   9.670   7.541   3.036
  330    H    GLY  41           H        GLY  41   7.481   6.841   7.400
  331   1HA   GLY  41           HA1      GLY  41   5.427   8.693   8.367
  332   2HA   GLY  41           HA2      GLY  41   4.827   7.501   7.221
  333    H    GLY  42           H        GLY  42   6.714   5.325   8.176
  334   1HA   GLY  42           HA1      GLY  42   6.908   4.646  10.716
  335   2HA   GLY  42           HA2      GLY  42   5.142   4.520  10.531
  336    H    GLU  43           H        GLU  43   5.523   2.237  10.957
  337    HA   GLU  43           HA       GLU  43   5.966   0.666   8.464
  338   1HB   GLU  43           HB2      GLU  43   8.007   0.401   9.668
  339   2HB   GLU  43           HB3      GLU  43   7.191   0.144  11.211
  340   1HG   GLU  43           HG2      GLU  43   6.396  -1.813   9.115
  341   2HG   GLU  43           HG3      GLU  43   8.115  -1.837   9.512
  342    H    ALA  44           H        ALA  44   5.031   0.319  11.903
  343    HA   ALA  44           HA       ALA  44   3.120  -1.568  11.686
  344   1HB   ALA  44           HB1      ALA  44   2.119  -0.699  13.747
  345   2HB   ALA  44           HB2      ALA  44   3.891  -0.618  13.819
  346   3HB   ALA  44           HB3      ALA  44   2.943   0.858  13.515
  347    H    VAL  45           H        VAL  45   2.577   1.936  11.087
  348    HA   VAL  45           HA       VAL  45  -0.208   1.643  10.631
  349    HB   VAL  45           HB       VAL  45   1.092   3.792  11.053
  350   1HG1  VAL  45          HG11      VAL  45   1.333   3.846   8.016
  351   2HG1  VAL  45          HG12      VAL  45   1.805   5.103   9.168
  352   3HG1  VAL  45          HG13      VAL  45   2.695   3.573   9.137
  353   1HG2  VAL  45          HG21      VAL  45  -0.613   5.094   9.665
  354   2HG2  VAL  45          HG22      VAL  45  -1.149   3.520   9.047
  355   3HG2  VAL  45          HG23      VAL  45  -1.249   3.867  10.777
  356    H    LEU  46           H        LEU  46   2.613   1.475   8.204
  357    HA   LEU  46           HA       LEU  46   0.818   1.004   6.028
  358   1HB   LEU  46           HB2      LEU  46   3.680   0.092   6.447
  359   2HB   LEU  46           HB3      LEU  46   2.770  -0.005   4.938
  360    HG   LEU  46           HG       LEU  46   2.349   2.606   5.491
  361   1HD1  LEU  46          HD11      LEU  46   5.203   2.620   6.256
  362   2HD1  LEU  46          HD12      LEU  46   3.841   3.589   6.898
  363   3HD1  LEU  46          HD13      LEU  46   4.200   1.989   7.523
  364   1HD2  LEU  46          HD21      LEU  46   3.899   3.160   3.825
  365   2HD2  LEU  46          HD22      LEU  46   4.975   1.794   4.200
  366   3HD2  LEU  46          HD23      LEU  46   3.405   1.520   3.423
  367    H    ARG  47           H        ARG  47   2.287  -1.238   8.413
  368    HA   ARG  47           HA       ARG  47   1.551  -3.555   6.870
  369   1HB   ARG  47           HB2      ARG  47   2.650  -4.778   8.379
  370   2HB   ARG  47           HB3      ARG  47   3.354  -3.179   8.732
  371   1HG   ARG  47           HG2      ARG  47   1.678  -2.979  10.601
  372   2HG   ARG  47           HG3      ARG  47   1.142  -4.641  10.289
  373   1HD   ARG  47           HD2      ARG  47   3.248  -5.542  10.933
  374   2HD   ARG  47           HD3      ARG  47   4.027  -3.966  10.804
  375    HE   ARG  47           HE       ARG  47   1.838  -4.102  12.747
  376   1HH1  ARG  47          HH11      ARG  47   3.937  -4.227  15.562
  377   2HH1  ARG  47          HH12      ARG  47   2.295  -4.183  15.001
  378   1HH2  ARG  47          HH21      ARG  47   5.727  -4.371  13.981
  379   2HH2  ARG  47          HH22      ARG  47   5.330  -3.805  12.403
  380    H    ALA  48           H        ALA  48   0.058  -1.744   9.531
  381    HA   ALA  48           HA       ALA  48  -1.941  -3.655  10.166
  382   1HB   ALA  48           HB1      ALA  48  -1.783  -0.631  10.521
  383   2HB   ALA  48           HB2      ALA  48  -3.005  -1.670  11.306
  384   3HB   ALA  48           HB3      ALA  48  -1.275  -1.871  11.686
  385    H    GLN  49           H        GLN  49  -1.983  -0.702   8.086
  386    HA   GLN  49           HA       GLN  49  -4.646  -1.234   7.069
  387   1HB   GLN  49           HB2      GLN  49  -2.387   0.705   6.578
  388   2HB   GLN  49           HB3      GLN  49  -3.661   0.562   5.386
  389   1HG   GLN  49           HG2      GLN  49  -4.236   2.332   6.916
  390   2HG   GLN  49           HG3      GLN  49  -5.401   1.014   7.007
  391   1HE2  GLN  49          HE21      GLN  49  -3.417   3.111   8.874
  392   2HE2  GLN  49          HE22      GLN  49  -3.625   2.255  10.391
  393    H    ALA  50           H        ALA  50  -1.579  -2.630   6.382
  394    HA   ALA  50           HA       ALA  50  -1.831  -3.221   3.701
  395   1HB   ALA  50           HB1      ALA  50   0.099  -3.831   5.226
  396   2HB   ALA  50           HB2      ALA  50  -0.828  -5.280   5.677
  397   3HB   ALA  50           HB3      ALA  50  -0.343  -5.034   4.002
  398    H    GLY  51           H        GLY  51  -2.422  -5.239   2.641
  399   1HA   GLY  51           HA1      GLY  51  -3.992  -6.714   1.929
  400   2HA   GLY  51           HA2      GLY  51  -4.049  -7.274   3.609
  401    H    GLY  52           H        GLY  52  -5.053  -4.155   2.032
  402   1HA   GLY  52           HA1      GLY  52  -7.855  -4.765   2.188
  403   2HA   GLY  52           HA2      GLY  52  -7.329  -3.730   3.538
  404    H    ASP  53           H        ASP  53  -9.110  -2.641   1.908
  405    HA   ASP  53           HA       ASP  53  -7.845  -0.765   0.057
  406   1HB   ASP  53           HB2      ASP  53 -10.237  -1.082  -0.174
  407   2HB   ASP  53           HB3      ASP  53 -10.493  -0.724   1.549
  408    H    ALA  54           H        ALA  54  -6.474   0.710   0.716
  409    HA   ALA  54           HA       ALA  54  -6.798   1.932   3.438
  410   1HB   ALA  54           HB1      ALA  54  -4.859   0.453   3.521
  411   2HB   ALA  54           HB2      ALA  54  -4.178   1.206   2.075
  412   3HB   ALA  54           HB3      ALA  54  -4.355   2.165   3.566
  413    H    THR  55           H        THR  55  -7.687   2.463   0.493
  414    HA   THR  55           HA       THR  55  -6.233   4.696  -0.442
  415    HB   THR  55           HB       THR  55  -9.246   4.220  -0.708
  416    HG1  THR  55           HG1      THR  55  -8.252   2.388  -1.359
  417   1HG2  THR  55          HG21      THR  55  -8.835   5.365  -2.902
  418   2HG2  THR  55          HG22      THR  55  -8.456   6.424  -1.530
  419   3HG2  THR  55          HG23      THR  55  -7.141   5.616  -2.407
  420    H    ALA  56           H        ALA  56  -9.039   4.442   1.747
  421    HA   ALA  56           HA       ALA  56  -9.404   7.194   2.245
  422   1HB   ALA  56           HB1      ALA  56  -9.943   4.813   4.077
  423   2HB   ALA  56           HB2      ALA  56 -10.637   6.443   4.243
  424   3HB   ALA  56           HB3      ALA  56 -11.041   5.448   2.830
  425    H    ASN  57           H        ASN  57  -7.203   4.843   3.838
  426    HA   ASN  57           HA       ASN  57  -6.393   6.676   5.923
  427   1HB   ASN  57           HB2      ASN  57  -4.972   4.220   4.820
  428   2HB   ASN  57           HB3      ASN  57  -4.589   5.061   6.325
  429   1HD2  ASN  57          HD21      ASN  57  -6.249   5.043   8.089
  430   2HD2  ASN  57          HD22      ASN  57  -7.389   3.710   8.115
  431    H    PHE  58           H        PHE  58  -4.925   5.575   2.865
  432    HA   PHE  58           HA       PHE  58  -2.631   7.187   2.782
  433   1HB   PHE  58           HB2      PHE  58  -3.135   5.420   1.192
  434   2HB   PHE  58           HB3      PHE  58  -4.470   6.333   0.514
  435    HD1  PHE  58           HD1      PHE  58  -0.963   5.645   0.232
  436    HD2  PHE  58           HD2      PHE  58  -4.017   8.523  -0.732
  437    HE1  PHE  58           HE1      PHE  58   0.402   6.474  -1.668
  438    HE2  PHE  58           HE2      PHE  58  -2.583   9.464  -2.491
  439    HZ   PHE  58           HZ       PHE  58  -0.361   8.423  -2.989
  440    H    GLU  59           H        GLU  59  -5.927   8.030   1.479
  441    HA   GLU  59           HA       GLU  59  -5.040  10.643   0.749
  442   1HB   GLU  59           HB2      GLU  59  -7.265  11.071   0.037
  443   2HB   GLU  59           HB3      GLU  59  -6.727   9.465  -0.461
  444   1HG   GLU  59           HG2      GLU  59  -8.756   8.804   0.250
  445   2HG   GLU  59           HG3      GLU  59  -7.985   8.809   1.834
  446    H    ALA  60           H        ALA  60  -6.898   9.426   3.557
  447    HA   ALA  60           HA       ALA  60  -7.444  11.793   4.874
  448   1HB   ALA  60           HB1      ALA  60  -7.184  10.488   7.004
  449   2HB   ALA  60           HB2      ALA  60  -8.187   9.682   5.789
  450   3HB   ALA  60           HB3      ALA  60  -6.513   9.143   6.064
  451    H    VAL  61           H        VAL  61  -4.324   9.991   4.896
  452    HA   VAL  61           HA       VAL  61  -3.028  12.512   5.895
  453    HB   VAL  61           HB       VAL  61  -1.791   9.760   6.104
  454   1HG1  VAL  61          HG11      VAL  61  -0.490  10.950   7.864
  455   2HG1  VAL  61          HG12      VAL  61  -0.308  11.763   6.304
  456   3HG1  VAL  61          HG13      VAL  61  -1.382  12.438   7.545
  457   1HG2  VAL  61          HG21      VAL  61  -3.852   9.604   7.417
  458   2HG2  VAL  61          HG22      VAL  61  -2.497   9.850   8.521
  459   3HG2  VAL  61          HG23      VAL  61  -3.565  11.211   8.123
  460    H    GLY  62           H        GLY  62  -3.845  12.590   3.382
  461   1HA   GLY  62           HA1      GLY  62  -2.260  11.645   1.352
  462   2HA   GLY  62           HA2      GLY  62  -3.078  13.217   1.330
  463    H    HIS  63           HN       HIS  63  -0.422  12.164   0.379
  464    HA   HIS  63           HA       HIS  63   1.539  13.480   2.088
  465   1HB   HIS  63           HB2      HIS  63   2.090  11.687  -0.267
  466   2HB   HIS  63           HB3      HIS  63   3.016  11.918   1.199
  467    HD1  HIS  63           HND      HIS  63   0.545   9.722  -0.456
  468    HD2  HIS  63           HD       HIS  63   2.291  10.541   3.228
  469    HE1  HIS  63           HE       HIS  63   0.925   7.523   0.634
  470    H    SER  64           H        SER  64   1.942  13.069  -1.480
  471    HA   SER  64           HA       SER  64   1.449  15.720  -2.203
  472   1HB   SER  64           HB2      SER  64   3.622  16.108  -0.894
  473   2HB   SER  64           HB3      SER  64   4.437  15.092  -2.097
  474    HG   SER  64           HG       SER  64   4.303  17.490  -2.444
  475    H    THR  65           H        THR  65   2.990  15.958  -4.386
  476    HA   THR  65           HA       THR  65   1.897  14.111  -6.329
  477    HB   THR  65           HB       THR  65   3.524  15.413  -7.803
  478    HG1  THR  65           HG1      THR  65   4.627  17.113  -6.749
  479   1HG2  THR  65          HG21      THR  65   2.327  17.542  -7.626
  480   2HG2  THR  65          HG22      THR  65   1.175  16.227  -7.328
  481   3HG2  THR  65          HG23      THR  65   1.815  17.175  -5.969
  482    H    ASP  66           H        ASP  66   5.166  14.748  -5.158
  483    HA   ASP  66           HA       ASP  66   6.630  12.772  -6.313
  484   1HB   ASP  66           HB2      ASP  66   7.085  14.555  -4.266
  485   2HB   ASP  66           HB3      ASP  66   7.097  13.049  -3.344
  486    H    ALA  67           H        ALA  67   4.654  12.315  -3.387
  487    HA   ALA  67           HA       ALA  67   5.214   9.523  -3.048
  488   1HB   ALA  67           HB1      ALA  67   3.320   9.505  -1.533
  489   2HB   ALA  67           HB2      ALA  67   4.238  11.009  -1.281
  490   3HB   ALA  67           HB3      ALA  67   2.722  11.025  -2.219
  491    H    ARG  68           H        ARG  68   2.574  11.300  -4.747
  492    HA   ARG  68           HA       ARG  68   0.937   9.098  -5.489
  493   1HB   ARG  68           HB2      ARG  68   1.251  11.922  -6.323
  494   2HB   ARG  68           HB3      ARG  68   0.836  10.871  -7.657
  495   1HG   ARG  68           HG2      ARG  68  -1.143  11.763  -6.820
  496   2HG   ARG  68           HG3      ARG  68  -1.150  10.044  -6.397
  497   1HD   ARG  68           HD2      ARG  68  -0.674  10.544  -4.086
  498   2HD   ARG  68           HD3      ARG  68  -0.189  12.206  -4.491
  499    HE   ARG  68           HE       ARG  68  -2.924  11.720  -5.243
  500   1HH1  ARG  68          HH11      ARG  68  -4.223  13.615  -2.565
  501   2HH1  ARG  68          HH12      ARG  68  -4.538  12.987  -4.146
  502   1HH2  ARG  68          HH21      ARG  68  -2.085  13.298  -1.581
  503   2HH2  ARG  68          HH22      ARG  68  -0.892  12.381  -2.458
  504    H    GLU  69           H        GLU  69   3.888  10.507  -6.909
  505    HA   GLU  69           HA       GLU  69   3.827   8.855  -9.330
  506   1HB   GLU  69           HB2      GLU  69   5.529  10.979  -8.139
  507   2HB   GLU  69           HB3      GLU  69   6.309   9.930  -9.312
  508   1HG   GLU  69           HG2      GLU  69   3.613  11.206  -9.930
  509   2HG   GLU  69           HG3      GLU  69   5.125  12.094 -10.148
  510    H    LEU  70           H        LEU  70   5.684   8.973  -6.311
  511    HA   LEU  70           HA       LEU  70   7.371   6.845  -6.758
  512   1HB   LEU  70           HB2      LEU  70   7.551   8.494  -4.954
  513   2HB   LEU  70           HB3      LEU  70   6.127   7.789  -4.189
  514    HG   LEU  70           HG       LEU  70   7.244   6.175  -3.146
  515   1HD1  LEU  70          HD11      LEU  70   9.291   5.047  -4.113
  516   2HD1  LEU  70          HD12      LEU  70   7.722   4.874  -4.918
  517   3HD1  LEU  70          HD13      LEU  70   8.962   5.968  -5.599
  518   1HD2  LEU  70          HD21      LEU  70   9.602   7.963  -3.845
  519   2HD2  LEU  70          HD22      LEU  70   8.459   8.209  -2.501
  520   3HD2  LEU  70          HD23      LEU  70   9.531   6.795  -2.511
  521    H    SER  71           H        SER  71   4.256   6.784  -5.067
  522    HA   SER  71           HA       SER  71   3.893   4.062  -4.752
  523   1HB   SER  71           HB2      SER  71   1.518   4.376  -4.723
  524   2HB   SER  71           HB3      SER  71   2.314   5.726  -3.910
  525    HG   SER  71           HG       SER  71   1.246   5.780  -6.540
  526    H    LYS  72           H        LYS  72   3.197   5.847  -7.865
  527    HA   LYS  72           HA       LYS  72   2.396   3.536  -9.283
  528   1HB   LYS  72           HB2      LYS  72   3.822   6.031 -10.299
  529   2HB   LYS  72           HB3      LYS  72   3.380   4.671 -11.302
  530   1HG   LYS  72           HG2      LYS  72   0.976   5.122 -10.038
  531   2HG   LYS  72           HG3      LYS  72   1.652   6.765 -10.093
  532   1HD   LYS  72           HD2      LYS  72   2.119   6.459 -12.533
  533   2HD   LYS  72           HD3      LYS  72   1.459   4.810 -12.439
  534   1HE   LYS  72           HE2      LYS  72  -0.748   5.862 -11.665
  535   2HE   LYS  72           HE3      LYS  72  -0.051   7.432 -12.113
  536   1HZ   LYS  72           HZ1      LYS  72  -0.449   5.126 -13.915
  537   2HZ   LYS  72           HZ2      LYS  72  -1.344   6.504 -13.904
  538   3HZ   LYS  72           HZ3      LYS  72   0.238   6.555 -14.353
  539    H    THR  73           H        THR  73   5.712   4.650  -8.532
  540    HA   THR  73           HA       THR  73   7.028   2.668 -10.157
  541    HB   THR  73           HB       THR  73   7.866   4.610  -8.033
  542    HG1  THR  73           HG1      THR  73   9.253   5.157  -9.685
  543   1HG2  THR  73          HG21      THR  73  10.156   3.748  -7.999
  544   2HG2  THR  73          HG22      THR  73   9.031   2.651  -7.195
  545   3HG2  THR  73          HG23      THR  73   9.624   2.271  -8.832
  546    H    PHE  74           H        PHE  74   5.501   2.509  -7.049
  547    HA   PHE  74           HA       PHE  74   6.500  -0.277  -6.601
  548   1HB   PHE  74           HB2      PHE  74   4.808   1.570  -4.880
  549   2HB   PHE  74           HB3      PHE  74   5.165  -0.105  -4.481
  550    HD1  PHE  74           HD1      PHE  74   7.730  -0.802  -4.629
  551    HD2  PHE  74           HD2      PHE  74   6.191   3.123  -3.710
  552    HE1  PHE  74           HE1      PHE  74   9.884  -0.205  -3.559
  553    HE2  PHE  74           HE2      PHE  74   8.290   3.642  -2.488
  554    HZ   PHE  74           HZ       PHE  74  10.178   2.037  -2.535
  555    H    ILE  75           H        ILE  75   4.159   1.020  -8.569
  556    HA   ILE  75           HA       ILE  75   1.875  -0.469  -7.701
  557    HB   ILE  75           HB       ILE  75   2.159   1.459  -9.451
  558   1HG1  ILE  75          HG12      ILE  75  -0.012  -0.625  -9.409
  559   2HG1  ILE  75          HG13      ILE  75   0.163   0.835  -8.414
  560   1HG2  ILE  75          HG21      ILE  75   1.828  -0.917 -11.315
  561   2HG2  ILE  75          HG22      ILE  75   1.862   0.803 -11.752
  562   3HG2  ILE  75          HG23      ILE  75   3.331   0.032 -11.169
  563   1HD1  ILE  75          HD11      ILE  75  -1.378   1.429 -10.066
  564   2HD1  ILE  75          HD12      ILE  75   0.151   2.196 -10.532
  565   3HD1  ILE  75          HD13      ILE  75  -0.417   0.718 -11.367
  566    H    ILE  76           H        ILE  76   1.395  -2.634  -7.909
  567    HA   ILE  76           HA       ILE  76   3.159  -4.291  -9.707
  568    HB   ILE  76           HB       ILE  76   2.131  -6.202  -8.396
  569   1HG1  ILE  76          HG12      ILE  76   1.583  -4.036  -6.313
  570   2HG1  ILE  76          HG13      ILE  76   0.327  -4.688  -7.364
  571   1HG2  ILE  76          HG21      ILE  76   3.878  -5.977  -6.684
  572   2HG2  ILE  76          HG22      ILE  76   4.470  -5.357  -8.216
  573   3HG2  ILE  76          HG23      ILE  76   3.953  -4.219  -6.960
  574   1HD1  ILE  76          HD11      ILE  76   0.197  -6.638  -6.230
  575   2HD1  ILE  76          HD12      ILE  76   1.939  -6.736  -5.922
  576   3HD1  ILE  76          HD13      ILE  76   0.930  -5.682  -4.923
  577    H    GLY  77           H        GLY  77  -0.001  -2.904  -9.448
  578   1HA   GLY  77           HA1      GLY  77  -0.891  -3.423 -11.970
  579   2HA   GLY  77           HA2      GLY  77  -1.321  -4.897 -11.077
  580    H    GLU  78           H        GLU  78  -3.485  -4.550 -11.124
  581    HA   GLU  78           HA       GLU  78  -4.526  -2.234  -9.603
  582   1HB   GLU  78           HB2      GLU  78  -5.191  -3.068 -12.439
  583   2HB   GLU  78           HB3      GLU  78  -6.465  -2.532 -11.380
  584   1HG   GLU  78           HG2      GLU  78  -4.578  -0.572 -10.966
  585   2HG   GLU  78           HG3      GLU  78  -4.265  -0.983 -12.645
  586    H    LEU  79           H        LEU  79  -6.727  -2.425  -9.016
  587    HA   LEU  79           HA       LEU  79  -7.291  -4.802  -7.529
  588   1HB   LEU  79           HB2      LEU  79  -8.109  -2.486  -7.045
  589   2HB   LEU  79           HB3      LEU  79  -9.009  -2.513  -8.565
  590    HG   LEU  79           HG       LEU  79 -10.256  -4.568  -7.627
  591   1HD1  LEU  79          HD11      LEU  79 -10.049  -3.954  -4.876
  592   2HD1  LEU  79          HD12      LEU  79  -9.491  -5.432  -5.690
  593   3HD1  LEU  79          HD13      LEU  79  -8.377  -4.077  -5.435
  594   1HD2  LEU  79          HD21      LEU  79 -11.800  -3.134  -6.438
  595   2HD2  LEU  79          HD22      LEU  79 -10.550  -1.871  -6.291
  596   3HD2  LEU  79          HD23      LEU  79 -11.161  -2.371  -7.893
  597    H    HIS  80           H        HIS  80  -8.390  -6.636  -8.184
  598    HA   HIS  80           HA       HIS  80  -8.838  -7.272 -10.885
  599   1HB   HIS  80           HB2      HIS  80  -8.694  -8.750  -8.779
  600   2HB   HIS  80           HB3      HIS  80 -10.439  -8.538  -8.654
  601    HD1  HIS  80           HD1      HIS  80 -11.759 -10.232 -10.230
  602    HD2  HIS  80           HD2      HIS  80  -7.623 -10.018 -10.896
  603    HE1  HIS  80           HE1      HIS  80 -11.212 -12.068 -11.886
  604    HA   PRO  81           HA       PRO  81 -12.687  -5.231 -11.828
  605   1HB   PRO  81           HB2      PRO  81 -13.527  -6.681 -13.999
  606   2HB   PRO  81           HB3      PRO  81 -12.208  -5.478 -14.041
  607   1HG   PRO  81           HG2      PRO  81 -11.955  -8.483 -13.739
  608   2HG   PRO  81           HG3      PRO  81 -11.039  -7.411 -14.845
  609   1HD   PRO  81           HD2      PRO  81 -10.028  -8.253 -12.516
  610   2HD   PRO  81           HD3      PRO  81  -9.723  -6.582 -13.067
  611    H    ASP  82           H        ASP  82 -12.448  -8.463 -10.670
  612    HA   ASP  82           HA       ASP  82 -15.327  -8.964 -10.571
  613   1HB   ASP  82           HB2      ASP  82 -13.550 -10.758 -10.757
  614   2HB   ASP  82           HB3      ASP  82 -13.175 -10.432  -9.023
  615    H    ASP  83           H        ASP  83 -12.894  -7.363  -8.577
  616    HA   ASP  83           HA       ASP  83 -14.277  -7.560  -6.037
  617   1HB   ASP  83           HB2      ASP  83 -11.887  -7.326  -6.117
  618   2HB   ASP  83           HB3      ASP  83 -12.014  -5.868  -7.123
  619    H    ARG  84           H        ARG  84 -13.730  -4.996  -8.428
  620    HA   ARG  84           HA       ARG  84 -15.218  -3.042  -6.997
  621   1HB   ARG  84           HB2      ARG  84 -14.691  -1.564  -8.787
  622   2HB   ARG  84           HB3      ARG  84 -13.292  -2.621  -8.544
  623   1HG   ARG  84           HG2      ARG  84 -14.231  -4.072 -10.468
  624   2HG   ARG  84           HG3      ARG  84 -15.422  -2.800 -10.705
  625   1HD   ARG  84           HD2      ARG  84 -13.875  -2.264 -12.266
  626   2HD   ARG  84           HD3      ARG  84 -13.448  -1.160 -10.938
  627    HE   ARG  84           HE       ARG  84 -11.842  -3.396 -10.529
  628   1HH1  ARG  84          HH11      ARG  84  -9.239  -2.719 -12.871
  629   2HH1  ARG  84          HH12      ARG  84  -9.678  -3.677 -11.507
  630   1HH2  ARG  84          HH21      ARG  84 -10.802  -1.336 -13.900
  631   2HH2  ARG  84          HH22      ARG  84 -12.360  -1.098 -13.159
  632    HHA  HEM 201           HGM      HEM 201   4.850  10.904   5.139
  633    HHB  HEM 201           HDM      HEM 201   5.504   7.948  -0.581
  634    HHC  HEM 201           HAM      HEM 201   0.798   3.899   1.007
  635    HHD  HEM 201           HBM      HEM 201   0.144   6.815   6.742
  636   1HMA  HEM 201          HM81      HEM 201   6.378  10.039  -0.721
  637   2HMA  HEM 201          HM82      HEM 201   6.891  11.405   0.256
  638   3HMA  HEM 201          HM83      HEM 201   7.748   9.856   0.391
  639   1HAA  HEM 201          HAA1      HEM 201   6.651  11.757   3.962
  640   2HAA  HEM 201          HAA2      HEM 201   6.923  12.266   2.312
  641   1HBA  HEM 201          HBA1      HEM 201   4.104  12.453   3.414
  642   2HBA  HEM 201          HBA2      HEM 201   4.888  13.416   2.162
  643   1HMB  HEM 201          HM11      HEM 201   4.605   6.525  -2.650
  644   2HMB  HEM 201          HM12      HEM 201   5.729   5.489  -1.725
  645   3HMB  HEM 201          HM13      HEM 201   4.372   4.761  -2.580
  646    HAB  HEM 201          HT2A      HEM 201   1.854   3.914  -2.140
  647   1HBB  HEM 201          HV2C      HEM 201   2.503   2.316   0.320
  648   2HBB  HEM 201          HV2T      HEM 201   1.442   1.870  -1.155
  649   1HMC  HEM 201          HM31      HEM 201  -0.496   2.482   2.686
  650   2HMC  HEM 201          HM32      HEM 201  -1.882   3.024   3.655
  651   3HMC  HEM 201          HM33      HEM 201  -1.635   3.679   2.032
  652    HAC  HEM 201          HT4A      HEM 201  -2.192   5.489   5.982
  653   1HBC  HEM 201          HV4C      HEM 201  -0.656   2.829   6.041
  654   2HBC  HEM 201          HV4T      HEM 201  -2.161   3.289   7.035
  655   1HMD  HEM 201          HM51      HEM 201   1.357   7.530   8.725
  656   2HMD  HEM 201          HM52      HEM 201   1.915   9.124   9.220
  657   3HMD  HEM 201          HM53      HEM 201   0.338   8.954   8.435
  658   1HAD  HEM 201          HAD1      HEM 201   3.889  10.221   8.614
  659   2HAD  HEM 201          HAD2      HEM 201   4.475  11.155   7.263
  660   1HBD  HEM 201          HBD1      HEM 201   3.098  12.801   7.879
  661   2HBD  HEM 201          HBD2      HEM 201   1.719  11.784   7.465
  Start of MODEL   33
    1   1H    ALA   3           H1       ALA   3  -0.783  -8.993 -19.232
    2   2H    ALA   3           H2       ALA   3  -2.129  -9.591 -19.958
    3   3H    ALA   3           H3       ALA   3  -1.075  -8.651 -20.841
    4    HA   ALA   3           HA       ALA   3  -1.854  -6.737 -20.019
    5   1HB   ALA   3           HB1      ALA   3  -3.989  -7.836 -20.597
    6   2HB   ALA   3           HB2      ALA   3  -4.039  -8.632 -19.008
    7   3HB   ALA   3           HB3      ALA   3  -4.198  -6.869 -19.126
    8    H    VAL   4           H        VAL   4  -2.740  -5.653 -17.766
    9    HA   VAL   4           HA       VAL   4  -0.712  -6.062 -15.820
   10    HB   VAL   4           HB       VAL   4  -3.442  -4.788 -15.740
   11   1HG1  VAL   4          HG11      VAL   4  -3.107  -5.409 -13.450
   12   2HG1  VAL   4          HG12      VAL   4  -1.401  -4.909 -13.510
   13   3HG1  VAL   4          HG13      VAL   4  -2.701  -3.695 -13.592
   14   1HG2  VAL   4          HG21      VAL   4  -2.249  -2.695 -15.837
   15   2HG2  VAL   4          HG22      VAL   4  -0.698  -3.483 -15.491
   16   3HG2  VAL   4          HG23      VAL   4  -1.484  -3.723 -17.063
   17    H    LYS   5           H        LYS   5  -0.588  -7.384 -14.112
   18    HA   LYS   5           HA       LYS   5  -2.435  -9.680 -14.034
   19   1HB   LYS   5           HB2      LYS   5   0.061  -9.917 -13.960
   20   2HB   LYS   5           HB3      LYS   5   0.047  -9.233 -12.325
   21   1HG   LYS   5           HG2      LYS   5  -1.441 -11.071 -11.567
   22   2HG   LYS   5           HG3      LYS   5  -1.559 -11.666 -13.237
   23   1HD   LYS   5           HD2      LYS   5   1.013 -11.856 -13.196
   24   2HD   LYS   5           HD3      LYS   5   0.916 -11.684 -11.446
   25   1HE   LYS   5           HE2      LYS   5  -0.528 -13.825 -13.119
   26   2HE   LYS   5           HE3      LYS   5   1.047 -14.058 -12.359
   27   1HZ   LYS   5           HZ1      LYS   5  -0.665 -14.964 -11.011
   28   2HZ   LYS   5           HZ2      LYS   5   0.006 -13.695 -10.217
   29   3HZ   LYS   5           HZ3      LYS   5  -1.475 -13.537 -10.924
   30    H    TYR   6           H        TYR   6  -4.219  -8.290 -13.439
   31    HA   TYR   6           HA       TYR   6  -4.389  -6.796 -11.101
   32   1HB   TYR   6           HB2      TYR   6  -6.656  -8.528 -12.137
   33   2HB   TYR   6           HB3      TYR   6  -6.728  -7.000 -11.240
   34    HD1  TYR   6           HD1      TYR   6  -5.922  -4.921 -12.319
   35    HD2  TYR   6           HD2      TYR   6  -6.701  -8.499 -14.538
   36    HE1  TYR   6           HE1      TYR   6  -5.914  -3.589 -14.447
   37    HE2  TYR   6           HE2      TYR   6  -6.748  -7.191 -16.648
   38    HH   TYR   6           HH       TYR   6  -6.146  -3.666 -16.709
   39    H    TYR   7           H        TYR   7  -5.264  -7.219  -8.963
   40    HA   TYR   7           HA       TYR   7  -5.041 -10.072  -8.072
   41   1HB   TYR   7           HB2      TYR   7  -4.098  -7.686  -6.486
   42   2HB   TYR   7           HB3      TYR   7  -3.863  -9.390  -6.135
   43    HD1  TYR   7           HD1      TYR   7  -2.401  -6.459  -7.539
   44    HD2  TYR   7           HD2      TYR   7  -2.476 -10.742  -7.997
   45    HE1  TYR   7           HE1      TYR   7  -0.203  -6.377  -8.652
   46    HE2  TYR   7           HE2      TYR   7  -0.259 -10.653  -9.105
   47    HH   TYR   7           HH       TYR   7   1.439  -9.283  -9.897
   48    H    THR   8           H        THR   8  -6.649 -10.756  -6.710
   49    HA   THR   8           HA       THR   8  -8.986  -9.056  -6.267
   50    HB   THR   8           HB       THR   8  -9.695 -11.262  -5.098
   51    HG1  THR   8           HG1      THR   8  -7.416 -11.855  -4.844
   52   1HG2  THR   8          HG21      THR   8 -10.347 -10.827  -7.444
   53   2HG2  THR   8          HG22      THR   8  -8.778 -11.487  -7.994
   54   3HG2  THR   8          HG23      THR   8  -9.955 -12.533  -7.185
   55    H    LEU   9           H        LEU   9  -9.815  -8.560  -4.149
   56    HA   LEU   9           HA       LEU   9  -8.089  -7.559  -2.270
   57   1HB   LEU   9           HB2      LEU   9 -10.815  -7.773  -2.563
   58   2HB   LEU   9           HB3      LEU   9 -10.600  -8.709  -1.134
   59    HG   LEU   9           HG       LEU   9  -9.447  -5.906  -1.547
   60   1HD1  LEU   9          HD11      LEU   9 -11.775  -6.241   0.290
   61   2HD1  LEU   9          HD12      LEU   9 -11.267  -4.872  -0.720
   62   3HD1  LEU   9          HD13      LEU   9 -12.105  -6.246  -1.448
   63   1HD2  LEU   9          HD21      LEU   9  -8.251  -7.068   0.235
   64   2HD2  LEU   9          HD22      LEU   9  -9.344  -5.890   0.981
   65   3HD2  LEU   9          HD23      LEU   9  -9.779  -7.610   0.963
   66    H    GLU  10           H        GLU  10  -9.538 -10.819  -2.301
   67    HA   GLU  10           HA       GLU  10  -8.539 -11.850   0.049
   68   1HB   GLU  10           HB2      GLU  10 -10.101 -12.921  -1.655
   69   2HB   GLU  10           HB3      GLU  10  -8.665 -13.434  -2.537
   70   1HG   GLU  10           HG2      GLU  10  -9.317 -15.261  -1.125
   71   2HG   GLU  10           HG3      GLU  10  -7.843 -14.581  -0.433
   72    H    GLU  11           H        GLU  11  -6.936 -12.347  -3.133
   73    HA   GLU  11           HA       GLU  11  -4.562 -13.366  -2.170
   74   1HB   GLU  11           HB2      GLU  11  -5.444 -12.196  -4.733
   75   2HB   GLU  11           HB3      GLU  11  -3.776 -11.803  -4.377
   76   1HG   GLU  11           HG2      GLU  11  -3.797 -13.824  -5.645
   77   2HG   GLU  11           HG3      GLU  11  -3.281 -14.225  -4.005
   78    H    ILE  12           H        ILE  12  -5.334  -9.913  -2.695
   79    HA   ILE  12           HA       ILE  12  -2.801  -8.913  -1.842
   80    HB   ILE  12           HB       ILE  12  -5.550  -7.648  -1.637
   81   1HG1  ILE  12          HG12      ILE  12  -3.525  -7.263  -3.896
   82   2HG1  ILE  12          HG13      ILE  12  -4.779  -8.470  -3.999
   83   1HG2  ILE  12          HG21      ILE  12  -3.493  -6.496  -0.423
   84   2HG2  ILE  12          HG22      ILE  12  -3.036  -6.050  -2.074
   85   3HG2  ILE  12          HG23      ILE  12  -4.590  -5.539  -1.428
   86   1HD1  ILE  12          HD11      ILE  12  -6.513  -6.748  -3.668
   87   2HD1  ILE  12          HD12      ILE  12  -5.244  -5.497  -3.699
   88   3HD1  ILE  12          HD13      ILE  12  -5.553  -6.503  -5.120
   89    H    GLN  13           H        GLN  13  -5.716  -9.881  -0.055
   90    HA   GLN  13           HA       GLN  13  -4.904  -9.102   2.548
   91   1HB   GLN  13           HB2      GLN  13  -7.220 -10.382   1.340
   92   2HB   GLN  13           HB3      GLN  13  -6.756 -11.262   2.768
   93   1HG   GLN  13           HG2      GLN  13  -7.125  -8.239   2.686
   94   2HG   GLN  13           HG3      GLN  13  -8.410  -9.382   3.094
   95   1HE2  GLN  13          HE21      GLN  13  -6.669  -7.258   4.710
   96   2HE2  GLN  13          HE22      GLN  13  -6.233  -8.187   6.132
   97    H    LYS  14           H        LYS  14  -4.179 -12.003   0.620
   98    HA   LYS  14           HA       LYS  14  -3.327 -13.630   2.828
   99   1HB   LYS  14           HB2      LYS  14  -2.352 -13.596  -0.057
  100   2HB   LYS  14           HB3      LYS  14  -1.941 -14.808   1.148
  101   1HG   LYS  14           HG2      LYS  14  -4.276 -15.458   1.391
  102   2HG   LYS  14           HG3      LYS  14  -4.785 -14.212   0.242
  103   1HD   LYS  14           HD2      LYS  14  -3.495 -15.206  -1.562
  104   2HD   LYS  14           HD3      LYS  14  -2.809 -16.426  -0.499
  105   1HE   LYS  14           HE2      LYS  14  -5.803 -16.112  -1.101
  106   2HE   LYS  14           HE3      LYS  14  -4.715 -17.179  -1.998
  107   1HZ   LYS  14           HZ1      LYS  14  -4.238 -18.272   0.140
  108   2HZ   LYS  14           HZ2      LYS  14  -5.441 -17.380   0.838
  109   3HZ   LYS  14           HZ3      LYS  14  -5.794 -18.433  -0.375
  110    H    HIS  15           H        HIS  15  -1.969 -10.714   1.510
  111    HA   HIS  15           HA       HIS  15   0.760 -11.283   2.493
  112   1HB   HIS  15           HB2      HIS  15  -0.389  -8.772   1.180
  113   2HB   HIS  15           HB3      HIS  15   1.281  -9.107   1.571
  114    HD1  HIS  15           HD1      HIS  15   2.230  -9.074  -0.818
  115    HD2  HIS  15           HD2      HIS  15  -0.869 -11.849  -0.261
  116    HE1  HIS  15           HE1      HIS  15   2.278 -10.681  -2.803
  117    H    ASN  16           H        ASN  16   0.817  -8.304   3.381
  118    HA   ASN  16           HA       ASN  16   0.695  -7.154   5.288
  119   1HB   ASN  16           HB2      ASN  16  -1.494  -6.703   6.253
  120   2HB   ASN  16           HB3      ASN  16  -1.555  -6.681   4.477
  121   1HD2  ASN  16          HD21      ASN  16  -2.588  -8.468   3.367
  122   2HD2  ASN  16          HD22      ASN  16  -3.647  -9.544   4.265
  123    H    ASN  17           H        ASN  17   1.753  -9.743   5.617
  124    HA   ASN  17           HA       ASN  17   1.321 -10.253   8.501
  125   1HB   ASN  17           HB2      ASN  17   0.190 -12.044   6.361
  126   2HB   ASN  17           HB3      ASN  17   0.927 -12.803   7.760
  127   1HD2  ASN  17          HD21      ASN  17  -1.995 -12.484   6.827
  128   2HD2  ASN  17          HD22      ASN  17  -2.777 -12.066   8.339
  129    H    SER  18           H        SER  18   3.434  -9.610   8.633
  130    HA   SER  18           HA       SER  18   5.711  -9.840   8.590
  131   1HB   SER  18           HB2      SER  18   4.660 -12.558   9.457
  132   2HB   SER  18           HB3      SER  18   6.337 -12.021   9.674
  133    HG   SER  18           HG       SER  18   5.247 -11.420  11.512
  134    H    LYS  19           H        LYS  19   5.140  -9.772   6.054
  135    HA   LYS  19           HA       LYS  19   7.285 -11.173   4.791
  136   1HB   LYS  19           HB2      LYS  19   4.547 -12.319   4.622
  137   2HB   LYS  19           HB3      LYS  19   5.202 -11.928   3.028
  138   1HG   LYS  19           HG2      LYS  19   7.249 -13.183   3.520
  139   2HG   LYS  19           HG3      LYS  19   6.535 -13.701   5.056
  140   1HD   LYS  19           HD2      LYS  19   4.460 -14.203   3.304
  141   2HD   LYS  19           HD3      LYS  19   5.824 -14.466   2.221
  142   1HE   LYS  19           HE2      LYS  19   6.488 -16.400   3.317
  143   2HE   LYS  19           HE3      LYS  19   5.983 -15.825   4.912
  144   1HZ   LYS  19           HZ1      LYS  19   4.082 -16.663   2.841
  145   2HZ   LYS  19           HZ2      LYS  19   4.598 -17.607   4.088
  146   3HZ   LYS  19           HZ3      LYS  19   3.748 -16.235   4.395
  147    H    SER  20           H        SER  20   4.195 -10.190   3.285
  148    HA   SER  20           HA       SER  20   5.546  -7.828   2.215
  149   1HB   SER  20           HB2      SER  20   4.002  -8.363   0.201
  150   2HB   SER  20           HB3      SER  20   5.413  -9.399   0.471
  151    HG   SER  20           HG       SER  20   3.614 -10.735   0.211
  152    H    THR  21           H        THR  21   4.323  -6.035   1.643
  153    HA   THR  21           HA       THR  21   1.831  -5.711   3.279
  154    HB   THR  21           HB       THR  21   4.241  -3.885   3.067
  155    HG1  THR  21           HG1      THR  21   4.368  -5.625   4.551
  156   1HG2  THR  21          HG21      THR  21   2.949  -2.151   3.640
  157   2HG2  THR  21          HG22      THR  21   1.508  -3.151   3.431
  158   3HG2  THR  21          HG23      THR  21   2.310  -3.068   5.015
  159    H    TRP  22           H        TRP  22   0.499  -5.970   1.602
  160    HA   TRP  22           HA       TRP  22   0.712  -4.184  -0.760
  161   1HB   TRP  22           HB2      TRP  22  -0.744  -6.830  -0.345
  162   2HB   TRP  22           HB3      TRP  22  -0.941  -5.751  -1.718
  163    HD1  TRP  22           HD1      TRP  22   2.640  -6.122  -0.726
  164    HE1  TRP  22           HE1      TRP  22   3.882  -7.216  -2.540
  165    HE3  TRP  22           HE3      TRP  22  -1.380  -7.865  -3.329
  166    HZ2  TRP  22           HZ2      TRP  22   3.217  -8.867  -4.947
  167    HZ3  TRP  22           HZ3      TRP  22  -1.071  -9.343  -5.257
  168    HH2  TRP  22           HH2      TRP  22   1.232  -9.778  -6.159
  169    H    LEU  23           H        LEU  23  -1.514  -3.461  -1.464
  170    HA   LEU  23           HA       LEU  23  -3.678  -3.311   0.318
  171   1HB   LEU  23           HB2      LEU  23  -3.367  -0.829   0.928
  172   2HB   LEU  23           HB3      LEU  23  -2.538  -2.049   1.833
  173    HG   LEU  23           HG       LEU  23  -0.491  -1.548   0.167
  174   1HD1  LEU  23          HD11      LEU  23  -2.133   0.978   0.139
  175   2HD1  LEU  23          HD12      LEU  23  -0.468   0.854  -0.438
  176   3HD1  LEU  23          HD13      LEU  23  -1.756  -0.014  -1.295
  177   1HD2  LEU  23          HD21      LEU  23  -0.242  -1.270   2.488
  178   2HD2  LEU  23          HD22      LEU  23   0.142   0.314   1.795
  179   3HD2  LEU  23          HD23      LEU  23  -1.444   0.038   2.556
  180    H    ILE  24           H        ILE  24  -5.070  -1.283  -0.405
  181    HA   ILE  24           HA       ILE  24  -4.911  -1.073  -3.376
  182    HB   ILE  24           HB       ILE  24  -7.325  -1.582  -1.623
  183   1HG1  ILE  24          HG12      ILE  24  -6.346  -3.076  -4.107
  184   2HG1  ILE  24          HG13      ILE  24  -5.806  -3.518  -2.490
  185   1HG2  ILE  24          HG21      ILE  24  -7.244  -0.939  -4.607
  186   2HG2  ILE  24          HG22      ILE  24  -8.694  -1.328  -3.664
  187   3HG2  ILE  24          HG23      ILE  24  -7.847   0.171  -3.359
  188   1HD1  ILE  24          HD11      ILE  24  -7.732  -4.905  -3.170
  189   2HD1  ILE  24          HD12      ILE  24  -8.085  -3.944  -1.742
  190   3HD1  ILE  24          HD13      ILE  24  -8.744  -3.457  -3.290
  191    H    LEU  25           H        LEU  25  -4.492   0.954  -3.848
  192    HA   LEU  25           HA       LEU  25  -5.722   3.211  -2.284
  193   1HB   LEU  25           HB2      LEU  25  -2.962   2.667  -3.274
  194   2HB   LEU  25           HB3      LEU  25  -3.580   4.303  -3.516
  195    HG   LEU  25           HG       LEU  25  -3.557   4.865  -1.369
  196   1HD1  LEU  25          HD11      LEU  25  -4.820   3.256  -0.346
  197   2HD1  LEU  25          HD12      LEU  25  -3.731   1.950  -0.825
  198   3HD1  LEU  25          HD13      LEU  25  -3.253   3.105   0.463
  199   1HD2  LEU  25          HD21      LEU  25  -1.292   4.550  -2.233
  200   2HD2  LEU  25          HD22      LEU  25  -1.303   4.154  -0.511
  201   3HD2  LEU  25          HD23      LEU  25  -1.256   2.856  -1.703
  202    H    HIS  26           H        HIS  26  -7.566   3.170  -3.514
  203    HA   HIS  26           HA       HIS  26  -8.905   3.861  -5.213
  204   1HB   HIS  26           HB2      HIS  26  -6.473   5.017  -6.631
  205   2HB   HIS  26           HB3      HIS  26  -8.167   5.434  -6.856
  206    HD1  HIS  26           HD1      HIS  26  -9.206   7.160  -5.101
  207    HD2  HIS  26           HD2      HIS  26  -5.223   5.969  -4.419
  208    HE1  HIS  26           HE1      HIS  26  -8.266   8.740  -3.356
  209    H    TYR  27           H        TYR  27  -8.422   1.290  -5.306
  210    HA   TYR  27           HA       TYR  27  -8.601  -0.538  -6.604
  211   1HB   TYR  27           HB2      TYR  27  -8.911   1.271  -9.019
  212   2HB   TYR  27           HB3      TYR  27  -9.545  -0.345  -8.783
  213    HD1  TYR  27           HD1      TYR  27 -10.524   2.996  -8.875
  214    HD2  TYR  27           HD2      TYR  27 -10.951  -0.478  -6.376
  215    HE1  TYR  27           HE1      TYR  27 -12.610   3.926  -7.923
  216    HE2  TYR  27           HE2      TYR  27 -13.109   0.376  -5.532
  217    HH   TYR  27           HH       TYR  27 -14.292   3.644  -6.352
  218    H    LYS  28           H        LYS  28  -5.916   0.869  -6.304
  219    HA   LYS  28           HA       LYS  28  -4.422  -0.513  -8.480
  220   1HB   LYS  28           HB2      LYS  28  -3.898   2.154  -7.201
  221   2HB   LYS  28           HB3      LYS  28  -2.758   1.299  -8.249
  222   1HG   LYS  28           HG2      LYS  28  -4.363   1.436 -10.123
  223   2HG   LYS  28           HG3      LYS  28  -5.583   2.101  -9.045
  224   1HD   LYS  28           HD2      LYS  28  -3.413   3.805  -8.668
  225   2HD   LYS  28           HD3      LYS  28  -3.256   3.387 -10.375
  226   1HE   LYS  28           HE2      LYS  28  -5.123   4.596 -10.978
  227   2HE   LYS  28           HE3      LYS  28  -6.051   4.115  -9.559
  228   1HZ   LYS  28           HZ1      LYS  28  -4.880   5.633  -8.225
  229   2HZ   LYS  28           HZ2      LYS  28  -3.951   6.145  -9.481
  230   3HZ   LYS  28           HZ3      LYS  28  -5.577   6.421  -9.489
  231    H    VAL  29           H        VAL  29  -2.950  -1.947  -7.706
  232    HA   VAL  29           HA       VAL  29  -2.718  -2.185  -4.784
  233    HB   VAL  29           HB       VAL  29  -1.800  -4.195  -6.831
  234   1HG1  VAL  29          HG11      VAL  29  -2.734  -4.516  -3.942
  235   2HG1  VAL  29          HG12      VAL  29  -1.980  -5.749  -4.973
  236   3HG1  VAL  29          HG13      VAL  29  -1.029  -4.376  -4.389
  237   1HG2  VAL  29          HG21      VAL  29  -4.547  -3.801  -5.619
  238   2HG2  VAL  29          HG22      VAL  29  -4.092  -3.923  -7.338
  239   3HG2  VAL  29          HG23      VAL  29  -3.980  -5.341  -6.297
  240    H    TYR  30           H        TYR  30  -0.803  -1.988  -3.722
  241    HA   TYR  30           HA       TYR  30   1.658  -1.238  -5.259
  242   1HB   TYR  30           HB2      TYR  30   0.480   0.048  -2.762
  243   2HB   TYR  30           HB3      TYR  30   2.041   0.435  -3.481
  244    HD1  TYR  30           HD1      TYR  30   2.149   1.409  -5.765
  245    HD2  TYR  30           HD2      TYR  30  -1.623   0.785  -3.843
  246    HE1  TYR  30           HE1      TYR  30   1.056   2.998  -7.358
  247    HE2  TYR  30           HE2      TYR  30  -2.677   2.427  -5.395
  248    HH   TYR  30           HH       TYR  30  -0.692   4.453  -7.545
  249    H    ASP  31           H        ASP  31   3.289  -2.602  -4.747
  250    HA   ASP  31           HA       ASP  31   3.202  -4.173  -2.223
  251   1HB   ASP  31           HB2      ASP  31   3.786  -5.424  -4.225
  252   2HB   ASP  31           HB3      ASP  31   5.040  -4.239  -4.645
  253    H    LEU  32           H        LEU  32   4.012  -3.093  -0.467
  254    HA   LEU  32           HA       LEU  32   6.423  -1.385  -0.882
  255   1HB   LEU  32           HB2      LEU  32   4.398  -1.013   1.269
  256   2HB   LEU  32           HB3      LEU  32   5.593   0.134   0.784
  257    HG   LEU  32           HG       LEU  32   3.555  -0.579  -1.331
  258   1HD1  LEU  32          HD11      LEU  32   1.876   0.785  -0.515
  259   2HD1  LEU  32          HD12      LEU  32   2.294  -0.278   0.823
  260   3HD1  LEU  32          HD13      LEU  32   2.880   1.404   0.817
  261   1HD2  LEU  32          HD21      LEU  32   5.585   0.942  -1.629
  262   2HD2  LEU  32          HD22      LEU  32   4.018   1.600  -2.107
  263   3HD2  LEU  32          HD23      LEU  32   4.758   2.094  -0.563
  264    H    THR  33           H        THR  33   6.009  -4.336  -0.207
  265    HA   THR  33           HA       THR  33   6.554  -4.982   2.445
  266    HB   THR  33           HB       THR  33   6.081  -6.585   0.681
  267    HG1  THR  33           HG1      THR  33   7.417  -7.421   2.507
  268   1HG2  THR  33          HG21      THR  33   8.826  -6.484  -0.464
  269   2HG2  THR  33          HG22      THR  33   7.329  -7.257  -1.023
  270   3HG2  THR  33          HG23      THR  33   7.495  -5.497  -1.094
  271    H    LYS  34           H        LYS  34   8.914  -4.165  -0.109
  272    HA   LYS  34           HA       LYS  34  11.083  -4.063   1.920
  273   1HB   LYS  34           HB2      LYS  34  10.941  -4.754  -0.979
  274   2HB   LYS  34           HB3      LYS  34  12.212  -3.606  -0.609
  275   1HG   LYS  34           HG2      LYS  34  13.374  -5.494  -0.268
  276   2HG   LYS  34           HG3      LYS  34  12.808  -5.207   1.373
  277   1HD   LYS  34           HD2      LYS  34  10.807  -6.788   0.710
  278   2HD   LYS  34           HD3      LYS  34  11.814  -7.193  -0.695
  279   1HE   LYS  34           HE2      LYS  34  13.648  -7.447   1.374
  280   2HE   LYS  34           HE3      LYS  34  12.152  -7.848   2.227
  281   1HZ   LYS  34           HZ1      LYS  34  13.161  -9.160  -0.214
  282   2HZ   LYS  34           HZ2      LYS  34  13.259  -9.763   1.309
  283   3HZ   LYS  34           HZ3      LYS  34  11.787  -9.582   0.596
  284    H    PHE  35           H        PHE  35   8.869  -2.158   1.855
  285    HA   PHE  35           HA       PHE  35  10.575   0.240   1.665
  286   1HB   PHE  35           HB2      PHE  35   8.633  -0.229  -0.199
  287   2HB   PHE  35           HB3      PHE  35   7.680   0.399   1.069
  288    HD1  PHE  35           HD1      PHE  35   7.112   2.673   0.688
  289    HD2  PHE  35           HD2      PHE  35  11.133   1.343  -0.201
  290    HE1  PHE  35           HE1      PHE  35   7.760   4.985   0.069
  291    HE2  PHE  35           HE2      PHE  35  11.762   3.626  -0.797
  292    HZ   PHE  35           HZ       PHE  35  10.088   5.470  -0.681
  293    H    LEU  36           H        LEU  36   9.131  -1.783   3.795
  294    HA   LEU  36           HA       LEU  36   7.429  -0.029   5.267
  295   1HB   LEU  36           HB2      LEU  36   9.061  -2.443   6.150
  296   2HB   LEU  36           HB3      LEU  36   7.800  -1.673   7.121
  297    HG   LEU  36           HG       LEU  36   7.325  -2.860   4.346
  298   1HD1  LEU  36          HD11      LEU  36   6.544  -4.097   6.995
  299   2HD1  LEU  36          HD12      LEU  36   6.452  -4.797   5.360
  300   3HD1  LEU  36          HD13      LEU  36   8.030  -4.520   6.106
  301   1HD2  LEU  36          HD21      LEU  36   4.912  -2.790   5.245
  302   2HD2  LEU  36          HD22      LEU  36   5.504  -1.660   6.464
  303   3HD2  LEU  36          HD23      LEU  36   5.618  -1.260   4.731
  304    H    GLU  37           H        GLU  37  10.776  -1.063   6.137
  305    HA   GLU  37           HA       GLU  37  11.144   0.935   8.092
  306   1HB   GLU  37           HB2      GLU  37  13.516   0.332   7.945
  307   2HB   GLU  37           HB3      GLU  37  12.469  -1.085   8.013
  308   1HG   GLU  37           HG2      GLU  37  12.741  -1.385   5.528
  309   2HG   GLU  37           HG3      GLU  37  13.827   0.017   5.515
  310    H    GLU  38           H        GLU  38  11.514   1.044   4.604
  311    HA   GLU  38           HA       GLU  38  12.970   3.518   4.450
  312   1HB   GLU  38           HB2      GLU  38  11.171   2.150   2.449
  313   2HB   GLU  38           HB3      GLU  38  12.282   3.438   2.079
  314   1HG   GLU  38           HG2      GLU  38  13.824   1.402   3.427
  315   2HG   GLU  38           HG3      GLU  38  12.847   0.604   2.189
  316    H    HIS  39           HN       HIS  39   9.474   2.685   4.498
  317    HA   HIS  39           HA       HIS  39   8.500   5.074   3.470
  318   1HB   HIS  39           HB2      HIS  39   7.091   3.129   3.703
  319   2HB   HIS  39           HB3      HIS  39   7.234   3.189   5.464
  320    HD1  HIS  39           HND      HIS  39   5.332   4.357   6.636
  321    HD2  HIS  39           HD       HIS  39   5.746   5.439   2.599
  322    HE1  HIS  39           HE       HIS  39   3.411   5.931   6.114
  323    HA   PRO  40           HA       PRO  40   9.880   7.664   6.826
  324   1HB   PRO  40           HB2      PRO  40   8.929  10.109   6.039
  325   2HB   PRO  40           HB3      PRO  40  10.271   9.264   5.212
  326   1HG   PRO  40           HG2      PRO  40   7.347   9.256   4.487
  327   2HG   PRO  40           HG3      PRO  40   8.724   9.595   3.390
  328   1HD   PRO  40           HD2      PRO  40   7.551   7.161   3.510
  329   2HD   PRO  40           HD3      PRO  40   9.331   7.286   3.351
  330    H    GLY  41           H        GLY  41   6.472   7.223   6.108
  331   1HA   GLY  41           HA1      GLY  41   5.403   8.752   8.311
  332   2HA   GLY  41           HA2      GLY  41   4.579   7.503   7.391
  333    H    GLY  42           H        GLY  42   4.508   5.366   8.193
  334   1HA   GLY  42           HA1      GLY  42   6.212   4.625  10.471
  335   2HA   GLY  42           HA2      GLY  42   4.461   4.664  10.761
  336    H    GLU  43           H        GLU  43   6.658   2.420  10.400
  337    HA   GLU  43           HA       GLU  43   5.785   0.862   8.172
  338   1HB   GLU  43           HB2      GLU  43   6.876  -0.141  10.825
  339   2HB   GLU  43           HB3      GLU  43   6.940  -0.952   9.264
  340   1HG   GLU  43           HG2      GLU  43   8.934   0.025   8.868
  341   2HG   GLU  43           HG3      GLU  43   8.209   1.633   8.918
  342    H    ALA  44           H        ALA  44   4.857   0.972  11.623
  343    HA   ALA  44           HA       ALA  44   3.186  -1.251  11.693
  344   1HB   ALA  44           HB1      ALA  44   3.984   0.241  13.643
  345   2HB   ALA  44           HB2      ALA  44   2.563   1.252  13.302
  346   3HB   ALA  44           HB3      ALA  44   2.356  -0.453  13.746
  347    H    VAL  45           H        VAL  45   2.199   2.168  11.135
  348    HA   VAL  45           HA       VAL  45  -0.483   1.589  10.460
  349    HB   VAL  45           HB       VAL  45   0.218   3.807  11.042
  350   1HG1  VAL  45          HG11      VAL  45   1.578   4.027   8.332
  351   2HG1  VAL  45          HG12      VAL  45   1.399   5.295   9.557
  352   3HG1  VAL  45          HG13      VAL  45   2.403   3.888   9.907
  353   1HG2  VAL  45          HG21      VAL  45  -1.017   3.580   8.276
  354   2HG2  VAL  45          HG22      VAL  45  -1.853   3.623   9.843
  355   3HG2  VAL  45          HG23      VAL  45  -1.007   5.059   9.251
  356    H    LEU  46           H        LEU  46   2.463   1.822   8.182
  357    HA   LEU  46           HA       LEU  46   0.941   1.039   5.917
  358   1HB   LEU  46           HB2      LEU  46   3.805   0.914   6.785
  359   2HB   LEU  46           HB3      LEU  46   3.354  -0.198   5.504
  360    HG   LEU  46           HG       LEU  46   4.252   2.182   4.928
  361   1HD1  LEU  46          HD11      LEU  46   2.704   2.232   2.902
  362   2HD1  LEU  46          HD12      LEU  46   3.630   0.745   3.179
  363   3HD1  LEU  46          HD13      LEU  46   1.902   0.808   3.599
  364   1HD2  LEU  46          HD21      LEU  46   2.590   3.468   6.295
  365   2HD2  LEU  46          HD22      LEU  46   2.624   3.871   4.565
  366   3HD2  LEU  46          HD23      LEU  46   1.303   2.929   5.193
  367    H    ARG  47           H        ARG  47   2.117  -1.046   8.513
  368    HA   ARG  47           HA       ARG  47   1.439  -3.462   7.064
  369   1HB   ARG  47           HB2      ARG  47   3.138  -2.844   9.097
  370   2HB   ARG  47           HB3      ARG  47   1.823  -3.538  10.027
  371   1HG   ARG  47           HG2      ARG  47   3.181  -4.846   7.599
  372   2HG   ARG  47           HG3      ARG  47   3.748  -5.063   9.248
  373   1HD   ARG  47           HD2      ARG  47   0.992  -5.919   8.248
  374   2HD   ARG  47           HD3      ARG  47   2.401  -6.963   8.470
  375    HE   ARG  47           HE       ARG  47   1.852  -5.484  10.865
  376   1HH1  ARG  47          HH11      ARG  47   0.551  -8.240  12.599
  377   2HH1  ARG  47          HH12      ARG  47   1.303  -6.683  12.743
  378   1HH2  ARG  47          HH21      ARG  47   0.143  -9.179  10.452
  379   2HH2  ARG  47          HH22      ARG  47   0.367  -8.174   9.079
  380    H    ALA  48           H        ALA  48  -0.218  -1.375   9.365
  381    HA   ALA  48           HA       ALA  48  -2.401  -3.230   9.920
  382   1HB   ALA  48           HB1      ALA  48  -1.965  -1.632  11.590
  383   2HB   ALA  48           HB2      ALA  48  -1.841  -0.300  10.423
  384   3HB   ALA  48           HB3      ALA  48  -3.430  -1.014  10.788
  385    H    GLN  49           H        GLN  49  -2.055  -0.261   7.884
  386    HA   GLN  49           HA       GLN  49  -4.610  -0.513   6.625
  387   1HB   GLN  49           HB2      GLN  49  -2.066   1.092   6.285
  388   2HB   GLN  49           HB3      GLN  49  -3.118   0.963   4.911
  389   1HG   GLN  49           HG2      GLN  49  -3.760   2.917   6.117
  390   2HG   GLN  49           HG3      GLN  49  -5.051   1.721   6.276
  391   1HE2  GLN  49          HE21      GLN  49  -5.716   3.220   8.112
  392   2HE2  GLN  49          HE22      GLN  49  -4.908   2.992   9.650
  393    H    ALA  50           H        ALA  50  -1.528  -2.108   6.108
  394    HA   ALA  50           HA       ALA  50  -1.821  -2.969   3.531
  395   1HB   ALA  50           HB1      ALA  50  -0.850  -4.728   5.767
  396   2HB   ALA  50           HB2      ALA  50  -0.400  -4.815   4.045
  397   3HB   ALA  50           HB3      ALA  50   0.098  -3.455   5.039
  398    H    GLY  51           H        GLY  51  -2.906  -4.688   2.491
  399   1HA   GLY  51           HA1      GLY  51  -4.036  -6.892   2.938
  400   2HA   GLY  51           HA2      GLY  51  -5.177  -5.994   3.959
  401    H    GLY  52           H        GLY  52  -5.393  -3.678   2.343
  402   1HA   GLY  52           HA1      GLY  52  -5.889  -3.407  -0.161
  403   2HA   GLY  52           HA2      GLY  52  -6.943  -4.802   0.022
  404    H    ASP  53           H        ASP  53  -6.449  -1.991   2.240
  405    HA   ASP  53           HA       ASP  53  -8.812  -0.655   1.367
  406   1HB   ASP  53           HB2      ASP  53  -9.831  -2.597   2.698
  407   2HB   ASP  53           HB3      ASP  53  -9.063  -1.913   4.136
  408    H    ALA  54           H        ALA  54  -6.918   0.771   1.203
  409    HA   ALA  54           HA       ALA  54  -6.587   2.258   3.771
  410   1HB   ALA  54           HB1      ALA  54  -4.236   2.435   3.502
  411   2HB   ALA  54           HB2      ALA  54  -4.652   0.699   3.415
  412   3HB   ALA  54           HB3      ALA  54  -4.260   1.590   1.936
  413    H    THR  55           H        THR  55  -7.954   2.506   0.917
  414    HA   THR  55           HA       THR  55  -6.557   4.646  -0.369
  415    HB   THR  55           HB       THR  55  -9.531   3.999  -0.529
  416    HG1  THR  55           HG1      THR  55  -7.496   2.387  -1.129
  417   1HG2  THR  55          HG21      THR  55  -9.217   4.824  -2.856
  418   2HG2  THR  55          HG22      THR  55  -8.833   6.099  -1.676
  419   3HG2  THR  55          HG23      THR  55  -7.523   5.198  -2.462
  420    H    ALA  56           H        ALA  56  -9.429   4.670   1.798
  421    HA   ALA  56           HA       ALA  56  -9.630   7.482   1.967
  422   1HB   ALA  56           HB1      ALA  56 -10.433   5.838   4.353
  423   2HB   ALA  56           HB2      ALA  56 -11.314   7.101   3.475
  424   3HB   ALA  56           HB3      ALA  56 -11.217   5.466   2.806
  425    H    ASN  57           H        ASN  57  -7.820   5.146   3.969
  426    HA   ASN  57           HA       ASN  57  -6.960   6.983   5.961
  427   1HB   ASN  57           HB2      ASN  57  -5.590   4.427   5.055
  428   2HB   ASN  57           HB3      ASN  57  -5.400   5.242   6.616
  429   1HD2  ASN  57          HD21      ASN  57  -7.174   5.134   8.184
  430   2HD2  ASN  57          HD22      ASN  57  -8.426   3.925   7.960
  431    H    PHE  58           H        PHE  58  -5.334   5.751   3.036
  432    HA   PHE  58           HA       PHE  58  -2.871   7.117   3.197
  433   1HB   PHE  58           HB2      PHE  58  -3.313   5.308   1.640
  434   2HB   PHE  58           HB3      PHE  58  -4.575   6.230   0.833
  435    HD1  PHE  58           HD1      PHE  58  -0.932   6.327   1.607
  436    HD2  PHE  58           HD2      PHE  58  -4.043   7.617  -1.058
  437    HE1  PHE  58           HE1      PHE  58   0.784   7.034  -0.056
  438    HE2  PHE  58           HE2      PHE  58  -2.356   8.399  -2.661
  439    HZ   PHE  58           HZ       PHE  58   0.080   8.085  -2.180
  440    H    GLU  59           H        GLU  59  -5.911   8.034   1.509
  441    HA   GLU  59           HA       GLU  59  -5.026  10.607   0.686
  442   1HB   GLU  59           HB2      GLU  59  -7.768   9.404   1.104
  443   2HB   GLU  59           HB3      GLU  59  -7.504  10.985   0.350
  444   1HG   GLU  59           HG2      GLU  59  -6.122   8.490  -0.729
  445   2HG   GLU  59           HG3      GLU  59  -7.760   8.934  -1.176
  446    H    ALA  60           H        ALA  60  -6.784   9.527   3.625
  447    HA   ALA  60           HA       ALA  60  -7.342  12.036   4.761
  448   1HB   ALA  60           HB1      ALA  60  -6.785   9.312   5.958
  449   2HB   ALA  60           HB2      ALA  60  -6.986  10.723   6.995
  450   3HB   ALA  60           HB3      ALA  60  -8.296  10.232   5.904
  451    H    VAL  61           H        VAL  61  -4.348  10.042   5.081
  452    HA   VAL  61           HA       VAL  61  -2.956  12.096   6.578
  453    HB   VAL  61           HB       VAL  61  -1.977   9.707   4.973
  454   1HG1  VAL  61          HG11      VAL  61   0.131  10.251   6.471
  455   2HG1  VAL  61          HG12      VAL  61  -0.056  11.042   4.908
  456   3HG1  VAL  61          HG13      VAL  61  -0.465  11.907   6.407
  457   1HG2  VAL  61          HG21      VAL  61  -1.982  10.231   7.976
  458   2HG2  VAL  61          HG22      VAL  61  -3.287   9.357   7.148
  459   3HG2  VAL  61          HG23      VAL  61  -1.645   8.704   7.132
  460    H    GLY  62           H        GLY  62  -2.966  11.212   3.091
  461   1HA   GLY  62           HA1      GLY  62  -2.809  12.683   1.292
  462   2HA   GLY  62           HA2      GLY  62  -2.365  14.026   2.358
  463    H    HIS  63           HN       HIS  63  -1.010  13.266  -0.100
  464    HA   HIS  63           HA       HIS  63   1.710  12.613   0.815
  465   1HB   HIS  63           HB2      HIS  63  -0.071  10.864  -0.931
  466   2HB   HIS  63           HB3      HIS  63   1.675  10.807  -1.046
  467    HD1  HIS  63           HND      HIS  63  -1.057   9.938   1.592
  468    HD2  HIS  63           HD       HIS  63   3.003   9.445   0.676
  469    HE1  HIS  63           HE       HIS  63  -0.151   8.259   3.264
  470    H    SER  64           H        SER  64   3.101  13.921  -0.363
  471    HA   SER  64           HA       SER  64   2.074  15.806  -2.234
  472   1HB   SER  64           HB2      SER  64   4.949  14.985  -1.623
  473   2HB   SER  64           HB3      SER  64   4.478  16.449  -2.505
  474    HG   SER  64           HG       SER  64   3.197  16.978  -0.585
  475    H    THR  65           H        THR  65   3.438  16.207  -4.435
  476    HA   THR  65           HA       THR  65   2.476  14.397  -6.361
  477    HB   THR  65           HB       THR  65   4.143  15.585  -7.833
  478    HG1  THR  65           HG1      THR  65   5.494  17.075  -6.888
  479   1HG2  THR  65          HG21      THR  65   1.812  16.600  -6.810
  480   2HG2  THR  65          HG22      THR  65   2.957  17.823  -6.229
  481   3HG2  THR  65          HG23      THR  65   2.836  17.471  -7.962
  482    H    ASP  66           H        ASP  66   5.829  14.852  -5.337
  483    HA   ASP  66           HA       ASP  66   7.085  12.771  -6.553
  484   1HB   ASP  66           HB2      ASP  66   7.788  14.577  -4.573
  485   2HB   ASP  66           HB3      ASP  66   7.850  13.064  -3.663
  486    H    ALA  67           H        ALA  67   5.328  12.523  -3.462
  487    HA   ALA  67           HA       ALA  67   5.702   9.723  -3.062
  488   1HB   ALA  67           HB1      ALA  67   3.510  11.556  -2.040
  489   2HB   ALA  67           HB2      ALA  67   3.948   9.964  -1.387
  490   3HB   ALA  67           HB3      ALA  67   5.083  11.329  -1.282
  491    H    ARG  68           H        ARG  68   3.098  11.604  -4.600
  492    HA   ARG  68           HA       ARG  68   1.288   9.493  -5.181
  493   1HB   ARG  68           HB2      ARG  68   1.454  12.313  -5.659
  494   2HB   ARG  68           HB3      ARG  68   1.351  11.578  -7.233
  495   1HG   ARG  68           HG2      ARG  68  -0.831  11.775  -6.891
  496   2HG   ARG  68           HG3      ARG  68  -0.693  10.215  -6.110
  497   1HD   ARG  68           HD2      ARG  68  -1.014  11.136  -3.986
  498   2HD   ARG  68           HD3      ARG  68  -0.286  12.678  -4.389
  499    HE   ARG  68           HE       ARG  68  -3.056  12.050  -4.460
  500   1HH1  ARG  68          HH11      ARG  68  -3.974  14.901  -6.354
  501   2HH1  ARG  68          HH12      ARG  68  -4.547  13.627  -5.325
  502   1HH2  ARG  68          HH21      ARG  68  -1.652  15.044  -6.869
  503   2HH2  ARG  68          HH22      ARG  68  -0.590  13.848  -6.183
  504    H    GLU  69           H        GLU  69   4.183  10.655  -6.819
  505    HA   GLU  69           HA       GLU  69   3.819   8.968  -9.212
  506   1HB   GLU  69           HB2      GLU  69   5.698  11.053  -8.245
  507   2HB   GLU  69           HB3      GLU  69   6.328   9.918  -9.434
  508   1HG   GLU  69           HG2      GLU  69   3.632  11.207  -9.957
  509   2HG   GLU  69           HG3      GLU  69   5.108  12.149 -10.194
  510    H    LEU  70           H        LEU  70   5.787   9.005  -6.240
  511    HA   LEU  70           HA       LEU  70   7.370   6.786  -6.771
  512   1HB   LEU  70           HB2      LEU  70   7.693   8.353  -4.926
  513   2HB   LEU  70           HB3      LEU  70   6.235   7.735  -4.155
  514    HG   LEU  70           HG       LEU  70   7.207   5.977  -3.216
  515   1HD1  LEU  70          HD11      LEU  70   9.136   4.707  -4.221
  516   2HD1  LEU  70          HD12      LEU  70   7.556   4.703  -4.988
  517   3HD1  LEU  70          HD13      LEU  70   8.871   5.694  -5.680
  518   1HD2  LEU  70          HD21      LEU  70   9.443   7.945  -3.632
  519   2HD2  LEU  70          HD22      LEU  70   8.590   7.453  -2.152
  520   3HD2  LEU  70          HD23      LEU  70   9.788   6.381  -2.890
  521    H    SER  71           H        SER  71   4.282   6.883  -4.998
  522    HA   SER  71           HA       SER  71   3.669   4.197  -4.708
  523   1HB   SER  71           HB2      SER  71   1.347   4.748  -4.800
  524   2HB   SER  71           HB3      SER  71   2.222   6.095  -4.021
  525    HG   SER  71           HG       SER  71   0.872   7.012  -5.492
  526    H    LYS  72           H        LYS  72   2.838   6.049  -7.697
  527    HA   LYS  72           HA       LYS  72   2.096   3.880  -9.299
  528   1HB   LYS  72           HB2      LYS  72   3.508   6.466 -10.045
  529   2HB   LYS  72           HB3      LYS  72   2.968   5.296 -11.231
  530   1HG   LYS  72           HG2      LYS  72   0.845   5.918  -9.259
  531   2HG   LYS  72           HG3      LYS  72   1.473   7.369 -10.055
  532   1HD   LYS  72           HD2      LYS  72   1.205   6.328 -12.260
  533   2HD   LYS  72           HD3      LYS  72   0.564   4.841 -11.526
  534   1HE   LYS  72           HE2      LYS  72  -1.445   5.931 -10.823
  535   2HE   LYS  72           HE3      LYS  72  -0.747   7.548 -11.043
  536   1HZ   LYS  72           HZ1      LYS  72  -0.684   7.148 -13.403
  537   2HZ   LYS  72           HZ2      LYS  72  -1.390   5.674 -13.225
  538   3HZ   LYS  72           HZ3      LYS  72  -2.221   7.045 -12.842
  539    H    THR  73           H        THR  73   5.448   5.002  -8.694
  540    HA   THR  73           HA       THR  73   6.721   3.085 -10.422
  541    HB   THR  73           HB       THR  73   7.580   4.994  -8.304
  542    HG1  THR  73           HG1      THR  73   7.861   5.603 -10.340
  543   1HG2  THR  73          HG21      THR  73   8.662   3.053  -7.333
  544   2HG2  THR  73          HG22      THR  73   9.327   2.594  -8.925
  545   3HG2  THR  73          HG23      THR  73   9.841   4.098  -8.136
  546    H    PHE  74           H        PHE  74   5.245   2.750  -7.316
  547    HA   PHE  74           HA       PHE  74   6.331  -0.015  -6.946
  548   1HB   PHE  74           HB2      PHE  74   4.828   1.909  -5.134
  549   2HB   PHE  74           HB3      PHE  74   4.865   0.192  -4.786
  550    HD1  PHE  74           HD1      PHE  74   7.256  -0.973  -4.993
  551    HD2  PHE  74           HD2      PHE  74   6.368   3.054  -3.747
  552    HE1  PHE  74           HE1      PHE  74   9.403  -0.885  -3.769
  553    HE2  PHE  74           HE2      PHE  74   8.509   3.125  -2.498
  554    HZ   PHE  74           HZ       PHE  74  10.022   1.155  -2.507
  555    H    ILE  75           H        ILE  75   3.856   1.373  -8.709
  556    HA   ILE  75           HA       ILE  75   1.645  -0.177  -7.836
  557    HB   ILE  75           HB       ILE  75   1.844   1.754  -9.596
  558   1HG1  ILE  75          HG12      ILE  75  -0.243  -0.416  -9.436
  559   2HG1  ILE  75          HG13      ILE  75  -0.125   1.131  -8.565
  560   1HG2  ILE  75          HG21      ILE  75   1.570   1.060 -11.893
  561   2HG2  ILE  75          HG22      ILE  75   3.054   0.335 -11.296
  562   3HG2  ILE  75          HG23      ILE  75   1.573  -0.656 -11.420
  563   1HD1  ILE  75          HD11      ILE  75  -0.663   0.758 -11.505
  564   2HD1  ILE  75          HD12      ILE  75  -1.721   1.464 -10.276
  565   3HD1  ILE  75          HD13      ILE  75  -0.227   2.321 -10.742
  566    H    ILE  76           H        ILE  76   1.287  -2.330  -7.930
  567    HA   ILE  76           HA       ILE  76   3.098  -4.029  -9.639
  568    HB   ILE  76           HB       ILE  76   2.164  -5.892  -8.194
  569   1HG1  ILE  76          HG12      ILE  76   1.523  -3.599  -6.277
  570   2HG1  ILE  76          HG13      ILE  76   0.301  -4.424  -7.241
  571   1HG2  ILE  76          HG21      ILE  76   3.926  -5.528  -6.548
  572   2HG2  ILE  76          HG22      ILE  76   4.467  -4.893  -8.091
  573   3HG2  ILE  76          HG23      ILE  76   3.892  -3.775  -6.840
  574   1HD1  ILE  76          HD11      ILE  76   1.079  -5.134  -4.715
  575   2HD1  ILE  76          HD12      ILE  76   0.292  -6.227  -5.880
  576   3HD1  ILE  76          HD13      ILE  76   2.051  -6.236  -5.696
  577    H    GLY  77           H        GLY  77  -0.125  -2.778  -9.354
  578   1HA   GLY  77           HA1      GLY  77  -0.956  -3.226 -11.853
  579   2HA   GLY  77           HA2      GLY  77  -1.345  -4.785 -11.066
  580    H    GLU  78           H        GLU  78  -3.520  -4.399 -11.242
  581    HA   GLU  78           HA       GLU  78  -4.648  -2.245  -9.555
  582   1HB   GLU  78           HB2      GLU  78  -5.127  -2.947 -12.416
  583   2HB   GLU  78           HB3      GLU  78  -6.546  -2.576 -11.454
  584   1HG   GLU  78           HG2      GLU  78  -6.122  -0.416 -11.936
  585   2HG   GLU  78           HG3      GLU  78  -4.736  -0.521 -10.849
  586    H    LEU  79           H        LEU  79  -6.800  -2.540  -8.989
  587    HA   LEU  79           HA       LEU  79  -7.198  -4.963  -7.492
  588   1HB   LEU  79           HB2      LEU  79  -8.118  -2.805  -6.792
  589   2HB   LEU  79           HB3      LEU  79  -8.970  -2.648  -8.323
  590    HG   LEU  79           HG       LEU  79 -10.189  -4.871  -7.640
  591   1HD1  LEU  79          HD11      LEU  79  -9.638  -5.793  -5.676
  592   2HD1  LEU  79          HD12      LEU  79  -8.468  -4.511  -5.373
  593   3HD1  LEU  79          HD13      LEU  79 -10.149  -4.318  -4.840
  594   1HD2  LEU  79          HD21      LEU  79 -11.066  -2.599  -5.955
  595   2HD2  LEU  79          HD22      LEU  79 -11.054  -2.430  -7.735
  596   3HD2  LEU  79          HD23      LEU  79 -11.964  -3.724  -6.989
  597    H    HIS  80           H        HIS  80  -8.195  -6.826  -8.137
  598    HA   HIS  80           HA       HIS  80  -8.704  -7.516 -10.796
  599   1HB   HIS  80           HB2      HIS  80  -8.467  -8.902  -8.621
  600   2HB   HIS  80           HB3      HIS  80 -10.226  -8.785  -8.527
  601    HD1  HIS  80           HD1      HIS  80 -11.419 -10.603 -10.094
  602    HD2  HIS  80           HD2      HIS  80  -7.292 -10.150 -10.693
  603    HE1  HIS  80           HE1      HIS  80 -10.742 -12.407 -11.727
  604    HA   PRO  81           HA       PRO  81 -12.622  -5.724 -11.715
  605   1HB   PRO  81           HB2      PRO  81 -13.419  -7.219 -13.869
  606   2HB   PRO  81           HB3      PRO  81 -12.183  -5.932 -13.909
  607   1HG   PRO  81           HG2      PRO  81 -11.747  -8.915 -13.730
  608   2HG   PRO  81           HG3      PRO  81 -10.852  -7.718 -14.718
  609   1HD   PRO  81           HD2      PRO  81  -9.954  -8.708 -12.360
  610   2HD   PRO  81           HD3      PRO  81  -9.559  -7.056 -12.905
  611    H    ASP  82           H        ASP  82 -12.223  -8.899 -10.496
  612    HA   ASP  82           HA       ASP  82 -15.056  -9.602 -10.364
  613   1HB   ASP  82           HB2      ASP  82 -13.182 -11.280 -10.515
  614   2HB   ASP  82           HB3      ASP  82 -12.758 -10.843  -8.817
  615    H    ASP  83           H        ASP  83 -12.745  -7.782  -8.459
  616    HA   ASP  83           HA       ASP  83 -14.162  -7.958  -5.907
  617   1HB   ASP  83           HB2      ASP  83 -11.793  -7.701  -5.839
  618   2HB   ASP  83           HB3      ASP  83 -11.846  -6.317  -6.949
  619    H    ARG  84           H        ARG  84 -13.650  -5.511  -8.431
  620    HA   ARG  84           HA       ARG  84 -15.316  -3.523  -7.195
  621   1HB   ARG  84           HB2      ARG  84 -14.902  -2.204  -9.160
  622   2HB   ARG  84           HB3      ARG  84 -13.407  -3.038  -8.711
  623   1HG   ARG  84           HG2      ARG  84 -14.092  -4.840 -10.429
  624   2HG   ARG  84           HG3      ARG  84 -15.367  -3.750 -10.944
  625   1HD   ARG  84           HD2      ARG  84 -13.480  -3.486 -12.434
  626   2HD   ARG  84           HD3      ARG  84 -13.777  -2.011 -11.486
  627    HE   ARG  84           HE       ARG  84 -11.783  -3.837 -10.325
  628   1HH1  ARG  84          HH11      ARG  84  -9.126  -1.587 -10.979
  629   2HH1  ARG  84          HH12      ARG  84  -9.532  -3.170 -10.398
  630   1HH2  ARG  84          HH21      ARG  84 -10.652  -0.542 -12.455
  631   2HH2  ARG  84          HH22      ARG  84 -12.261  -1.184 -12.604
  632    HHA  HEM 201           HGM      HEM 201   4.745  10.890   5.189
  633    HHB  HEM 201           HDM      HEM 201   5.861   7.708  -0.346
  634    HHC  HEM 201           HAM      HEM 201   0.911   3.786   0.979
  635    HHD  HEM 201           HBM      HEM 201   0.185   6.630   6.715
  636   1HMA  HEM 201          HM81      HEM 201   7.996   9.360   0.595
  637   2HMA  HEM 201          HM82      HEM 201   6.697   9.908  -0.478
  638   3HMA  HEM 201          HM83      HEM 201   7.466  11.055   0.608
  639   1HAA  HEM 201          HAA1      HEM 201   6.659  11.698   4.140
  640   2HAA  HEM 201          HAA2      HEM 201   7.169  12.057   2.509
  641   1HBA  HEM 201          HBA1      HEM 201   5.499  13.654   3.706
  642   2HBA  HEM 201          HBA2      HEM 201   4.261  12.462   3.326
  643   1HMB  HEM 201          HM11      HEM 201   5.052   6.611  -2.354
  644   2HMB  HEM 201          HM12      HEM 201   5.835   5.126  -1.731
  645   3HMB  HEM 201          HM13      HEM 201   4.375   5.022  -2.717
  646    HAB  HEM 201          HT2A      HEM 201   2.376   2.822  -1.144
  647   1HBB  HEM 201          HV2C      HEM 201   1.039   5.295  -2.181
  648   2HBB  HEM 201          HV2T      HEM 201   0.837   3.508  -2.719
  649   1HMC  HEM 201          HM31      HEM 201  -0.600   2.318   2.947
  650   2HMC  HEM 201          HM32      HEM 201  -2.055   3.240   3.374
  651   3HMC  HEM 201          HM33      HEM 201  -1.323   3.451   1.780
  652    HAC  HEM 201          HT4A      HEM 201  -1.478   3.661   6.009
  653   1HBC  HEM 201          HV4C      HEM 201  -2.338   6.578   5.553
  654   2HBC  HEM 201          HV4T      HEM 201  -3.125   5.322   6.684
  655   1HMD  HEM 201          HM51      HEM 201   1.910   7.841   9.072
  656   2HMD  HEM 201          HM52      HEM 201   1.248   9.483   8.926
  657   3HMD  HEM 201          HM53      HEM 201   0.306   8.109   8.360
  658   1HAD  HEM 201          HAD1      HEM 201   3.550  10.113   8.724
  659   2HAD  HEM 201          HAD2      HEM 201   4.599  10.713   7.468
  660   1HBD  HEM 201          HBD1      HEM 201   1.868  11.818   7.342
  661   2HBD  HEM 201          HBD2      HEM 201   2.700  12.172   8.862
  Start of MODEL   34
    1   1H    ALA   3           H1       ALA   3   2.749 -10.481 -15.465
    2   2H    ALA   3           H2       ALA   3   2.207 -11.659 -16.453
    3   3H    ALA   3           H3       ALA   3   3.699 -10.982 -16.752
    4    HA   ALA   3           HA       ALA   3   2.828  -9.025 -17.520
    5   1HB   ALA   3           HB1      ALA   3   0.554 -11.001 -18.079
    6   2HB   ALA   3           HB2      ALA   3   0.903  -9.519 -18.991
    7   3HB   ALA   3           HB3      ALA   3   2.046 -10.871 -19.038
    8    H    VAL   4           H        VAL   4   0.281  -7.862 -17.639
    9    HA   VAL   4           HA       VAL   4  -0.236  -7.172 -14.890
   10    HB   VAL   4           HB       VAL   4  -1.940  -6.785 -17.373
   11   1HG1  VAL   4          HG11      VAL   4  -2.237  -5.583 -14.587
   12   2HG1  VAL   4          HG12      VAL   4  -3.111  -5.039 -16.031
   13   3HG1  VAL   4          HG13      VAL   4  -3.389  -6.664 -15.405
   14   1HG2  VAL   4          HG21      VAL   4  -0.106  -4.877 -15.852
   15   2HG2  VAL   4          HG22      VAL   4   0.232  -5.569 -17.455
   16   3HG2  VAL   4          HG23      VAL   4  -1.119  -4.444 -17.245
   17    H    LYS   5           H        LYS   5  -1.522  -8.130 -13.485
   18    HA   LYS   5           HA       LYS   5  -3.681  -9.957 -14.255
   19   1HB   LYS   5           HB2      LYS   5  -1.955 -11.594 -13.931
   20   2HB   LYS   5           HB3      LYS   5  -1.301 -10.737 -12.521
   21   1HG   LYS   5           HG2      LYS   5  -3.244 -11.240 -11.197
   22   2HG   LYS   5           HG3      LYS   5  -4.085 -11.977 -12.586
   23   1HD   LYS   5           HD2      LYS   5  -2.685 -13.894 -12.543
   24   2HD   LYS   5           HD3      LYS   5  -1.385 -13.037 -11.714
   25   1HE   LYS   5           HE2      LYS   5  -2.502 -14.661 -10.212
   26   2HE   LYS   5           HE3      LYS   5  -2.546 -13.000  -9.614
   27   1HZ   LYS   5           HZ1      LYS   5  -4.817 -12.825 -10.374
   28   2HZ   LYS   5           HZ2      LYS   5  -4.790 -14.379 -10.934
   29   3HZ   LYS   5           HZ3      LYS   5  -4.650 -14.077  -9.326
   30    H    TYR   6           H        TYR   6  -5.349  -8.948 -13.235
   31    HA   TYR   6           HA       TYR   6  -4.957  -7.118 -11.071
   32   1HB   TYR   6           HB2      TYR   6  -7.514  -8.543 -11.870
   33   2HB   TYR   6           HB3      TYR   6  -7.317  -7.088 -10.883
   34    HD1  TYR   6           HD1      TYR   6  -7.108  -8.427 -14.357
   35    HD2  TYR   6           HD2      TYR   6  -7.125  -4.924 -11.855
   36    HE1  TYR   6           HE1      TYR   6  -7.183  -6.994 -16.369
   37    HE2  TYR   6           HE2      TYR   6  -7.223  -3.484 -13.880
   38    HH   TYR   6           HH       TYR   6  -7.252  -4.833 -17.182
   39    H    TYR   7           H        TYR   7  -5.674  -7.409  -8.859
   40    HA   TYR   7           HA       TYR   7  -5.430 -10.234  -7.876
   41   1HB   TYR   7           HB2      TYR   7  -4.462  -7.768  -6.424
   42   2HB   TYR   7           HB3      TYR   7  -4.161  -9.447  -6.025
   43    HD1  TYR   7           HD1      TYR   7  -2.901 -10.834  -8.004
   44    HD2  TYR   7           HD2      TYR   7  -2.785  -6.556  -7.525
   45    HE1  TYR   7           HE1      TYR   7  -0.852 -10.710  -9.417
   46    HE2  TYR   7           HE2      TYR   7  -0.707  -6.458  -8.807
   47    HH   TYR   7           HH       TYR   7   0.689  -7.585 -10.263
   48    H    THR   8           H        THR   8  -6.996 -10.877  -6.437
   49    HA   THR   8           HA       THR   8  -9.325  -9.147  -6.079
   50    HB   THR   8           HB       THR   8 -10.268 -11.054  -4.907
   51    HG1  THR   8           HG1      THR   8  -8.047 -12.670  -5.299
   52   1HG2  THR   8          HG21      THR   8 -10.315 -11.172  -7.372
   53   2HG2  THR   8          HG22      THR   8  -8.753 -12.021  -7.380
   54   3HG2  THR   8          HG23      THR   8 -10.171 -12.781  -6.643
   55    H    LEU   9           H        LEU   9 -10.171  -8.592  -3.951
   56    HA   LEU   9           HA       LEU   9  -8.414  -7.475  -2.091
   57   1HB   LEU   9           HB2      LEU   9 -11.122  -7.607  -2.430
   58   2HB   LEU   9           HB3      LEU   9 -10.965  -8.637  -1.029
   59    HG   LEU   9           HG       LEU   9  -9.892  -5.783  -1.288
   60   1HD1  LEU   9          HD11      LEU   9 -11.835  -5.804   0.719
   61   2HD1  LEU   9          HD12      LEU   9 -12.023  -5.193  -0.932
   62   3HD1  LEU   9          HD13      LEU   9 -12.530  -6.840  -0.537
   63   1HD2  LEU   9          HD21      LEU   9  -8.510  -7.026   0.292
   64   2HD2  LEU   9          HD22      LEU   9  -9.550  -5.910   1.174
   65   3HD2  LEU   9          HD23      LEU   9  -9.958  -7.640   1.127
   66    H    GLU  10           H        GLU  10  -9.859 -10.712  -2.198
   67    HA   GLU  10           HA       GLU  10  -8.808 -11.845   0.127
   68   1HB   GLU  10           HB2      GLU  10 -10.457 -12.888  -1.406
   69   2HB   GLU  10           HB3      GLU  10  -9.185 -13.218  -2.561
   70   1HG   GLU  10           HG2      GLU  10  -9.697 -15.210  -1.205
   71   2HG   GLU  10           HG3      GLU  10  -8.028 -14.692  -1.007
   72    H    GLU  11           H        GLU  11  -7.400 -12.087  -3.172
   73    HA   GLU  11           HA       GLU  11  -4.989 -13.321  -2.487
   74   1HB   GLU  11           HB2      GLU  11  -5.911 -11.547  -4.720
   75   2HB   GLU  11           HB3      GLU  11  -4.194 -11.507  -4.415
   76   1HG   GLU  11           HG2      GLU  11  -4.440 -13.169  -6.039
   77   2HG   GLU  11           HG3      GLU  11  -4.171 -14.062  -4.537
   78    H    ILE  12           H        ILE  12  -5.701  -9.815  -2.623
   79    HA   ILE  12           HA       ILE  12  -3.117  -8.951  -1.852
   80    HB   ILE  12           HB       ILE  12  -5.813  -7.592  -1.560
   81   1HG1  ILE  12          HG12      ILE  12  -3.748  -7.131  -3.766
   82   2HG1  ILE  12          HG13      ILE  12  -4.920  -8.409  -3.938
   83   1HG2  ILE  12          HG21      ILE  12  -3.081  -6.284  -1.776
   84   2HG2  ILE  12          HG22      ILE  12  -4.628  -5.478  -1.507
   85   3HG2  ILE  12          HG23      ILE  12  -3.926  -6.488  -0.234
   86   1HD1  ILE  12          HD11      ILE  12  -6.761  -6.750  -3.590
   87   2HD1  ILE  12          HD12      ILE  12  -5.524  -5.468  -3.643
   88   3HD1  ILE  12          HD13      ILE  12  -5.810  -6.499  -5.050
   89    H    GLN  13           H        GLN  13  -6.004  -9.641   0.164
   90    HA   GLN  13           HA       GLN  13  -4.994  -9.057   2.702
   91   1HB   GLN  13           HB2      GLN  13  -7.113 -10.852   1.553
   92   2HB   GLN  13           HB3      GLN  13  -6.671 -11.099   3.221
   93   1HG   GLN  13           HG2      GLN  13  -7.353  -8.319   2.223
   94   2HG   GLN  13           HG3      GLN  13  -8.617  -9.499   2.598
   95   1HE2  GLN  13          HE21      GLN  13  -9.464  -8.417   4.439
   96   2HE2  GLN  13          HE22      GLN  13  -8.533  -8.300   5.922
   97    H    LYS  14           H        LYS  14  -4.090 -11.779   0.584
   98    HA   LYS  14           HA       LYS  14  -3.067 -13.370   2.810
   99   1HB   LYS  14           HB2      LYS  14  -2.583 -13.534  -0.174
  100   2HB   LYS  14           HB3      LYS  14  -1.941 -14.662   0.991
  101   1HG   LYS  14           HG2      LYS  14  -4.941 -14.139   0.801
  102   2HG   LYS  14           HG3      LYS  14  -4.107 -15.235  -0.302
  103   1HD   LYS  14           HD2      LYS  14  -3.185 -16.496   1.645
  104   2HD   LYS  14           HD3      LYS  14  -4.161 -15.511   2.745
  105   1HE   LYS  14           HE2      LYS  14  -5.351 -17.136   0.433
  106   2HE   LYS  14           HE3      LYS  14  -5.045 -17.841   2.023
  107   1HZ   LYS  14           HZ1      LYS  14  -7.307 -17.070   1.817
  108   2HZ   LYS  14           HZ2      LYS  14  -6.550 -16.213   2.986
  109   3HZ   LYS  14           HZ3      LYS  14  -6.881 -15.552   1.539
  110    H    HIS  15           H        HIS  15  -1.951 -10.493   1.228
  111    HA   HIS  15           HA       HIS  15   0.912 -11.001   1.990
  112   1HB   HIS  15           HB2      HIS  15  -0.322  -9.372  -0.265
  113   2HB   HIS  15           HB3      HIS  15   1.368  -9.271   0.242
  114    HD1  HIS  15           HD1      HIS  15   2.842 -10.495  -1.416
  115    HD2  HIS  15           HD2      HIS  15  -0.965 -12.197  -0.939
  116    HE1  HIS  15           HE1      HIS  15   2.744 -12.509  -2.974
  117    H    ASN  16           H        ASN  16  -0.239 -10.244   4.136
  118    HA   ASN  16           HA       ASN  16  -0.471  -7.267   4.206
  119   1HB   ASN  16           HB2      ASN  16  -1.209  -9.315   6.313
  120   2HB   ASN  16           HB3      ASN  16  -1.427  -7.560   6.426
  121   1HD2  ASN  16          HD21      ASN  16  -3.727  -8.687   6.831
  122   2HD2  ASN  16          HD22      ASN  16  -4.691  -8.848   5.370
  123    H    ASN  17           H        ASN  17   1.176  -9.946   5.876
  124    HA   ASN  17           HA       ASN  17   3.444  -8.260   6.628
  125   1HB   ASN  17           HB2      ASN  17   1.769  -8.054   8.494
  126   2HB   ASN  17           HB3      ASN  17   1.776  -9.820   8.631
  127   1HD2  ASN  17          HD21      ASN  17   2.394  -9.327  10.922
  128   2HD2  ASN  17          HD22      ASN  17   4.093  -9.076  11.264
  129    H    SER  18           H        SER  18   5.138  -9.776   7.553
  130    HA   SER  18           HA       SER  18   6.469 -11.554   7.480
  131   1HB   SER  18           HB2      SER  18   4.045 -13.306   6.931
  132   2HB   SER  18           HB3      SER  18   5.595 -13.760   7.653
  133    HG   SER  18           HG       SER  18   4.009 -13.363   9.259
  134    H    LYS  19           H        LYS  19   4.073 -12.108   4.865
  135    HA   LYS  19           HA       LYS  19   6.108 -13.158   3.018
  136   1HB   LYS  19           HB2      LYS  19   3.156 -12.463   2.788
  137   2HB   LYS  19           HB3      LYS  19   4.108 -13.116   1.442
  138   1HG   LYS  19           HG2      LYS  19   4.474 -15.186   2.513
  139   2HG   LYS  19           HG3      LYS  19   4.011 -14.582   4.101
  140   1HD   LYS  19           HD2      LYS  19   1.829 -14.186   2.179
  141   2HD   LYS  19           HD3      LYS  19   2.339 -15.876   2.182
  142   1HE   LYS  19           HE2      LYS  19   1.925 -16.117   4.541
  143   2HE   LYS  19           HE3      LYS  19   1.802 -14.361   4.781
  144   1HZ   LYS  19           HZ1      LYS  19  -0.178 -14.331   3.504
  145   2HZ   LYS  19           HZ2      LYS  19  -0.127 -15.958   3.250
  146   3HZ   LYS  19           HZ3      LYS  19  -0.345 -15.365   4.775
  147    H    SER  20           H        SER  20   3.837 -10.346   2.993
  148    HA   SER  20           HA       SER  20   5.833  -8.492   2.377
  149   1HB   SER  20           HB2      SER  20   5.640  -9.482   0.052
  150   2HB   SER  20           HB3      SER  20   3.923  -9.019   0.053
  151    HG   SER  20           HG       SER  20   5.265  -7.413  -0.927
  152    H    THR  21           H        THR  21   4.401  -6.439   1.495
  153    HA   THR  21           HA       THR  21   1.881  -6.203   3.067
  154    HB   THR  21           HB       THR  21   4.224  -4.279   2.931
  155    HG1  THR  21           HG1      THR  21   3.092  -5.881   4.971
  156   1HG2  THR  21          HG21      THR  21   2.518  -3.297   4.860
  157   2HG2  THR  21          HG22      THR  21   2.750  -2.654   3.224
  158   3HG2  THR  21          HG23      THR  21   1.421  -3.760   3.534
  159    H    TRP  22           H        TRP  22   0.610  -6.407   1.317
  160    HA   TRP  22           HA       TRP  22   0.797  -4.478  -0.925
  161   1HB   TRP  22           HB2      TRP  22  -0.896  -6.980  -0.541
  162   2HB   TRP  22           HB3      TRP  22  -0.943  -5.875  -1.917
  163    HD1  TRP  22           HD1      TRP  22   2.595  -6.513  -1.074
  164    HE1  TRP  22           HE1      TRP  22   3.641  -7.975  -2.777
  165    HE3  TRP  22           HE3      TRP  22  -1.674  -8.140  -3.382
  166    HZ2  TRP  22           HZ2      TRP  22   2.755  -9.810  -4.906
  167    HZ3  TRP  22           HZ3      TRP  22  -1.543  -9.779  -5.224
  168    HH2  TRP  22           HH2      TRP  22   0.668 -10.593  -6.027
  169    H    LEU  23           H        LEU  23  -1.420  -3.534  -1.459
  170    HA   LEU  23           HA       LEU  23  -3.554  -3.480   0.370
  171   1HB   LEU  23           HB2      LEU  23  -3.196  -1.011   1.085
  172   2HB   LEU  23           HB3      LEU  23  -2.421  -2.300   1.972
  173    HG   LEU  23           HG       LEU  23  -0.285  -1.883   0.661
  174   1HD1  LEU  23          HD11      LEU  23  -1.824   0.581  -0.191
  175   2HD1  LEU  23          HD12      LEU  23  -0.081   0.343  -0.420
  176   3HD1  LEU  23          HD13      LEU  23  -1.226  -0.687  -1.283
  177   1HD2  LEU  23          HD21      LEU  23   0.266   0.181   1.874
  178   2HD2  LEU  23          HD22      LEU  23  -1.446   0.352   2.338
  179   3HD2  LEU  23          HD23      LEU  23  -0.501  -1.044   2.909
  180    H    ILE  24           H        ILE  24  -5.024  -1.488  -0.276
  181    HA   ILE  24           HA       ILE  24  -4.825  -1.160  -3.244
  182    HB   ILE  24           HB       ILE  24  -7.246  -1.582  -1.480
  183   1HG1  ILE  24          HG12      ILE  24  -6.489  -3.171  -3.952
  184   2HG1  ILE  24          HG13      ILE  24  -5.697  -3.539  -2.423
  185   1HG2  ILE  24          HG21      ILE  24  -8.512  -1.460  -3.689
  186   2HG2  ILE  24          HG22      ILE  24  -7.860   0.088  -3.165
  187   3HG2  ILE  24          HG23      ILE  24  -7.028  -0.839  -4.432
  188   1HD1  ILE  24          HD11      ILE  24  -7.774  -4.921  -2.767
  189   2HD1  ILE  24          HD12      ILE  24  -7.766  -3.986  -1.274
  190   3HD1  ILE  24          HD13      ILE  24  -8.738  -3.442  -2.643
  191    H    LEU  25           H        LEU  25  -4.250   0.897  -3.673
  192    HA   LEU  25           HA       LEU  25  -5.664   3.120  -2.249
  193   1HB   LEU  25           HB2      LEU  25  -2.978   3.119  -3.632
  194   2HB   LEU  25           HB3      LEU  25  -3.898   4.512  -3.136
  195    HG   LEU  25           HG       LEU  25  -3.032   4.581  -1.186
  196   1HD1  LEU  25          HD11      LEU  25  -4.647   3.089  -0.313
  197   2HD1  LEU  25          HD12      LEU  25  -3.616   1.684  -0.660
  198   3HD1  LEU  25          HD13      LEU  25  -3.100   2.901   0.520
  199   1HD2  LEU  25          HD21      LEU  25  -1.339   2.180  -1.971
  200   2HD2  LEU  25          HD22      LEU  25  -1.012   3.872  -2.382
  201   3HD2  LEU  25          HD23      LEU  25  -0.953   3.344  -0.698
  202    H    HIS  26           H        HIS  26  -7.354   3.649  -3.511
  203    HA   HIS  26           HA       HIS  26  -8.629   4.162  -5.314
  204   1HB   HIS  26           HB2      HIS  26  -6.009   4.934  -6.640
  205   2HB   HIS  26           HB3      HIS  26  -7.627   5.491  -7.078
  206    HD1  HIS  26           HD1      HIS  26  -8.783   7.274  -5.337
  207    HD2  HIS  26           HD2      HIS  26  -4.827   6.074  -4.561
  208    HE1  HIS  26           HE1      HIS  26  -7.867   8.889  -3.605
  209    H    TYR  27           H        TYR  27  -8.305   1.523  -5.164
  210    HA   TYR  27           HA       TYR  27  -8.551  -0.415  -6.282
  211   1HB   TYR  27           HB2      TYR  27  -8.848   1.172  -8.842
  212   2HB   TYR  27           HB3      TYR  27  -9.484  -0.417  -8.476
  213    HD1  TYR  27           HD1      TYR  27 -10.867  -0.172  -5.922
  214    HD2  TYR  27           HD2      TYR  27 -10.680   2.578  -9.241
  215    HE1  TYR  27           HE1      TYR  27 -13.234   0.437  -5.566
  216    HE2  TYR  27           HE2      TYR  27 -12.979   3.329  -8.737
  217    HH   TYR  27           HH       TYR  27 -14.818   3.101  -7.346
  218    H    LYS  28           H        LYS  28  -5.734   1.103  -6.335
  219    HA   LYS  28           HA       LYS  28  -4.505  -0.751  -8.327
  220   1HB   LYS  28           HB2      LYS  28  -3.462   1.905  -7.327
  221   2HB   LYS  28           HB3      LYS  28  -2.689   0.798  -8.469
  222   1HG   LYS  28           HG2      LYS  28  -5.107   1.139  -9.689
  223   2HG   LYS  28           HG3      LYS  28  -5.033   2.655  -8.782
  224   1HD   LYS  28           HD2      LYS  28  -2.759   3.084  -9.787
  225   2HD   LYS  28           HD3      LYS  28  -2.885   1.553 -10.656
  226   1HE   LYS  28           HE2      LYS  28  -3.852   2.604 -12.368
  227   2HE   LYS  28           HE3      LYS  28  -5.283   2.820 -11.357
  228   1HZ   LYS  28           HZ1      LYS  28  -4.567   4.896 -12.230
  229   2HZ   LYS  28           HZ2      LYS  28  -4.328   4.911 -10.598
  230   3HZ   LYS  28           HZ3      LYS  28  -3.049   4.709 -11.623
  231    H    VAL  29           H        VAL  29  -2.996  -2.202  -7.619
  232    HA   VAL  29           HA       VAL  29  -2.677  -2.387  -4.707
  233    HB   VAL  29           HB       VAL  29  -1.868  -4.409  -6.794
  234   1HG1  VAL  29          HG11      VAL  29  -2.655  -4.722  -3.860
  235   2HG1  VAL  29          HG12      VAL  29  -2.011  -5.974  -4.948
  236   3HG1  VAL  29          HG13      VAL  29  -0.977  -4.642  -4.415
  237   1HG2  VAL  29          HG21      VAL  29  -4.083  -5.474  -6.136
  238   2HG2  VAL  29          HG22      VAL  29  -4.535  -3.917  -5.423
  239   3HG2  VAL  29          HG23      VAL  29  -4.199  -4.047  -7.168
  240    H    TYR  30           H        TYR  30  -0.774  -2.156  -3.663
  241    HA   TYR  30           HA       TYR  30   1.695  -1.554  -5.245
  242   1HB   TYR  30           HB2      TYR  30   0.592  -0.243  -2.742
  243   2HB   TYR  30           HB3      TYR  30   2.176   0.085  -3.414
  244    HD1  TYR  30           HD1      TYR  30   2.373   1.160  -5.669
  245    HD2  TYR  30           HD2      TYR  30  -1.461   0.578  -3.820
  246    HE1  TYR  30           HE1      TYR  30   1.332   2.696  -7.324
  247    HE2  TYR  30           HE2      TYR  30  -2.472   2.142  -5.445
  248    HH   TYR  30           HH       TYR  30  -0.529   3.833  -7.924
  249    H    ASP  31           H        ASP  31   3.140  -3.200  -4.895
  250    HA   ASP  31           HA       ASP  31   3.233  -4.639  -2.296
  251   1HB   ASP  31           HB2      ASP  31   3.671  -5.979  -4.310
  252   2HB   ASP  31           HB3      ASP  31   4.950  -4.848  -4.798
  253    H    LEU  32           H        LEU  32   4.172  -3.431  -0.651
  254    HA   LEU  32           HA       LEU  32   6.654  -1.960  -1.370
  255   1HB   LEU  32           HB2      LEU  32   4.821  -1.366   0.970
  256   2HB   LEU  32           HB3      LEU  32   6.267  -0.540   0.469
  257    HG   LEU  32           HG       LEU  32   4.603  -0.596  -1.856
  258   1HD1  LEU  32          HD11      LEU  32   2.501   0.340  -1.099
  259   2HD1  LEU  32          HD12      LEU  32   2.738  -1.201  -0.266
  260   3HD1  LEU  32          HD13      LEU  32   3.039   0.325   0.592
  261   1HD2  LEU  32          HD21      LEU  32   4.663   1.772  -1.657
  262   2HD2  LEU  32          HD22      LEU  32   5.055   1.677   0.082
  263   3HD2  LEU  32          HD23      LEU  32   6.223   1.118  -1.142
  264    H    THR  33           H        THR  33   5.711  -2.867   1.884
  265    HA   THR  33           HA       THR  33   6.610  -4.058   3.435
  266    HB   THR  33           HB       THR  33   6.261  -5.825   1.465
  267    HG1  THR  33           HG1      THR  33   5.560  -5.917   3.683
  268   1HG2  THR  33          HG21      THR  33   8.958  -6.499   2.662
  269   2HG2  THR  33          HG22      THR  33   7.911  -7.587   1.736
  270   3HG2  THR  33          HG23      THR  33   8.586  -6.159   0.942
  271    H    LYS  34           H        LYS  34   9.093  -3.942   0.830
  272    HA   LYS  34           HA       LYS  34  11.354  -3.864   2.648
  273   1HB   LYS  34           HB2      LYS  34  10.978  -3.186  -0.296
  274   2HB   LYS  34           HB3      LYS  34  12.548  -3.227   0.513
  275   1HG   LYS  34           HG2      LYS  34  12.665  -5.483   0.505
  276   2HG   LYS  34           HG3      LYS  34  10.987  -5.690   0.999
  277   1HD   LYS  34           HD2      LYS  34  10.241  -5.220  -1.365
  278   2HD   LYS  34           HD3      LYS  34  11.936  -5.029  -1.823
  279   1HE   LYS  34           HE2      LYS  34  11.257  -7.233  -2.486
  280   2HE   LYS  34           HE3      LYS  34  12.382  -7.404  -1.132
  281   1HZ   LYS  34           HZ1      LYS  34  10.461  -7.744   0.301
  282   2HZ   LYS  34           HZ2      LYS  34   9.433  -7.562  -0.976
  283   3HZ   LYS  34           HZ3      LYS  34  10.468  -8.837  -0.923
  284    H    PHE  35           H        PHE  35   8.991  -1.612   1.498
  285    HA   PHE  35           HA       PHE  35  10.665   0.799   1.897
  286   1HB   PHE  35           HB2      PHE  35   8.858   0.315   0.006
  287   2HB   PHE  35           HB3      PHE  35   7.737   0.683   1.285
  288    HD1  PHE  35           HD1      PHE  35  10.922   2.195  -0.057
  289    HD2  PHE  35           HD2      PHE  35   6.893   2.882   1.329
  290    HE1  PHE  35           HE1      PHE  35  11.228   4.617  -0.374
  291    HE2  PHE  35           HE2      PHE  35   7.172   5.304   0.910
  292    HZ   PHE  35           HZ       PHE  35   9.352   6.189   0.098
  293    H    LEU  36           H        LEU  36   8.978  -1.331   3.966
  294    HA   LEU  36           HA       LEU  36   7.251   0.415   5.348
  295   1HB   LEU  36           HB2      LEU  36   8.843  -2.003   6.267
  296   2HB   LEU  36           HB3      LEU  36   7.594  -1.229   7.237
  297    HG   LEU  36           HG       LEU  36   7.054  -2.273   4.458
  298   1HD1  LEU  36          HD11      LEU  36   6.091  -4.294   5.687
  299   2HD1  LEU  36          HD12      LEU  36   7.825  -4.118   6.036
  300   3HD1  LEU  36          HD13      LEU  36   6.625  -3.569   7.218
  301   1HD2  LEU  36          HD21      LEU  36   5.185  -1.536   6.728
  302   2HD2  LEU  36          HD22      LEU  36   5.391  -0.724   5.154
  303   3HD2  LEU  36          HD23      LEU  36   4.714  -2.354   5.217
  304    H    GLU  37           H        GLU  37  10.610  -0.484   6.121
  305    HA   GLU  37           HA       GLU  37  10.864   1.305   8.326
  306   1HB   GLU  37           HB2      GLU  37  12.268  -0.795   7.569
  307   2HB   GLU  37           HB3      GLU  37  13.221   0.392   6.669
  308   1HG   GLU  37           HG2      GLU  37  13.715   1.570   8.786
  309   2HG   GLU  37           HG3      GLU  37  12.618   0.487   9.664
  310    H    GLU  38           H        GLU  38  11.461   1.648   4.852
  311    HA   GLU  38           HA       GLU  38  12.811   4.150   4.834
  312   1HB   GLU  38           HB2      GLU  38  11.007   2.849   2.767
  313   2HB   GLU  38           HB3      GLU  38  12.098   4.161   2.450
  314   1HG   GLU  38           HG2      GLU  38  13.989   2.652   3.310
  315   2HG   GLU  38           HG3      GLU  38  12.845   1.307   3.170
  316    H    HIS  39           HN       HIS  39   9.400   3.258   4.670
  317    HA   HIS  39           HA       HIS  39   8.303   5.634   3.807
  318   1HB   HIS  39           HB2      HIS  39   7.107   3.526   3.872
  319   2HB   HIS  39           HB3      HIS  39   7.125   3.522   5.638
  320    HD1  HIS  39           HND      HIS  39   4.889   4.279   6.620
  321    HD2  HIS  39           HD       HIS  39   5.749   5.864   2.807
  322    HE1  HIS  39           HE       HIS  39   2.850   5.621   5.896
  323    HA   PRO  40           HA       PRO  40   9.309   8.062   7.448
  324   1HB   PRO  40           HB2      PRO  40   8.166  10.475   6.817
  325   2HB   PRO  40           HB3      PRO  40   9.649   9.843   6.041
  326   1HG   PRO  40           HG2      PRO  40   6.812   9.636   5.027
  327   2HG   PRO  40           HG3      PRO  40   8.249  10.201   4.120
  328   1HD   PRO  40           HD2      PRO  40   7.346   7.669   3.888
  329   2HD   PRO  40           HD3      PRO  40   9.109   7.977   3.963
  330    H    GLY  41           H        GLY  41   5.970   7.555   6.363
  331   1HA   GLY  41           HA1      GLY  41   4.693   8.403   8.821
  332   2HA   GLY  41           HA2      GLY  41   4.031   7.325   7.584
  333    H    GLY  42           H        GLY  42   6.807   5.754   8.143
  334   1HA   GLY  42           HA1      GLY  42   7.601   4.392   9.855
  335   2HA   GLY  42           HA2      GLY  42   6.032   4.398  10.672
  336    H    GLU  43           H        GLU  43   7.000   2.066  10.481
  337    HA   GLU  43           HA       GLU  43   6.270   0.571   8.071
  338   1HB   GLU  43           HB2      GLU  43   7.059  -1.347   9.300
  339   2HB   GLU  43           HB3      GLU  43   8.276  -0.064   9.382
  340   1HG   GLU  43           HG2      GLU  43   6.427  -1.043  11.614
  341   2HG   GLU  43           HG3      GLU  43   8.144  -1.350  11.423
  342    H    ALA  44           H        ALA  44   5.323   1.009  11.452
  343    HA   ALA  44           HA       ALA  44   3.303  -0.835  11.679
  344   1HB   ALA  44           HB1      ALA  44   3.385   1.932  12.955
  345   2HB   ALA  44           HB2      ALA  44   2.432   0.542  13.527
  346   3HB   ALA  44           HB3      ALA  44   4.206   0.472  13.546
  347    H    VAL  45           H        VAL  45   2.850   2.581  10.566
  348    HA   VAL  45           HA       VAL  45   0.085   2.440  10.226
  349    HB   VAL  45           HB       VAL  45   0.251   4.394   8.919
  350   1HG1  VAL  45          HG11      VAL  45   0.564   4.570  11.375
  351   2HG1  VAL  45          HG12      VAL  45   2.328   4.496  11.137
  352   3HG1  VAL  45          HG13      VAL  45   1.404   5.847  10.473
  353   1HG2  VAL  45          HG21      VAL  45   2.445   5.380   8.335
  354   2HG2  VAL  45          HG22      VAL  45   3.217   3.857   8.844
  355   3HG2  VAL  45          HG23      VAL  45   2.107   3.888   7.450
  356    H    LEU  46           H        LEU  46   2.683   1.628   7.889
  357    HA   LEU  46           HA       LEU  46   0.830   1.055   5.740
  358   1HB   LEU  46           HB2      LEU  46   3.761   0.610   6.281
  359   2HB   LEU  46           HB3      LEU  46   2.996  -0.361   5.018
  360    HG   LEU  46           HG       LEU  46   2.836   2.676   5.048
  361   1HD1  LEU  46          HD11      LEU  46   5.206   1.923   4.875
  362   2HD1  LEU  46          HD12      LEU  46   4.763   0.866   3.514
  363   3HD1  LEU  46          HD13      LEU  46   4.623   2.624   3.352
  364   1HD2  LEU  46          HD21      LEU  46   2.379   2.255   2.590
  365   2HD2  LEU  46          HD22      LEU  46   2.319   0.522   2.943
  366   3HD2  LEU  46          HD23      LEU  46   1.111   1.620   3.644
  367    H    ARG  47           H        ARG  47   2.417  -0.880   8.280
  368    HA   ARG  47           HA       ARG  47   1.623  -3.418   7.216
  369   1HB   ARG  47           HB2      ARG  47   3.510  -3.084   8.714
  370   2HB   ARG  47           HB3      ARG  47   2.426  -2.637  10.041
  371   1HG   ARG  47           HG2      ARG  47   1.504  -4.822  10.190
  372   2HG   ARG  47           HG3      ARG  47   2.118  -5.310   8.603
  373   1HD   ARG  47           HD2      ARG  47   3.927  -4.573  10.937
  374   2HD   ARG  47           HD3      ARG  47   3.375  -6.232  10.611
  375    HE   ARG  47           HE       ARG  47   4.435  -5.266   8.198
  376   1HH1  ARG  47          HH11      ARG  47   7.735  -6.423   8.625
  377   2HH1  ARG  47          HH12      ARG  47   6.527  -5.943   7.479
  378   1HH2  ARG  47          HH21      ARG  47   7.203  -6.455  10.944
  379   2HH2  ARG  47          HH22      ARG  47   5.610  -5.964  11.437
  380    H    ALA  48           H        ALA  48   0.161  -1.150   9.510
  381    HA   ALA  48           HA       ALA  48  -2.067  -2.724  10.332
  382   1HB   ALA  48           HB1      ALA  48  -1.590   0.271  10.103
  383   2HB   ALA  48           HB2      ALA  48  -2.994  -0.458  10.928
  384   3HB   ALA  48           HB3      ALA  48  -1.340  -0.747  11.525
  385    H    GLN  49           H        GLN  49  -1.758  -0.229   7.718
  386    HA   GLN  49           HA       GLN  49  -4.400  -0.741   6.668
  387   1HB   GLN  49           HB2      GLN  49  -1.985   0.942   6.014
  388   2HB   GLN  49           HB3      GLN  49  -3.110   0.612   4.715
  389   1HG   GLN  49           HG2      GLN  49  -3.638   2.694   5.940
  390   2HG   GLN  49           HG3      GLN  49  -4.965   1.527   5.889
  391   1HE2  GLN  49          HE21      GLN  49  -2.122   1.992   8.139
  392   2HE2  GLN  49          HE22      GLN  49  -3.150   2.079   9.561
  393    H    ALA  50           H        ALA  50  -1.384  -2.381   6.257
  394    HA   ALA  50           HA       ALA  50  -1.500  -3.316   3.705
  395   1HB   ALA  50           HB1      ALA  50  -0.797  -5.125   6.035
  396   2HB   ALA  50           HB2      ALA  50  -0.156  -5.138   4.375
  397   3HB   ALA  50           HB3      ALA  50   0.248  -3.811   5.461
  398    H    GLY  51           H        GLY  51  -2.686  -4.753   2.532
  399   1HA   GLY  51           HA1      GLY  51  -3.817  -6.844   2.381
  400   2HA   GLY  51           HA2      GLY  51  -4.731  -6.509   3.862
  401    H    GLY  52           H        GLY  52  -5.155  -3.573   2.802
  402   1HA   GLY  52           HA1      GLY  52  -6.247  -3.257   0.388
  403   2HA   GLY  52           HA2      GLY  52  -7.494  -4.277   1.141
  404    H    ASP  53           H        ASP  53  -8.643  -2.236   0.539
  405    HA   ASP  53           HA       ASP  53  -9.374  -0.110   0.883
  406   1HB   ASP  53           HB2      ASP  53 -10.921  -1.753   1.929
  407   2HB   ASP  53           HB3      ASP  53 -10.120  -1.481   3.488
  408    H    ALA  54           H        ALA  54  -6.943   0.578   1.065
  409    HA   ALA  54           HA       ALA  54  -6.658   2.146   3.618
  410   1HB   ALA  54           HB1      ALA  54  -4.285   2.192   3.160
  411   2HB   ALA  54           HB2      ALA  54  -4.866   0.503   3.318
  412   3HB   ALA  54           HB3      ALA  54  -4.504   1.174   1.713
  413    H    THR  55           H        THR  55  -7.907   2.475   0.648
  414    HA   THR  55           HA       THR  55  -6.463   4.666  -0.494
  415    HB   THR  55           HB       THR  55  -9.428   3.948  -0.695
  416    HG1  THR  55           HG1      THR  55  -7.588   2.383  -1.360
  417   1HG2  THR  55          HG21      THR  55  -9.234   5.108  -2.904
  418   2HG2  THR  55          HG22      THR  55  -8.953   6.220  -1.553
  419   3HG2  THR  55          HG23      THR  55  -7.574   5.591  -2.477
  420    H    ALA  56           H        ALA  56  -9.276   4.478   1.725
  421    HA   ALA  56           HA       ALA  56  -9.629   7.257   2.106
  422   1HB   ALA  56           HB1      ALA  56 -10.157   4.941   4.036
  423   2HB   ALA  56           HB2      ALA  56 -10.819   6.584   4.176
  424   3HB   ALA  56           HB3      ALA  56 -11.283   5.556   2.806
  425    H    ASN  57           H        ASN  57  -7.667   4.920   4.058
  426    HA   ASN  57           HA       ASN  57  -6.689   6.834   5.891
  427   1HB   ASN  57           HB2      ASN  57  -5.391   4.280   4.861
  428   2HB   ASN  57           HB3      ASN  57  -4.811   5.220   6.243
  429   1HD2  ASN  57          HD21      ASN  57  -5.959   5.144   8.250
  430   2HD2  ASN  57          HD22      ASN  57  -7.243   3.971   8.479
  431    H    PHE  58           H        PHE  58  -5.165   5.623   2.876
  432    HA   PHE  58           HA       PHE  58  -2.847   7.154   2.826
  433   1HB   PHE  58           HB2      PHE  58  -3.418   5.355   1.250
  434   2HB   PHE  58           HB3      PHE  58  -4.653   6.361   0.509
  435    HD1  PHE  58           HD1      PHE  58  -1.052   5.719   0.787
  436    HD2  PHE  58           HD2      PHE  58  -4.048   8.286  -0.949
  437    HE1  PHE  58           HE1      PHE  58   0.606   6.541  -0.880
  438    HE2  PHE  58           HE2      PHE  58  -2.419   9.093  -2.590
  439    HZ   PHE  58           HZ       PHE  58  -0.080   8.186  -2.600
  440    H    GLU  59           H        GLU  59  -6.081   8.069   1.511
  441    HA   GLU  59           HA       GLU  59  -5.254  10.713   0.762
  442   1HB   GLU  59           HB2      GLU  59  -7.972   9.443   1.134
  443   2HB   GLU  59           HB3      GLU  59  -7.708  11.050   0.434
  444   1HG   GLU  59           HG2      GLU  59  -6.428   8.528  -0.727
  445   2HG   GLU  59           HG3      GLU  59  -7.987   9.170  -1.230
  446    H    ALA  60           H        ALA  60  -6.721   9.386   3.716
  447    HA   ALA  60           HA       ALA  60  -7.590  11.809   4.868
  448   1HB   ALA  60           HB1      ALA  60  -8.212   9.600   5.764
  449   2HB   ALA  60           HB2      ALA  60  -6.534   9.325   6.289
  450   3HB   ALA  60           HB3      ALA  60  -7.491  10.626   7.016
  451    H    VAL  61           H        VAL  61  -4.407  10.150   5.104
  452    HA   VAL  61           HA       VAL  61  -3.203  12.477   6.444
  453    HB   VAL  61           HB       VAL  61  -2.193  10.348   6.836
  454   1HG1  VAL  61          HG11      VAL  61  -2.634   9.163   4.695
  455   2HG1  VAL  61          HG12      VAL  61  -1.427  10.193   3.896
  456   3HG1  VAL  61          HG13      VAL  61  -0.949   9.094   5.187
  457   1HG2  VAL  61          HG21      VAL  61   0.144  10.928   6.269
  458   2HG2  VAL  61          HG22      VAL  61  -0.399  12.181   5.170
  459   3HG2  VAL  61          HG23      VAL  61  -0.750  12.325   6.904
  460    H    GLY  62           H        GLY  62  -3.302  11.163   3.094
  461   1HA   GLY  62           HA1      GLY  62  -3.251  12.373   1.113
  462   2HA   GLY  62           HA2      GLY  62  -2.821  13.866   1.968
  463    H    HIS  63           HN       HIS  63  -1.413  12.973  -0.313
  464    HA   HIS  63           HA       HIS  63   1.300  12.430   0.717
  465   1HB   HIS  63           HB2      HIS  63  -0.327  10.663  -1.160
  466   2HB   HIS  63           HB3      HIS  63   1.432  10.693  -1.200
  467    HD1  HIS  63           HND      HIS  63  -1.391   9.575   1.251
  468    HD2  HIS  63           HD       HIS  63   2.763   9.443   0.615
  469    HE1  HIS  63           HE       HIS  63  -0.463   7.925   2.926
  470    H    SER  64           H        SER  64   2.810  13.489  -0.583
  471    HA   SER  64           HA       SER  64   1.708  15.581  -2.258
  472   1HB   SER  64           HB2      SER  64   3.630  15.897  -0.706
  473   2HB   SER  64           HB3      SER  64   4.620  14.853  -1.733
  474    HG   SER  64           HG       SER  64   4.774  17.162  -2.179
  475    H    THR  65           H        THR  65   3.253  16.021  -4.274
  476    HA   THR  65           HA       THR  65   2.255  14.239  -6.327
  477    HB   THR  65           HB       THR  65   3.829  15.617  -7.804
  478    HG1  THR  65           HG1      THR  65   4.284  17.198  -5.498
  479   1HG2  THR  65          HG21      THR  65   2.605  17.731  -7.558
  480   2HG2  THR  65          HG22      THR  65   1.494  16.361  -7.386
  481   3HG2  THR  65          HG23      THR  65   2.029  17.254  -5.948
  482    H    ASP  66           H        ASP  66   5.601  14.919  -5.345
  483    HA   ASP  66           HA       ASP  66   7.037  12.881  -6.503
  484   1HB   ASP  66           HB2      ASP  66   7.855  14.631  -4.844
  485   2HB   ASP  66           HB3      ASP  66   7.199  13.683  -3.526
  486    H    ALA  67           H        ALA  67   5.397  12.598  -3.400
  487    HA   ALA  67           HA       ALA  67   5.798   9.838  -2.999
  488   1HB   ALA  67           HB1      ALA  67   3.991   9.945  -1.351
  489   2HB   ALA  67           HB2      ALA  67   5.081  11.340  -1.223
  490   3HB   ALA  67           HB3      ALA  67   3.490  11.526  -1.983
  491    H    ARG  68           H        ARG  68   3.061  11.480  -4.611
  492    HA   ARG  68           HA       ARG  68   1.481   9.129  -5.136
  493   1HB   ARG  68           HB2      ARG  68   1.614  11.881  -6.392
  494   2HB   ARG  68           HB3      ARG  68   0.436  10.658  -6.893
  495   1HG   ARG  68           HG2      ARG  68  -0.646  10.640  -4.799
  496   2HG   ARG  68           HG3      ARG  68   0.688  11.413  -3.969
  497   1HD   ARG  68           HD2      ARG  68  -1.021  12.999  -4.102
  498   2HD   ARG  68           HD3      ARG  68   0.200  13.551  -5.219
  499    HE   ARG  68           HE       ARG  68  -2.536  12.532  -5.697
  500   1HH1  ARG  68          HH11      ARG  68  -2.619  13.921  -8.927
  501   2HH1  ARG  68          HH12      ARG  68  -3.560  13.381  -7.575
  502   1HH2  ARG  68          HH21      ARG  68  -0.234  13.893  -8.777
  503   2HH2  ARG  68          HH22      ARG  68   0.482  13.269  -7.321
  504    H    GLU  69           H        GLU  69   4.251  10.640  -6.764
  505    HA   GLU  69           HA       GLU  69   3.996   8.975  -9.162
  506   1HB   GLU  69           HB2      GLU  69   5.925  10.978  -8.084
  507   2HB   GLU  69           HB3      GLU  69   6.380  10.026  -9.482
  508   1HG   GLU  69           HG2      GLU  69   3.849  11.733  -9.249
  509   2HG   GLU  69           HG3      GLU  69   5.336  12.229 -10.060
  510    H    LEU  70           H        LEU  70   6.014   9.057  -6.253
  511    HA   LEU  70           HA       LEU  70   7.604   6.852  -6.623
  512   1HB   LEU  70           HB2      LEU  70   7.806   8.561  -4.863
  513   2HB   LEU  70           HB3      LEU  70   6.391   7.874  -4.065
  514    HG   LEU  70           HG       LEU  70   7.465   6.276  -3.023
  515   1HD1  LEU  70          HD11      LEU  70   9.254   6.006  -5.413
  516   2HD1  LEU  70          HD12      LEU  70   9.459   5.078  -3.901
  517   3HD1  LEU  70          HD13      LEU  70   7.933   4.963  -4.799
  518   1HD2  LEU  70          HD21      LEU  70   9.721   6.929  -2.333
  519   2HD2  LEU  70          HD22      LEU  70   9.856   8.023  -3.725
  520   3HD2  LEU  70          HD23      LEU  70   8.674   8.359  -2.441
  521    H    SER  71           H        SER  71   4.518   6.921  -4.921
  522    HA   SER  71           HA       SER  71   3.620   4.379  -4.648
  523   1HB   SER  71           HB2      SER  71   1.968   6.361  -6.217
  524   2HB   SER  71           HB3      SER  71   1.410   4.989  -5.272
  525    HG   SER  71           HG       SER  71   2.767   7.265  -4.228
  526    H    LYS  72           H        LYS  72   3.761   5.899  -7.957
  527    HA   LYS  72           HA       LYS  72   2.672   3.610  -9.263
  528   1HB   LYS  72           HB2      LYS  72   4.482   5.728 -10.460
  529   2HB   LYS  72           HB3      LYS  72   3.456   4.579 -11.319
  530   1HG   LYS  72           HG2      LYS  72   1.434   5.582 -10.219
  531   2HG   LYS  72           HG3      LYS  72   2.491   6.797  -9.464
  532   1HD   LYS  72           HD2      LYS  72   3.293   7.516 -11.672
  533   2HD   LYS  72           HD3      LYS  72   2.226   6.336 -12.469
  534   1HE   LYS  72           HE2      LYS  72   0.238   7.502 -11.709
  535   2HE   LYS  72           HE3      LYS  72   1.187   8.506 -10.592
  536   1HZ   LYS  72           HZ1      LYS  72   2.210   9.589 -12.320
  537   2HZ   LYS  72           HZ2      LYS  72   1.521   8.664 -13.512
  538   3HZ   LYS  72           HZ3      LYS  72   0.612   9.702 -12.590
  539    H    THR  73           H        THR  73   5.926   4.407  -8.207
  540    HA   THR  73           HA       THR  73   7.325   2.477  -9.862
  541    HB   THR  73           HB       THR  73   8.210   4.005  -7.373
  542    HG1  THR  73           HG1      THR  73   7.583   5.259  -9.228
  543   1HG2  THR  73          HG21      THR  73   9.747   2.209  -7.621
  544   2HG2  THR  73          HG22      THR  73   9.831   2.438  -9.389
  545   3HG2  THR  73          HG23      THR  73  10.494   3.664  -8.287
  546    H    PHE  74           H        PHE  74   5.233   2.134  -7.179
  547    HA   PHE  74           HA       PHE  74   6.385  -0.548  -6.514
  548   1HB   PHE  74           HB2      PHE  74   4.776   1.411  -4.830
  549   2HB   PHE  74           HB3      PHE  74   5.015  -0.280  -4.411
  550    HD1  PHE  74           HD1      PHE  74   7.452  -1.183  -4.345
  551    HD2  PHE  74           HD2      PHE  74   6.368   2.974  -3.923
  552    HE1  PHE  74           HE1      PHE  74   9.570  -0.752  -3.136
  553    HE2  PHE  74           HE2      PHE  74   8.422   3.354  -2.567
  554    HZ   PHE  74           HZ       PHE  74  10.066   1.523  -2.274
  555    H    ILE  75           H        ILE  75   4.174   0.860  -8.523
  556    HA   ILE  75           HA       ILE  75   1.789  -0.550  -7.754
  557    HB   ILE  75           HB       ILE  75   2.252   1.475  -9.389
  558   1HG1  ILE  75          HG12      ILE  75   0.046   0.925  -8.662
  559   2HG1  ILE  75          HG13      ILE  75   0.080   1.298 -10.386
  560   1HG2  ILE  75          HG21      ILE  75   2.107  -0.808 -11.387
  561   2HG2  ILE  75          HG22      ILE  75   2.061   0.929 -11.753
  562   3HG2  ILE  75          HG23      ILE  75   3.525   0.199 -11.074
  563   1HD1  ILE  75          HD11      ILE  75   0.028  -1.186 -10.838
  564   2HD1  ILE  75          HD12      ILE  75  -0.110  -1.383  -9.071
  565   3HD1  ILE  75          HD13      ILE  75  -1.388  -0.558  -9.974
  566    H    ILE  76           H        ILE  76   1.245  -2.686  -8.102
  567    HA   ILE  76           HA       ILE  76   3.067  -4.360  -9.833
  568    HB   ILE  76           HB       ILE  76   2.326  -6.220  -8.325
  569   1HG1  ILE  76          HG12      ILE  76   1.509  -4.034  -6.359
  570   2HG1  ILE  76          HG13      ILE  76   0.333  -4.802  -7.407
  571   1HG2  ILE  76          HG21      ILE  76   4.539  -5.028  -8.212
  572   2HG2  ILE  76          HG22      ILE  76   3.873  -3.992  -6.938
  573   3HG2  ILE  76          HG23      ILE  76   4.027  -5.747  -6.691
  574   1HD1  ILE  76          HD11      ILE  76   2.127  -6.621  -5.855
  575   2HD1  ILE  76          HD12      ILE  76   0.878  -5.716  -4.986
  576   3HD1  ILE  76          HD13      ILE  76   0.427  -6.798  -6.326
  577    H    GLY  77           H        GLY  77  -0.178  -3.244  -9.466
  578   1HA   GLY  77           HA1      GLY  77  -1.264  -3.987 -11.803
  579   2HA   GLY  77           HA2      GLY  77  -1.475  -5.457 -10.820
  580    H    GLU  78           H        GLU  78  -3.725  -4.769 -11.171
  581    HA   GLU  78           HA       GLU  78  -4.627  -2.575  -9.414
  582   1HB   GLU  78           HB2      GLU  78  -5.342  -3.309 -12.251
  583   2HB   GLU  78           HB3      GLU  78  -6.567  -2.627 -11.193
  584   1HG   GLU  78           HG2      GLU  78  -5.809  -0.698 -12.108
  585   2HG   GLU  78           HG3      GLU  78  -4.771  -0.775 -10.687
  586    H    LEU  79           H        LEU  79  -6.881  -2.713  -8.825
  587    HA   LEU  79           HA       LEU  79  -7.397  -5.113  -7.363
  588   1HB   LEU  79           HB2      LEU  79  -8.108  -2.862  -6.644
  589   2HB   LEU  79           HB3      LEU  79  -9.074  -2.707  -8.121
  590    HG   LEU  79           HG       LEU  79 -10.475  -4.681  -7.331
  591   1HD1  LEU  79          HD11      LEU  79  -8.859  -4.203  -4.802
  592   2HD1  LEU  79          HD12      LEU  79 -10.357  -5.149  -4.857
  593   3HD1  LEU  79          HD13      LEU  79  -8.920  -5.717  -5.723
  594   1HD2  LEU  79          HD21      LEU  79 -11.864  -3.325  -6.116
  595   2HD2  LEU  79          HD22      LEU  79 -10.528  -2.433  -5.346
  596   3HD2  LEU  79          HD23      LEU  79 -10.927  -2.184  -7.065
  597    H    HIS  80           H        HIS  80  -8.611  -6.855  -7.919
  598    HA   HIS  80           HA       HIS  80  -9.373  -7.449 -10.564
  599   1HB   HIS  80           HB2      HIS  80  -9.082  -8.962  -8.483
  600   2HB   HIS  80           HB3      HIS  80 -10.790  -8.672  -8.193
  601    HD1  HIS  80           HD1      HIS  80 -12.404 -10.044  -9.889
  602    HD2  HIS  80           HD2      HIS  80  -8.275 -10.374 -10.594
  603    HE1  HIS  80           HE1      HIS  80 -12.129 -11.854 -11.613
  604    HA   PRO  81           HA       PRO  81 -13.025  -4.970 -10.989
  605   1HB   PRO  81           HB2      PRO  81 -14.161  -6.086 -13.217
  606   2HB   PRO  81           HB3      PRO  81 -12.700  -5.056 -13.246
  607   1HG   PRO  81           HG2      PRO  81 -12.806  -8.091 -13.192
  608   2HG   PRO  81           HG3      PRO  81 -11.875  -7.057 -14.320
  609   1HD   PRO  81           HD2      PRO  81 -10.739  -8.151 -12.157
  610   2HD   PRO  81           HD3      PRO  81 -10.330  -6.469 -12.610
  611    H    ASP  82           H        ASP  82 -12.997  -8.270 -10.071
  612    HA   ASP  82           HA       ASP  82 -15.866  -8.729  -9.918
  613   1HB   ASP  82           HB2      ASP  82 -14.248 -10.586  -9.938
  614   2HB   ASP  82           HB3      ASP  82 -13.559  -9.999  -8.379
  615    H    ASP  83           H        ASP  83 -13.372  -7.251  -7.892
  616    HA   ASP  83           HA       ASP  83 -14.964  -7.101  -5.475
  617   1HB   ASP  83           HB2      ASP  83 -12.506  -7.152  -5.466
  618   2HB   ASP  83           HB3      ASP  83 -12.478  -5.596  -6.320
  619    H    ARG  84           H        ARG  84 -14.572  -5.079  -8.302
  620    HA   ARG  84           HA       ARG  84 -15.279  -2.568  -7.169
  621   1HB   ARG  84           HB2      ARG  84 -14.485  -3.565  -9.746
  622   2HB   ARG  84           HB3      ARG  84 -16.035  -2.774  -9.977
  623   1HG   ARG  84           HG2      ARG  84 -14.493  -1.086 -10.351
  624   2HG   ARG  84           HG3      ARG  84 -15.105  -0.773  -8.727
  625   1HD   ARG  84           HD2      ARG  84 -12.670  -0.513  -8.699
  626   2HD   ARG  84           HD3      ARG  84 -13.136  -1.912  -7.746
  627    HE   ARG  84           HE       ARG  84 -11.989  -3.306  -9.170
  628   1HH1  ARG  84          HH11      ARG  84 -10.232  -2.566 -12.153
  629   2HH1  ARG  84          HH12      ARG  84 -10.271  -3.614 -10.778
  630   1HH2  ARG  84          HH21      ARG  84 -11.506  -0.565 -12.153
  631   2HH2  ARG  84          HH22      ARG  84 -12.622  -0.298 -10.845
  632    HHA  HEM 201           HGM      HEM 201   4.462  10.995   4.917
  633    HHB  HEM 201           HDM      HEM 201   5.757   7.591  -0.401
  634    HHC  HEM 201           HAM      HEM 201   0.831   3.672   0.937
  635    HHD  HEM 201           HBM      HEM 201  -0.137   6.776   6.539
  636   1HMA  HEM 201          HM81      HEM 201   7.932   9.412   0.692
  637   2HMA  HEM 201          HM82      HEM 201   6.710   9.647  -0.573
  638   3HMA  HEM 201          HM83      HEM 201   7.231  11.014   0.393
  639   1HAA  HEM 201          HAA1      HEM 201   6.330  11.884   3.848
  640   2HAA  HEM 201          HAA2      HEM 201   6.809  12.158   2.190
  641   1HBA  HEM 201          HBA1      HEM 201   4.919  13.618   3.411
  642   2HBA  HEM 201          HBA2      HEM 201   3.861  12.344   2.804
  643   1HMB  HEM 201          HM11      HEM 201   4.869   6.330  -2.517
  644   2HMB  HEM 201          HM12      HEM 201   5.952   5.250  -1.609
  645   3HMB  HEM 201          HM13      HEM 201   4.627   4.579  -2.556
  646    HAB  HEM 201          HT2A      HEM 201   2.604   2.598  -1.118
  647   1HBB  HEM 201          HV2C      HEM 201   1.283   4.871  -2.597
  648   2HBB  HEM 201          HV2T      HEM 201   1.566   3.105  -3.152
  649   1HMC  HEM 201          HM31      HEM 201  -1.286   2.406   3.622
  650   2HMC  HEM 201          HM32      HEM 201  -2.286   3.560   2.724
  651   3HMC  HEM 201          HM33      HEM 201  -0.922   2.757   1.921
  652    HAC  HEM 201          HT4A      HEM 201  -2.591   5.448   5.334
  653   1HBC  HEM 201          HV4C      HEM 201  -0.643   3.583   6.765
  654   2HBC  HEM 201          HV4T      HEM 201  -2.119   4.467   7.502
  655   1HMD  HEM 201          HM51      HEM 201   1.631   9.086   9.035
  656   2HMD  HEM 201          HM52      HEM 201   0.040   9.131   8.236
  657   3HMD  HEM 201          HM53      HEM 201   0.885   7.588   8.495
  658   1HAD  HEM 201          HAD1      HEM 201   3.939  10.405   8.092
  659   2HAD  HEM 201          HAD2      HEM 201   3.699  11.579   6.828
  660   1HBD  HEM 201          HBD1      HEM 201   1.166  11.265   8.174
  661   2HBD  HEM 201          HBD2      HEM 201   2.443  11.444   9.373
  Start of MODEL   35
    1   1H    ALA   3           H1       ALA   3   3.866  -4.171 -17.594
    2   2H    ALA   3           H2       ALA   3   5.300  -4.950 -17.424
    3   3H    ALA   3           H3       ALA   3   4.617  -4.822 -18.937
    4    HA   ALA   3           HA       ALA   3   3.242  -6.531 -18.613
    5   1HB   ALA   3           HB1      ALA   3   5.339  -7.481 -17.618
    6   2HB   ALA   3           HB2      ALA   3   4.850  -6.860 -16.027
    7   3HB   ALA   3           HB3      ALA   3   3.887  -8.119 -16.825
    8    H    VAL   4           H        VAL   4   1.456  -7.467 -16.993
    9    HA   VAL   4           HA       VAL   4   0.736  -5.698 -14.837
   10    HB   VAL   4           HB       VAL   4  -0.139  -4.482 -16.821
   11   1HG1  VAL   4          HG11      VAL   4  -1.287  -5.398 -18.489
   12   2HG1  VAL   4          HG12      VAL   4  -0.965  -6.998 -17.810
   13   3HG1  VAL   4          HG13      VAL   4  -2.457  -6.140 -17.391
   14   1HG2  VAL   4          HG21      VAL   4  -1.212  -4.277 -14.603
   15   2HG2  VAL   4          HG22      VAL   4  -2.288  -3.962 -15.971
   16   3HG2  VAL   4          HG23      VAL   4  -2.414  -5.492 -15.094
   17    H    LYS   5           H        LYS   5  -1.122  -6.595 -13.646
   18    HA   LYS   5           HA       LYS   5  -2.388  -8.996 -14.323
   19   1HB   LYS   5           HB2      LYS   5   0.241  -9.384 -13.191
   20   2HB   LYS   5           HB3      LYS   5  -0.903  -9.761 -11.910
   21   1HG   LYS   5           HG2      LYS   5  -1.968 -11.451 -13.124
   22   2HG   LYS   5           HG3      LYS   5  -1.372 -10.899 -14.685
   23   1HD   LYS   5           HD2      LYS   5   0.840 -11.593 -12.824
   24   2HD   LYS   5           HD3      LYS   5  -0.268 -12.931 -13.104
   25   1HE   LYS   5           HE2      LYS   5   1.517 -12.987 -14.779
   26   2HE   LYS   5           HE3      LYS   5  -0.052 -12.706 -15.541
   27   1HZ   LYS   5           HZ1      LYS   5   2.024 -10.685 -15.001
   28   2HZ   LYS   5           HZ2      LYS   5   1.553 -11.253 -16.470
   29   3HZ   LYS   5           HZ3      LYS   5   0.547 -10.292 -15.590
   30    H    TYR   6           H        TYR   6  -4.295  -8.888 -13.226
   31    HA   TYR   6           HA       TYR   6  -4.553  -6.740 -11.274
   32   1HB   TYR   6           HB2      TYR   6  -6.747  -8.595 -12.179
   33   2HB   TYR   6           HB3      TYR   6  -6.835  -6.949 -11.534
   34    HD1  TYR   6           HD1      TYR   6  -6.154  -9.010 -14.523
   35    HD2  TYR   6           HD2      TYR   6  -6.426  -4.995 -12.969
   36    HE1  TYR   6           HE1      TYR   6  -6.032  -8.107 -16.829
   37    HE2  TYR   6           HE2      TYR   6  -6.327  -4.099 -15.275
   38    HH   TYR   6           HH       TYR   6  -6.330  -4.621 -17.526
   39    H    TYR   7           H        TYR   7  -5.417  -7.121  -9.086
   40    HA   TYR   7           HA       TYR   7  -5.147  -9.952  -8.137
   41   1HB   TYR   7           HB2      TYR   7  -4.279  -7.504  -6.611
   42   2HB   TYR   7           HB3      TYR   7  -4.055  -9.192  -6.170
   43    HD1  TYR   7           HD1      TYR   7  -2.561 -10.631  -7.810
   44    HD2  TYR   7           HD2      TYR   7  -2.613  -6.326  -7.750
   45    HE1  TYR   7           HE1      TYR   7  -0.399 -10.576  -9.037
   46    HE2  TYR   7           HE2      TYR   7  -0.473  -6.275  -8.937
   47    HH   TYR   7           HH       TYR   7   1.046  -7.497 -10.163
   48    H    THR   8           H        THR   8  -6.676 -10.632  -6.708
   49    HA   THR   8           HA       THR   8  -9.175  -9.133  -6.622
   50    HB   THR   8           HB       THR   8 -10.119 -11.087  -5.714
   51    HG1  THR   8           HG1      THR   8  -8.119 -12.754  -5.197
   52   1HG2  THR   8          HG21      THR   8  -9.289 -11.338  -8.087
   53   2HG2  THR   8          HG22      THR   8  -7.881 -12.219  -7.455
   54   3HG2  THR   8          HG23      THR   8  -9.510 -12.863  -7.209
   55    H    LEU   9           H        LEU   9 -10.262  -8.455  -4.612
   56    HA   LEU   9           HA       LEU   9  -8.722  -7.230  -2.691
   57   1HB   LEU   9           HB2      LEU   9 -11.493  -7.702  -3.134
   58   2HB   LEU   9           HB3      LEU   9 -11.216  -8.384  -1.630
   59    HG   LEU   9           HG       LEU   9 -10.284  -5.564  -2.289
   60   1HD1  LEU   9          HD11      LEU   9 -12.851  -6.422  -0.890
   61   2HD1  LEU   9          HD12      LEU   9 -12.254  -4.752  -1.051
   62   3HD1  LEU   9          HD13      LEU   9 -12.729  -5.667  -2.490
   63   1HD2  LEU   9          HD21      LEU   9 -10.894  -6.426   0.521
   64   2HD2  LEU   9          HD22      LEU   9  -9.367  -6.965  -0.189
   65   3HD2  LEU   9          HD23      LEU   9  -9.727  -5.241  -0.095
   66    H    GLU  10           H        GLU  10  -9.929 -10.592  -2.752
   67    HA   GLU  10           HA       GLU  10  -9.109 -11.346  -0.165
   68   1HB   GLU  10           HB2      GLU  10 -10.648 -12.577  -1.764
   69   2HB   GLU  10           HB3      GLU  10  -9.212 -13.162  -2.593
   70   1HG   GLU  10           HG2      GLU  10  -9.874 -14.859  -1.011
   71   2HG   GLU  10           HG3      GLU  10  -8.374 -14.136  -0.436
   72    H    GLU  11           H        GLU  11  -7.480 -11.967  -3.316
   73    HA   GLU  11           HA       GLU  11  -5.126 -13.072  -2.282
   74   1HB   GLU  11           HB2      GLU  11  -5.930 -11.755  -4.846
   75   2HB   GLU  11           HB3      GLU  11  -4.222 -11.665  -4.477
   76   1HG   GLU  11           HG2      GLU  11  -4.665 -13.674  -5.788
   77   2HG   GLU  11           HG3      GLU  11  -4.094 -14.106  -4.172
   78    H    ILE  12           H        ILE  12  -5.885  -9.608  -2.907
   79    HA   ILE  12           HA       ILE  12  -3.342  -8.667  -2.050
   80    HB   ILE  12           HB       ILE  12  -6.072  -7.306  -2.051
   81   1HG1  ILE  12          HG12      ILE  12  -3.813  -6.880  -4.038
   82   2HG1  ILE  12          HG13      ILE  12  -4.963  -8.186  -4.272
   83   1HG2  ILE  12          HG21      ILE  12  -4.532  -5.198  -2.170
   84   2HG2  ILE  12          HG22      ILE  12  -4.755  -5.973  -0.597
   85   3HG2  ILE  12          HG23      ILE  12  -3.274  -6.256  -1.540
   86   1HD1  ILE  12          HD11      ILE  12  -5.779  -6.303  -5.526
   87   2HD1  ILE  12          HD12      ILE  12  -6.853  -6.544  -4.157
   88   3HD1  ILE  12          HD13      ILE  12  -5.635  -5.247  -4.134
   89    H    GLN  13           H        GLN  13  -6.409  -9.162  -0.232
   90    HA   GLN  13           HA       GLN  13  -5.610  -8.350   2.321
   91   1HB   GLN  13           HB2      GLN  13  -7.674 -10.186   1.195
   92   2HB   GLN  13           HB3      GLN  13  -7.301 -10.364   2.878
   93   1HG   GLN  13           HG2      GLN  13  -7.711  -7.528   1.991
   94   2HG   GLN  13           HG3      GLN  13  -9.100  -8.592   1.793
   95   1HE2  GLN  13          HE21      GLN  13 -10.262  -7.355   3.395
   96   2HE2  GLN  13          HE22      GLN  13  -9.928  -7.634   5.097
   97    H    LYS  14           H        LYS  14  -5.110 -11.551   0.734
   98    HA   LYS  14           HA       LYS  14  -4.023 -12.830   3.011
   99   1HB   LYS  14           HB2      LYS  14  -3.379 -13.222   0.063
  100   2HB   LYS  14           HB3      LYS  14  -2.769 -14.228   1.364
  101   1HG   LYS  14           HG2      LYS  14  -5.604 -14.141   1.746
  102   2HG   LYS  14           HG3      LYS  14  -5.352 -14.289   0.007
  103   1HD   LYS  14           HD2      LYS  14  -3.603 -16.153   0.646
  104   2HD   LYS  14           HD3      LYS  14  -4.401 -16.120   2.234
  105   1HE   LYS  14           HE2      LYS  14  -6.611 -16.528   0.892
  106   2HE   LYS  14           HE3      LYS  14  -5.564 -16.801  -0.511
  107   1HZ   LYS  14           HZ1      LYS  14  -5.980 -18.874   0.412
  108   2HZ   LYS  14           HZ2      LYS  14  -4.451 -18.527   0.906
  109   3HZ   LYS  14           HZ3      LYS  14  -5.711 -18.382   1.958
  110    H    HIS  15           H        HIS  15  -2.619 -10.245   1.145
  111    HA   HIS  15           HA       HIS  15   0.154 -10.866   2.099
  112   1HB   HIS  15           HB2      HIS  15  -0.942  -9.079  -0.064
  113   2HB   HIS  15           HB3      HIS  15   0.714  -8.936   0.549
  114    HD1  HIS  15           HD1      HIS  15   2.306 -10.094  -1.090
  115    HD2  HIS  15           HD2      HIS  15  -1.438 -11.969  -0.739
  116    HE1  HIS  15           HE1      HIS  15   2.376 -12.151  -2.590
  117    H    ASN  16           H        ASN  16  -0.901 -10.423   4.259
  118    HA   ASN  16           HA       ASN  16  -0.300  -7.624   5.071
  119   1HB   ASN  16           HB2      ASN  16  -2.263  -7.646   6.593
  120   2HB   ASN  16           HB3      ASN  16  -2.682  -7.675   4.890
  121   1HD2  ASN  16          HD21      ASN  16  -4.815  -8.372   5.864
  122   2HD2  ASN  16          HD22      ASN  16  -5.007 -10.103   5.831
  123    H    ASN  17           H        ASN  17   1.669  -9.275   5.374
  124    HA   ASN  17           HA       ASN  17   1.620  -9.884   8.275
  125   1HB   ASN  17           HB2      ASN  17   1.139 -11.974   6.612
  126   2HB   ASN  17           HB3      ASN  17   2.906 -12.007   6.621
  127   1HD2  ASN  17          HD21      ASN  17   0.278 -13.341   8.116
  128   2HD2  ASN  17          HD22      ASN  17   0.945 -13.598   9.717
  129    H    SER  18           H        SER  18   3.942 -10.664   8.926
  130    HA   SER  18           HA       SER  18   5.604  -8.357   8.365
  131   1HB   SER  18           HB2      SER  18   5.180  -9.901  10.575
  132   2HB   SER  18           HB3      SER  18   6.685 -10.623  10.024
  133    HG   SER  18           HG       SER  18   7.620  -8.568  10.147
  134    H    LYS  19           H        LYS  19   5.556  -9.088   6.018
  135    HA   LYS  19           HA       LYS  19   8.014 -10.100   5.041
  136   1HB   LYS  19           HB2      LYS  19   7.257 -12.274   5.858
  137   2HB   LYS  19           HB3      LYS  19   5.711 -12.111   5.034
  138   1HG   LYS  19           HG2      LYS  19   6.587 -12.498   2.940
  139   2HG   LYS  19           HG3      LYS  19   8.198 -11.893   3.336
  140   1HD   LYS  19           HD2      LYS  19   7.158 -14.391   4.688
  141   2HD   LYS  19           HD3      LYS  19   7.784 -14.508   3.045
  142   1HE   LYS  19           HE2      LYS  19   9.414 -13.083   5.192
  143   2HE   LYS  19           HE3      LYS  19   9.416 -14.848   5.120
  144   1HZ   LYS  19           HZ1      LYS  19  10.125 -13.132   2.832
  145   2HZ   LYS  19           HZ2      LYS  19  11.212 -13.811   3.862
  146   3HZ   LYS  19           HZ3      LYS  19  10.261 -14.770   2.929
  147    H    SER  20           H        SER  20   4.484  -9.649   4.473
  148    HA   SER  20           HA       SER  20   5.165  -8.344   1.920
  149   1HB   SER  20           HB2      SER  20   3.127 -10.580   2.128
  150   2HB   SER  20           HB3      SER  20   3.486  -9.541   0.735
  151    HG   SER  20           HG       SER  20   5.809 -10.379   1.377
  152    H    THR  21           H        THR  21   4.133  -6.556   1.708
  153    HA   THR  21           HA       THR  21   1.684  -5.883   3.259
  154    HB   THR  21           HB       THR  21   4.251  -4.315   2.840
  155    HG1  THR  21           HG1      THR  21   2.861  -5.296   5.085
  156   1HG2  THR  21          HG21      THR  21   2.504  -2.824   4.506
  157   2HG2  THR  21          HG22      THR  21   3.165  -2.389   2.921
  158   3HG2  THR  21          HG23      THR  21   1.597  -3.185   3.030
  159    H    TRP  22           H        TRP  22   0.415  -6.323   1.467
  160    HA   TRP  22           HA       TRP  22   0.758  -4.512  -0.895
  161   1HB   TRP  22           HB2      TRP  22  -0.994  -6.943  -0.421
  162   2HB   TRP  22           HB3      TRP  22  -1.045  -5.906  -1.838
  163    HD1  TRP  22           HD1      TRP  22   2.486  -6.592  -0.820
  164    HE1  TRP  22           HE1      TRP  22   3.598  -7.979  -2.492
  165    HE3  TRP  22           HE3      TRP  22  -1.679  -7.991  -3.415
  166    HZ2  TRP  22           HZ2      TRP  22   2.800  -9.618  -4.847
  167    HZ3  TRP  22           HZ3      TRP  22  -1.497  -9.534  -5.309
  168    HH2  TRP  22           HH2      TRP  22   0.756 -10.271  -6.127
  169    H    LEU  23           H        LEU  23  -1.613  -3.766  -1.539
  170    HA   LEU  23           HA       LEU  23  -3.694  -3.472   0.268
  171   1HB   LEU  23           HB2      LEU  23  -3.316  -1.005   0.899
  172   2HB   LEU  23           HB3      LEU  23  -2.526  -2.236   1.836
  173    HG   LEU  23           HG       LEU  23  -0.407  -1.855   0.409
  174   1HD1  LEU  23          HD11      LEU  23  -0.411   0.555  -0.536
  175   2HD1  LEU  23          HD12      LEU  23  -1.103  -0.742  -1.522
  176   3HD1  LEU  23          HD13      LEU  23  -2.161   0.354  -0.615
  177   1HD2  LEU  23          HD21      LEU  23  -1.508   0.358   2.131
  178   2HD2  LEU  23          HD22      LEU  23  -0.554  -1.051   2.656
  179   3HD2  LEU  23          HD23      LEU  23   0.192   0.171   1.604
  180    H    ILE  24           H        ILE  24  -5.127  -1.554  -0.476
  181    HA   ILE  24           HA       ILE  24  -4.714  -1.103  -3.424
  182    HB   ILE  24           HB       ILE  24  -7.276  -1.451  -1.861
  183   1HG1  ILE  24          HG12      ILE  24  -6.540  -3.102  -4.261
  184   2HG1  ILE  24          HG13      ILE  24  -5.650  -3.427  -2.787
  185   1HG2  ILE  24          HG21      ILE  24  -8.357  -1.307  -4.134
  186   2HG2  ILE  24          HG22      ILE  24  -7.665   0.226  -3.593
  187   3HG2  ILE  24          HG23      ILE  24  -6.797  -0.764  -4.790
  188   1HD1  ILE  24          HD11      ILE  24  -8.692  -3.407  -2.911
  189   2HD1  ILE  24          HD12      ILE  24  -7.673  -4.855  -2.850
  190   3HD1  ILE  24          HD13      ILE  24  -7.699  -3.742  -1.479
  191    H    LEU  25           H        LEU  25  -4.196   0.895  -3.847
  192    HA   LEU  25           HA       LEU  25  -5.435   3.198  -2.369
  193   1HB   LEU  25           HB2      LEU  25  -2.676   2.641  -3.355
  194   2HB   LEU  25           HB3      LEU  25  -3.277   4.304  -3.406
  195    HG   LEU  25           HG       LEU  25  -3.030   4.668  -1.262
  196   1HD1  LEU  25          HD11      LEU  25  -3.112   2.937   0.499
  197   2HD1  LEU  25          HD12      LEU  25  -4.583   3.231  -0.432
  198   3HD1  LEU  25          HD13      LEU  25  -3.616   1.793  -0.759
  199   1HD2  LEU  25          HD21      LEU  25  -1.037   2.430  -1.754
  200   2HD2  LEU  25          HD22      LEU  25  -0.791   4.174  -1.969
  201   3HD2  LEU  25          HD23      LEU  25  -1.014   3.495  -0.351
  202    H    HIS  26           H        HIS  26  -7.120   3.549  -3.676
  203    HA   HIS  26           HA       HIS  26  -8.285   4.260  -5.475
  204   1HB   HIS  26           HB2      HIS  26  -5.664   5.097  -6.752
  205   2HB   HIS  26           HB3      HIS  26  -7.285   5.703  -7.095
  206    HD1  HIS  26           HD1      HIS  26  -8.350   7.369  -5.189
  207    HD2  HIS  26           HD2      HIS  26  -4.405   6.041  -4.636
  208    HE1  HIS  26           HE1      HIS  26  -7.353   8.840  -3.399
  209    H    TYR  27           H        TYR  27  -7.929   1.602  -5.449
  210    HA   TYR  27           HA       TYR  27  -8.165  -0.250  -6.703
  211   1HB   TYR  27           HB2      TYR  27  -8.333   1.483  -9.184
  212   2HB   TYR  27           HB3      TYR  27  -9.072  -0.078  -8.900
  213    HD1  TYR  27           HD1      TYR  27 -10.377   0.164  -6.295
  214    HD2  TYR  27           HD2      TYR  27  -9.998   3.143  -9.385
  215    HE1  TYR  27           HE1      TYR  27 -12.460   1.222  -5.518
  216    HE2  TYR  27           HE2      TYR  27 -12.078   4.224  -8.581
  217    HH   TYR  27           HH       TYR  27 -14.156   3.615  -7.341
  218    H    LYS  28           H        LYS  28  -5.399   1.219  -6.488
  219    HA   LYS  28           HA       LYS  28  -4.002  -0.396  -8.576
  220   1HB   LYS  28           HB2      LYS  28  -3.049   2.136  -7.248
  221   2HB   LYS  28           HB3      LYS  28  -2.290   1.240  -8.564
  222   1HG   LYS  28           HG2      LYS  28  -4.938   1.855  -9.470
  223   2HG   LYS  28           HG3      LYS  28  -4.397   3.286  -8.579
  224   1HD   LYS  28           HD2      LYS  28  -2.224   3.077 -10.011
  225   2HD   LYS  28           HD3      LYS  28  -3.144   1.867 -10.942
  226   1HE   LYS  28           HE2      LYS  28  -4.876   4.110 -10.765
  227   2HE   LYS  28           HE3      LYS  28  -3.272   4.797 -11.026
  228   1HZ   LYS  28           HZ1      LYS  28  -4.274   4.320 -13.131
  229   2HZ   LYS  28           HZ2      LYS  28  -3.090   3.192 -12.917
  230   3HZ   LYS  28           HZ3      LYS  28  -4.596   2.730 -12.727
  231    H    VAL  29           H        VAL  29  -2.839  -2.013  -7.745
  232    HA   VAL  29           HA       VAL  29  -2.455  -2.179  -4.857
  233    HB   VAL  29           HB       VAL  29  -1.693  -4.261  -6.908
  234   1HG1  VAL  29          HG11      VAL  29  -0.925  -4.503  -4.479
  235   2HG1  VAL  29          HG12      VAL  29  -2.634  -4.525  -4.014
  236   3HG1  VAL  29          HG13      VAL  29  -1.976  -5.802  -5.055
  237   1HG2  VAL  29          HG21      VAL  29  -3.978  -3.827  -7.417
  238   2HG2  VAL  29          HG22      VAL  29  -3.969  -5.236  -6.357
  239   3HG2  VAL  29          HG23      VAL  29  -4.409  -3.651  -5.696
  240    H    TYR  30           H        TYR  30  -0.556  -2.110  -3.839
  241    HA   TYR  30           HA       TYR  30   1.959  -1.554  -5.359
  242   1HB   TYR  30           HB2      TYR  30   0.779  -0.176  -2.913
  243   2HB   TYR  30           HB3      TYR  30   2.378   0.143  -3.559
  244    HD1  TYR  30           HD1      TYR  30   2.407   0.737  -6.157
  245    HD2  TYR  30           HD2      TYR  30  -1.076   1.102  -3.696
  246    HE1  TYR  30           HE1      TYR  30   1.349   2.243  -7.842
  247    HE2  TYR  30           HE2      TYR  30  -1.984   2.837  -5.281
  248    HH   TYR  30           HH       TYR  30  -1.569   4.124  -7.089
  249    H    ASP  31           H        ASP  31   3.236  -3.293  -4.942
  250    HA   ASP  31           HA       ASP  31   3.092  -4.745  -2.348
  251   1HB   ASP  31           HB2      ASP  31   3.415  -6.120  -4.363
  252   2HB   ASP  31           HB3      ASP  31   4.807  -5.115  -4.833
  253    H    LEU  32           H        LEU  32   4.043  -3.434  -0.733
  254    HA   LEU  32           HA       LEU  32   6.622  -2.152  -1.470
  255   1HB   LEU  32           HB2      LEU  32   4.952  -1.448   0.944
  256   2HB   LEU  32           HB3      LEU  32   6.399  -0.715   0.302
  257    HG   LEU  32           HG       LEU  32   4.778  -0.617  -1.924
  258   1HD1  LEU  32          HD11      LEU  32   2.957  -0.071   0.453
  259   2HD1  LEU  32          HD12      LEU  32   2.536  -0.120  -1.277
  260   3HD1  LEU  32          HD13      LEU  32   2.943  -1.599  -0.420
  261   1HD2  LEU  32          HD21      LEU  32   6.148   1.194  -1.011
  262   2HD2  LEU  32          HD22      LEU  32   4.527   1.750  -1.428
  263   3HD2  LEU  32          HD23      LEU  32   4.954   1.463   0.282
  264    H    THR  33           H        THR  33   5.694  -3.081   1.771
  265    HA   THR  33           HA       THR  33   6.607  -4.315   3.313
  266    HB   THR  33           HB       THR  33   6.123  -6.062   1.294
  267    HG1  THR  33           HG1      THR  33   5.682  -6.129   3.601
  268   1HG2  THR  33          HG21      THR  33   8.496  -6.324   0.622
  269   2HG2  THR  33          HG22      THR  33   8.894  -6.810   2.294
  270   3HG2  THR  33          HG23      THR  33   7.804  -7.783   1.296
  271    H    LYS  34           H        LYS  34   9.060  -4.257   0.689
  272    HA   LYS  34           HA       LYS  34  11.241  -4.204   2.613
  273   1HB   LYS  34           HB2      LYS  34  11.215  -5.202   0.233
  274   2HB   LYS  34           HB3      LYS  34  11.389  -3.537  -0.352
  275   1HG   LYS  34           HG2      LYS  34  13.483  -3.301   0.937
  276   2HG   LYS  34           HG3      LYS  34  13.237  -4.902   1.662
  277   1HD   LYS  34           HD2      LYS  34  13.475  -6.026  -0.441
  278   2HD   LYS  34           HD3      LYS  34  13.497  -4.514  -1.352
  279   1HE   LYS  34           HE2      LYS  34  15.548  -4.854   0.850
  280   2HE   LYS  34           HE3      LYS  34  15.762  -5.851  -0.592
  281   1HZ   LYS  34           HZ1      LYS  34  15.469  -2.917  -0.664
  282   2HZ   LYS  34           HZ2      LYS  34  16.907  -3.713  -0.691
  283   3HZ   LYS  34           HZ3      LYS  34  15.841  -3.912  -1.925
  284    H    PHE  35           H        PHE  35   8.972  -1.946   1.581
  285    HA   PHE  35           HA       PHE  35  10.762   0.416   1.895
  286   1HB   PHE  35           HB2      PHE  35   9.046  -0.038  -0.090
  287   2HB   PHE  35           HB3      PHE  35   7.886   0.456   1.117
  288    HD1  PHE  35           HD1      PHE  35  11.280   1.652  -0.055
  289    HD2  PHE  35           HD2      PHE  35   7.193   2.711   0.869
  290    HE1  PHE  35           HE1      PHE  35  11.738   3.984  -0.691
  291    HE2  PHE  35           HE2      PHE  35   7.640   5.032   0.137
  292    HZ   PHE  35           HZ       PHE  35   9.911   5.679  -0.650
  293    H    LEU  36           H        LEU  36   8.945  -1.681   3.889
  294    HA   LEU  36           HA       LEU  36   7.293   0.124   5.289
  295   1HB   LEU  36           HB2      LEU  36   8.853  -2.329   6.211
  296   2HB   LEU  36           HB3      LEU  36   7.661  -1.501   7.219
  297    HG   LEU  36           HG       LEU  36   6.965  -2.558   4.468
  298   1HD1  LEU  36          HD11      LEU  36   6.849  -3.910   7.219
  299   2HD1  LEU  36          HD12      LEU  36   5.948  -4.515   5.816
  300   3HD1  LEU  36          HD13      LEU  36   7.718  -4.494   5.793
  301   1HD2  LEU  36          HD21      LEU  36   4.681  -2.537   5.346
  302   2HD2  LEU  36          HD22      LEU  36   5.260  -1.790   6.852
  303   3HD2  LEU  36          HD23      LEU  36   5.424  -0.937   5.291
  304    H    GLU  37           H        GLU  37  10.643  -0.881   6.185
  305    HA   GLU  37           HA       GLU  37  10.904   1.040   8.243
  306   1HB   GLU  37           HB2      GLU  37  13.311   0.634   8.068
  307   2HB   GLU  37           HB3      GLU  37  12.376  -0.859   8.133
  308   1HG   GLU  37           HG2      GLU  37  12.680  -1.203   5.700
  309   2HG   GLU  37           HG3      GLU  37  13.533   0.347   5.573
  310    H    GLU  38           H        GLU  38  11.483   1.278   4.773
  311    HA   GLU  38           HA       GLU  38  12.768   3.827   4.748
  312   1HB   GLU  38           HB2      GLU  38  11.107   2.446   2.626
  313   2HB   GLU  38           HB3      GLU  38  12.168   3.794   2.352
  314   1HG   GLU  38           HG2      GLU  38  13.984   2.190   3.508
  315   2HG   GLU  38           HG3      GLU  38  12.910   0.927   2.896
  316    H    HIS  39           HN       HIS  39   9.363   2.831   4.695
  317    HA   HIS  39           HA       HIS  39   8.284   5.219   3.730
  318   1HB   HIS  39           HB2      HIS  39   7.010   3.166   3.768
  319   2HB   HIS  39           HB3      HIS  39   7.024   3.148   5.537
  320    HD1  HIS  39           HND      HIS  39   5.062   4.339   6.698
  321    HD2  HIS  39           HD       HIS  39   5.610   5.412   2.655
  322    HE1  HIS  39           HE       HIS  39   3.133   5.801   6.088
  323    HA   PRO  40           HA       PRO  40   9.460   7.618   7.287
  324   1HB   PRO  40           HB2      PRO  40   8.370  10.068   6.669
  325   2HB   PRO  40           HB3      PRO  40   9.810   9.376   5.865
  326   1HG   PRO  40           HG2      PRO  40   6.949   9.274   4.942
  327   2HG   PRO  40           HG3      PRO  40   8.382   9.743   3.973
  328   1HD   PRO  40           HD2      PRO  40   7.316   7.263   3.840
  329   2HD   PRO  40           HD3      PRO  40   9.094   7.477   3.812
  330    H    GLY  41           H        GLY  41   6.106   6.984   6.480
  331   1HA   GLY  41           HA1      GLY  41   5.030   8.184   8.915
  332   2HA   GLY  41           HA2      GLY  41   4.182   7.141   7.768
  333    H    GLY  42           H        GLY  42   7.223   6.101   9.239
  334   1HA   GLY  42           HA1      GLY  42   7.743   4.610  10.861
  335   2HA   GLY  42           HA2      GLY  42   6.166   4.909  11.596
  336    H    GLU  43           H        GLU  43   8.094   2.534  10.189
  337    HA   GLU  43           HA       GLU  43   6.349   0.896   8.761
  338   1HB   GLU  43           HB2      GLU  43   7.753  -0.963   9.559
  339   2HB   GLU  43           HB3      GLU  43   8.612   0.360   8.792
  340   1HG   GLU  43           HG2      GLU  43   9.828   0.900  10.614
  341   2HG   GLU  43           HG3      GLU  43   8.493   0.659  11.740
  342    H    ALA  44           H        ALA  44   4.360   0.881   9.508
  343    HA   ALA  44           HA       ALA  44   3.396  -1.030  11.393
  344   1HB   ALA  44           HB1      ALA  44   4.133   0.347  13.222
  345   2HB   ALA  44           HB2      ALA  44   3.635   1.843  12.398
  346   3HB   ALA  44           HB3      ALA  44   2.418   0.706  13.016
  347    H    VAL  45           H        VAL  45   2.667   2.362  10.257
  348    HA   VAL  45           HA       VAL  45  -0.080   1.912  10.018
  349    HB   VAL  45           HB       VAL  45  -0.240   3.926   8.887
  350   1HG1  VAL  45          HG11      VAL  45   0.415   3.990  11.296
  351   2HG1  VAL  45          HG12      VAL  45   2.111   4.211  10.789
  352   3HG1  VAL  45          HG13      VAL  45   0.899   5.427  10.375
  353   1HG2  VAL  45          HG21      VAL  45   2.700   3.625   8.283
  354   2HG2  VAL  45          HG22      VAL  45   1.324   3.828   7.155
  355   3HG2  VAL  45          HG23      VAL  45   1.847   5.182   8.169
  356    H    LEU  46           H        LEU  46   2.415   1.676   7.473
  357    HA   LEU  46           HA       LEU  46   0.767   0.660   5.391
  358   1HB   LEU  46           HB2      LEU  46   3.685   0.488   6.127
  359   2HB   LEU  46           HB3      LEU  46   3.082  -0.585   4.871
  360    HG   LEU  46           HG       LEU  46   4.097   1.597   4.123
  361   1HD1  LEU  46          HD11      LEU  46   2.960   1.504   2.201
  362   2HD1  LEU  46          HD12      LEU  46   2.205   0.061   2.903
  363   3HD1  LEU  46          HD13      LEU  46   1.363   1.625   2.958
  364   1HD2  LEU  46          HD21      LEU  46   2.979   3.053   5.777
  365   2HD2  LEU  46          HD22      LEU  46   2.714   3.573   4.090
  366   3HD2  LEU  46          HD23      LEU  46   1.415   2.780   4.984
  367    H    ARG  47           H        ARG  47   2.371  -1.080   8.097
  368    HA   ARG  47           HA       ARG  47   1.667  -3.647   6.985
  369   1HB   ARG  47           HB2      ARG  47   3.549  -2.741   8.767
  370   2HB   ARG  47           HB3      ARG  47   2.410  -3.455   9.892
  371   1HG   ARG  47           HG2      ARG  47   3.335  -5.068   7.478
  372   2HG   ARG  47           HG3      ARG  47   4.488  -4.733   8.759
  373   1HD   ARG  47           HD2      ARG  47   3.463  -6.897   9.094
  374   2HD   ARG  47           HD3      ARG  47   3.099  -5.793  10.441
  375    HE   ARG  47           HE       ARG  47   0.990  -5.496   8.639
  376   1HH1  ARG  47          HH11      ARG  47  -1.020  -8.148   9.072
  377   2HH1  ARG  47          HH12      ARG  47  -0.963  -6.414   8.823
  378   1HH2  ARG  47          HH21      ARG  47   0.702  -8.987  10.647
  379   2HH2  ARG  47          HH22      ARG  47   2.232  -8.153  10.587
  380    H    ALA  48           H        ALA  48   0.131  -1.394   9.148
  381    HA   ALA  48           HA       ALA  48  -1.816  -3.227  10.270
  382   1HB   ALA  48           HB1      ALA  48  -2.801  -1.083  11.117
  383   2HB   ALA  48           HB2      ALA  48  -1.073  -1.264  11.499
  384   3HB   ALA  48           HB3      ALA  48  -1.576  -0.190  10.189
  385    H    GLN  49           H        GLN  49  -1.937  -0.525   7.853
  386    HA   GLN  49           HA       GLN  49  -4.600  -1.213   6.978
  387   1HB   GLN  49           HB2      GLN  49  -2.411   0.729   6.187
  388   2HB   GLN  49           HB3      GLN  49  -3.717   0.389   5.082
  389   1HG   GLN  49           HG2      GLN  49  -4.319   2.318   6.318
  390   2HG   GLN  49           HG3      GLN  49  -5.402   0.981   6.744
  391   1HE2  GLN  49          HE21      GLN  49  -5.965   2.427   8.618
  392   2HE2  GLN  49          HE22      GLN  49  -4.909   2.350  10.014
  393    H    ALA  50           H        ALA  50  -1.425  -2.442   6.162
  394    HA   ALA  50           HA       ALA  50  -1.663  -3.227   3.608
  395   1HB   ALA  50           HB1      ALA  50   0.347  -3.830   4.802
  396   2HB   ALA  50           HB2      ALA  50  -0.559  -4.853   5.936
  397   3HB   ALA  50           HB3      ALA  50  -0.370  -5.333   4.243
  398    H    GLY  51           H        GLY  51  -2.402  -5.011   2.466
  399   1HA   GLY  51           HA1      GLY  51  -4.015  -6.384   1.703
  400   2HA   GLY  51           HA2      GLY  51  -3.888  -7.251   3.233
  401    H    GLY  52           H        GLY  52  -5.040  -4.008   2.163
  402   1HA   GLY  52           HA1      GLY  52  -7.807  -4.593   2.555
  403   2HA   GLY  52           HA2      GLY  52  -7.142  -3.623   3.896
  404    H    ASP  53           H        ASP  53  -9.060  -2.542   2.197
  405    HA   ASP  53           HA       ASP  53  -7.889  -0.800   0.211
  406   1HB   ASP  53           HB2      ASP  53 -10.427  -0.571   1.896
  407   2HB   ASP  53           HB3      ASP  53  -9.982   0.526   0.581
  408    H    ALA  54           H        ALA  54  -6.426   0.742   0.675
  409    HA   ALA  54           HA       ALA  54  -6.641   2.128   3.342
  410   1HB   ALA  54           HB1      ALA  54  -4.268   2.324   3.417
  411   2HB   ALA  54           HB2      ALA  54  -4.707   0.595   3.216
  412   3HB   ALA  54           HB3      ALA  54  -4.085   1.507   1.844
  413    H    THR  55           H        THR  55  -7.565   2.552   0.363
  414    HA   THR  55           HA       THR  55  -6.214   4.802  -0.637
  415    HB   THR  55           HB       THR  55  -9.204   4.216  -0.902
  416    HG1  THR  55           HG1      THR  55  -8.028   2.359  -1.516
  417   1HG2  THR  55          HG21      THR  55  -7.118   5.556  -2.665
  418   2HG2  THR  55          HG22      THR  55  -8.807   5.261  -3.146
  419   3HG2  THR  55          HG23      THR  55  -8.443   6.404  -1.833
  420    H    ALA  56           H        ALA  56  -9.110   4.666   1.468
  421    HA   ALA  56           HA       ALA  56  -9.368   7.435   1.967
  422   1HB   ALA  56           HB1      ALA  56 -11.192   6.174   2.664
  423   2HB   ALA  56           HB2      ALA  56 -10.196   4.920   3.436
  424   3HB   ALA  56           HB3      ALA  56 -10.392   6.505   4.210
  425    H    ASN  57           H        ASN  57  -7.486   4.973   3.815
  426    HA   ASN  57           HA       ASN  57  -6.581   6.778   5.826
  427   1HB   ASN  57           HB2      ASN  57  -5.373   4.189   4.764
  428   2HB   ASN  57           HB3      ASN  57  -4.702   5.111   6.110
  429   1HD2  ASN  57          HD21      ASN  57  -7.173   2.771   5.255
  430   2HD2  ASN  57          HD22      ASN  57  -7.916   2.748   6.834
  431    H    PHE  58           H        PHE  58  -5.039   5.746   2.774
  432    HA   PHE  58           HA       PHE  58  -2.637   7.157   2.894
  433   1HB   PHE  58           HB2      PHE  58  -3.270   5.444   1.220
  434   2HB   PHE  58           HB3      PHE  58  -4.445   6.533   0.516
  435    HD1  PHE  58           HD1      PHE  58  -0.803   6.575   1.418
  436    HD2  PHE  58           HD2      PHE  58  -3.798   7.473  -1.537
  437    HE1  PHE  58           HE1      PHE  58   0.977   7.244  -0.183
  438    HE2  PHE  58           HE2      PHE  58  -2.024   8.060  -3.154
  439    HZ   PHE  58           HZ       PHE  58   0.378   7.990  -2.463
  440    H    GLU  59           H        GLU  59  -5.762   8.189   1.438
  441    HA   GLU  59           HA       GLU  59  -4.938  10.847   0.819
  442   1HB   GLU  59           HB2      GLU  59  -7.658   9.601   1.269
  443   2HB   GLU  59           HB3      GLU  59  -7.409  11.241   0.663
  444   1HG   GLU  59           HG2      GLU  59  -5.782   9.285  -0.844
  445   2HG   GLU  59           HG3      GLU  59  -7.491   8.867  -0.853
  446    H    ALA  60           H        ALA  60  -6.513   9.454   3.723
  447    HA   ALA  60           HA       ALA  60  -7.196  11.823   5.039
  448   1HB   ALA  60           HB1      ALA  60  -7.240  10.542   7.074
  449   2HB   ALA  60           HB2      ALA  60  -7.804   9.478   5.775
  450   3HB   ALA  60           HB3      ALA  60  -6.157   9.309   6.418
  451    H    VAL  61           H        VAL  61  -4.094  10.035   5.062
  452    HA   VAL  61           HA       VAL  61  -2.671  11.824   6.781
  453    HB   VAL  61           HB       VAL  61  -1.651  10.179   4.423
  454   1HG1  VAL  61          HG11      VAL  61   0.527  10.332   5.574
  455   2HG1  VAL  61          HG12      VAL  61  -0.019  11.899   5.022
  456   3HG1  VAL  61          HG13      VAL  61  -0.192  11.477   6.737
  457   1HG2  VAL  61          HG21      VAL  61  -0.896   8.796   6.595
  458   2HG2  VAL  61          HG22      VAL  61  -2.353   9.519   7.272
  459   3HG2  VAL  61          HG23      VAL  61  -2.440   8.521   5.805
  460    H    GLY  62           H        GLY  62  -3.197  11.854   3.252
  461   1HA   GLY  62           HA1      GLY  62  -3.505  14.078   2.226
  462   2HA   GLY  62           HA2      GLY  62  -2.052  14.630   3.068
  463    H    HIS  63           HN       HIS  63  -0.074  13.273   2.716
  464    HA   HIS  63           HA       HIS  63   1.613  12.753   1.319
  465   1HB   HIS  63           HB2      HIS  63  -0.528  11.249  -0.254
  466   2HB   HIS  63           HB3      HIS  63   1.187  11.183  -0.580
  467    HD1  HIS  63           HND      HIS  63  -1.305   9.998   2.111
  468    HD2  HIS  63           HD       HIS  63   2.701   9.613   0.869
  469    HE1  HIS  63           HE       HIS  63  -0.294   8.157   3.509
  470    H    SER  64           H        SER  64   2.252  12.911  -1.237
  471    HA   SER  64           HA       SER  64   0.991  15.294  -2.449
  472   1HB   SER  64           HB2      SER  64   3.796  15.145  -1.286
  473   2HB   SER  64           HB3      SER  64   3.498  16.136  -2.718
  474    HG   SER  64           HG       SER  64   1.746  17.118  -1.473
  475    H    THR  65           H        THR  65   2.087  15.775  -4.528
  476    HA   THR  65           HA       THR  65   1.548  13.880  -6.414
  477    HB   THR  65           HB       THR  65   2.920  15.223  -7.952
  478    HG1  THR  65           HG1      THR  65   3.668  16.849  -5.754
  479   1HG2  THR  65          HG21      THR  65   0.632  16.027  -7.130
  480   2HG2  THR  65          HG22      THR  65   1.491  17.107  -6.014
  481   3HG2  THR  65          HG23      THR  65   1.714  17.280  -7.760
  482    H    ASP  66           H        ASP  66   4.800  14.661  -5.243
  483    HA   ASP  66           HA       ASP  66   6.336  12.736  -6.376
  484   1HB   ASP  66           HB2      ASP  66   6.644  14.552  -4.263
  485   2HB   ASP  66           HB3      ASP  66   6.786  13.018  -3.406
  486    H    ALA  67           H        ALA  67   4.324  12.189  -3.468
  487    HA   ALA  67           HA       ALA  67   5.221   9.434  -3.111
  488   1HB   ALA  67           HB1      ALA  67   3.492   9.279  -1.463
  489   2HB   ALA  67           HB2      ALA  67   4.210  10.900  -1.295
  490   3HB   ALA  67           HB3      ALA  67   2.646  10.691  -2.114
  491    H    ARG  68           H        ARG  68   2.353  11.144  -4.627
  492    HA   ARG  68           HA       ARG  68   0.772   8.934  -5.356
  493   1HB   ARG  68           HB2      ARG  68   1.230  11.434  -7.031
  494   2HB   ARG  68           HB3      ARG  68  -0.116  10.345  -7.151
  495   1HG   ARG  68           HG2      ARG  68   0.350  11.810  -4.531
  496   2HG   ARG  68           HG3      ARG  68  -0.324  12.657  -5.931
  497   1HD   ARG  68           HD2      ARG  68  -2.109  10.950  -6.096
  498   2HD   ARG  68           HD3      ARG  68  -1.466  10.213  -4.598
  499    HE   ARG  68           HE       ARG  68  -1.882  12.928  -4.028
  500   1HH1  ARG  68          HH11      ARG  68  -5.122  12.450  -2.715
  501   2HH1  ARG  68          HH12      ARG  68  -3.759  13.570  -2.692
  502   1HH2  ARG  68          HH21      ARG  68  -5.229  10.708  -3.865
  503   2HH2  ARG  68          HH22      ARG  68  -3.998  10.205  -5.032
  504    H    GLU  69           H        GLU  69   3.604  10.386  -6.980
  505    HA   GLU  69           HA       GLU  69   3.461   8.714  -9.364
  506   1HB   GLU  69           HB2      GLU  69   5.074  10.937  -8.248
  507   2HB   GLU  69           HB3      GLU  69   5.959   9.878  -9.336
  508   1HG   GLU  69           HG2      GLU  69   3.225  10.948 -10.139
  509   2HG   GLU  69           HG3      GLU  69   4.682  11.933 -10.304
  510    H    LEU  70           H        LEU  70   5.397   8.911  -6.404
  511    HA   LEU  70           HA       LEU  70   7.186   6.845  -6.823
  512   1HB   LEU  70           HB2      LEU  70   7.142   8.505  -4.977
  513   2HB   LEU  70           HB3      LEU  70   5.806   7.604  -4.270
  514    HG   LEU  70           HG       LEU  70   7.235   6.446  -3.157
  515   1HD1  LEU  70          HD11      LEU  70   8.813   4.849  -3.994
  516   2HD1  LEU  70          HD12      LEU  70   7.135   4.674  -4.495
  517   3HD1  LEU  70          HD13      LEU  70   8.367   5.300  -5.652
  518   1HD2  LEU  70          HD21      LEU  70   9.649   6.807  -3.168
  519   2HD2  LEU  70          HD22      LEU  70   9.458   7.800  -4.640
  520   3HD2  LEU  70          HD23      LEU  70   8.676   8.285  -3.106
  521    H    SER  71           H        SER  71   3.905   6.609  -5.232
  522    HA   SER  71           HA       SER  71   3.871   3.875  -4.967
  523   1HB   SER  71           HB2      SER  71   1.447   5.486  -5.916
  524   2HB   SER  71           HB3      SER  71   1.466   4.015  -4.915
  525    HG   SER  71           HG       SER  71   1.201   5.986  -3.703
  526    H    LYS  72           H        LYS  72   3.024   5.728  -8.010
  527    HA   LYS  72           HA       LYS  72   2.365   3.442  -9.542
  528   1HB   LYS  72           HB2      LYS  72   3.649   6.046 -10.470
  529   2HB   LYS  72           HB3      LYS  72   3.173   4.746 -11.520
  530   1HG   LYS  72           HG2      LYS  72   0.815   5.014 -10.201
  531   2HG   LYS  72           HG3      LYS  72   1.501   6.595  -9.843
  532   1HD   LYS  72           HD2      LYS  72   0.412   7.116 -11.781
  533   2HD   LYS  72           HD3      LYS  72   1.971   6.701 -12.469
  534   1HE   LYS  72           HE2      LYS  72  -0.438   4.806 -12.177
  535   2HE   LYS  72           HE3      LYS  72  -0.078   5.711 -13.651
  536   1HZ   LYS  72           HZ1      LYS  72   0.692   3.345 -13.559
  537   2HZ   LYS  72           HZ2      LYS  72   1.816   4.450 -14.022
  538   3HZ   LYS  72           HZ3      LYS  72   1.850   3.817 -12.504
  539    H    THR  73           H        THR  73   5.586   4.723  -8.699
  540    HA   THR  73           HA       THR  73   7.080   2.920 -10.399
  541    HB   THR  73           HB       THR  73   7.757   4.728  -8.078
  542    HG1  THR  73           HG1      THR  73   7.625   5.481 -10.198
  543   1HG2  THR  73          HG21      THR  73  10.106   4.102  -8.223
  544   2HG2  THR  73          HG22      THR  73   9.122   2.820  -7.511
  545   3HG2  THR  73          HG23      THR  73   9.679   2.677  -9.197
  546    H    PHE  74           H        PHE  74   5.410   2.472  -7.419
  547    HA   PHE  74           HA       PHE  74   6.660  -0.200  -6.911
  548   1HB   PHE  74           HB2      PHE  74   4.981   1.716  -5.275
  549   2HB   PHE  74           HB3      PHE  74   4.934   0.007  -4.914
  550    HD1  PHE  74           HD1      PHE  74   6.530  -1.003  -3.565
  551    HD2  PHE  74           HD2      PHE  74   7.485   2.682  -5.544
  552    HE1  PHE  74           HE1      PHE  74   8.616  -0.856  -2.255
  553    HE2  PHE  74           HE2      PHE  74   9.571   2.842  -4.233
  554    HZ   PHE  74           HZ       PHE  74  10.114   1.120  -2.514
  555    H    ILE  75           H        ILE  75   4.231   1.013  -8.894
  556    HA   ILE  75           HA       ILE  75   2.028  -0.546  -8.062
  557    HB   ILE  75           HB       ILE  75   2.224   1.354  -9.826
  558   1HG1  ILE  75          HG12      ILE  75   0.280  -0.939  -9.811
  559   2HG1  ILE  75          HG13      ILE  75   0.209   0.593  -8.923
  560   1HG2  ILE  75          HG21      ILE  75   2.161   0.680 -12.127
  561   2HG2  ILE  75          HG22      ILE  75   3.612  -0.032 -11.425
  562   3HG2  ILE  75          HG23      ILE  75   2.162  -1.043 -11.671
  563   1HD1  ILE  75          HD11      ILE  75  -1.303   0.710 -10.729
  564   2HD1  ILE  75          HD12      ILE  75   0.059   1.834 -11.017
  565   3HD1  ILE  75          HD13      ILE  75  -0.061   0.281 -11.910
  566    H    ILE  76           H        ILE  76   1.529  -2.658  -8.180
  567    HA   ILE  76           HA       ILE  76   3.308  -4.459  -9.812
  568    HB   ILE  76           HB       ILE  76   2.277  -6.243  -8.348
  569   1HG1  ILE  76          HG12      ILE  76   1.652  -3.933  -6.455
  570   2HG1  ILE  76          HG13      ILE  76   0.432  -4.657  -7.491
  571   1HG2  ILE  76          HG21      ILE  76   3.980  -5.959  -6.696
  572   2HG2  ILE  76          HG22      ILE  76   4.609  -5.284  -8.188
  573   3HG2  ILE  76          HG23      ILE  76   4.018  -4.189  -6.927
  574   1HD1  ILE  76          HD11      ILE  76   1.924  -6.697  -5.997
  575   2HD1  ILE  76          HD12      ILE  76   1.137  -5.497  -4.949
  576   3HD1  ILE  76          HD13      ILE  76   0.183  -6.419  -6.128
  577    H    GLY  77           H        GLY  77   0.230  -2.996  -9.819
  578   1HA   GLY  77           HA1      GLY  77  -0.712  -3.885 -12.203
  579   2HA   GLY  77           HA2      GLY  77  -1.187  -5.170 -11.070
  580    H    GLU  78           H        GLU  78  -3.380  -4.741 -11.062
  581    HA   GLU  78           HA       GLU  78  -4.275  -2.257  -9.784
  582   1HB   GLU  78           HB2      GLU  78  -4.626  -2.904 -12.675
  583   2HB   GLU  78           HB3      GLU  78  -6.089  -2.416 -11.851
  584   1HG   GLU  78           HG2      GLU  78  -5.146  -0.341 -11.111
  585   2HG   GLU  78           HG3      GLU  78  -3.506  -0.820 -11.581
  586    H    LEU  79           H        LEU  79  -6.615  -2.357  -9.431
  587    HA   LEU  79           HA       LEU  79  -7.166  -4.683  -7.836
  588   1HB   LEU  79           HB2      LEU  79  -7.932  -2.404  -7.300
  589   2HB   LEU  79           HB3      LEU  79  -8.894  -2.381  -8.790
  590    HG   LEU  79           HG       LEU  79 -10.186  -4.361  -7.872
  591   1HD1  LEU  79          HD11      LEU  79  -8.194  -4.044  -5.695
  592   2HD1  LEU  79          HD12      LEU  79  -9.844  -4.058  -5.101
  593   3HD1  LEU  79          HD13      LEU  79  -9.250  -5.414  -6.077
  594   1HD2  LEU  79          HD21      LEU  79 -10.836  -1.877  -7.782
  595   2HD2  LEU  79          HD22      LEU  79 -11.708  -3.038  -6.790
  596   3HD2  LEU  79          HD23      LEU  79 -10.472  -2.014  -6.039
  597    H    HIS  80           H        HIS  80  -8.347  -6.486  -8.322
  598    HA   HIS  80           HA       HIS  80  -8.820  -7.350 -10.912
  599   1HB   HIS  80           HB2      HIS  80  -8.731  -8.645  -8.790
  600   2HB   HIS  80           HB3      HIS  80 -10.424  -8.222  -8.493
  601    HD1  HIS  80           HD1      HIS  80 -12.025 -10.026  -9.563
  602    HD2  HIS  80           HD2      HIS  80  -8.085 -10.068 -11.022
  603    HE1  HIS  80           HE1      HIS  80 -11.845 -12.042 -11.107
  604    HA   PRO  81           HA       PRO  81 -12.428  -5.144 -12.131
  605   1HB   PRO  81           HB2      PRO  81 -13.261  -6.657 -14.283
  606   2HB   PRO  81           HB3      PRO  81 -11.916  -5.478 -14.297
  607   1HG   PRO  81           HG2      PRO  81 -11.772  -8.480 -14.031
  608   2HG   PRO  81           HG3      PRO  81 -10.696  -7.395 -14.965
  609   1HD   PRO  81           HD2      PRO  81 -10.086  -8.424 -12.524
  610   2HD   PRO  81           HD3      PRO  81  -9.471  -6.838 -13.071
  611    H    ASP  82           H        ASP  82 -12.528  -8.122 -10.602
  612    HA   ASP  82           HA       ASP  82 -15.504  -8.274 -10.642
  613   1HB   ASP  82           HB2      ASP  82 -13.742 -10.282 -11.072
  614   2HB   ASP  82           HB3      ASP  82 -13.858 -10.375  -9.288
  615    H    ASP  83           H        ASP  83 -13.081  -6.769  -8.862
  616    HA   ASP  83           HA       ASP  83 -14.093  -7.387  -6.173
  617   1HB   ASP  83           HB2      ASP  83 -11.759  -7.262  -6.468
  618   2HB   ASP  83           HB3      ASP  83 -11.871  -5.722  -7.361
  619    H    ARG  84           H        ARG  84 -13.740  -4.560  -8.254
  620    HA   ARG  84           HA       ARG  84 -14.648  -2.621  -6.565
  621   1HB   ARG  84           HB2      ARG  84 -15.077  -1.211  -8.492
  622   2HB   ARG  84           HB3      ARG  84 -13.546  -2.063  -8.646
  623   1HG   ARG  84           HG2      ARG  84 -16.042  -3.269  -9.910
  624   2HG   ARG  84           HG3      ARG  84 -15.352  -1.837 -10.641
  625   1HD   ARG  84           HD2      ARG  84 -13.936  -4.496 -10.161
  626   2HD   ARG  84           HD3      ARG  84 -14.550  -3.937 -11.690
  627    HE   ARG  84           HE       ARG  84 -12.052  -3.234 -10.403
  628   1HH1  ARG  84          HH11      ARG  84 -11.236  -0.709 -12.749
  629   2HH1  ARG  84          HH12      ARG  84 -10.643  -1.706 -11.459
  630   1HH2  ARG  84          HH21      ARG  84 -13.513  -0.935 -13.455
  631   2HH2  ARG  84          HH22      ARG  84 -14.517  -2.069 -12.602
  632    HHA  HEM 201           HGM      HEM 201   4.716  10.725   5.146
  633    HHB  HEM 201           HDM      HEM 201   5.691   7.586  -0.409
  634    HHC  HEM 201           HAM      HEM 201   0.730   3.792   0.879
  635    HHD  HEM 201           HBM      HEM 201  -0.028   6.578   6.666
  636   1HMA  HEM 201          HM81      HEM 201   7.796   9.228   0.421
  637   2HMA  HEM 201          HM82      HEM 201   6.439   9.784  -0.581
  638   3HMA  HEM 201          HM83      HEM 201   7.274  10.921   0.457
  639   1HAA  HEM 201          HAA1      HEM 201   6.653  11.637   3.991
  640   2HAA  HEM 201          HAA2      HEM 201   6.976  11.927   2.300
  641   1HBA  HEM 201          HBA1      HEM 201   4.662  12.811   3.941
  642   2HBA  HEM 201          HBA2      HEM 201   4.254  12.256   2.310
  643   1HMB  HEM 201          HM11      HEM 201   4.663   6.349  -2.588
  644   2HMB  HEM 201          HM12      HEM 201   5.834   5.318  -1.743
  645   3HMB  HEM 201          HM13      HEM 201   4.448   4.591  -2.573
  646    HAB  HEM 201          HT2A      HEM 201   1.906   3.887  -2.239
  647   1HBB  HEM 201          HV2C      HEM 201   2.299   2.133   0.158
  648   2HBB  HEM 201          HV2T      HEM 201   1.386   1.782  -1.436
  649   1HMC  HEM 201          HM31      HEM 201  -0.755   2.552   2.173
  650   2HMC  HEM 201          HM32      HEM 201  -1.838   2.728   3.565
  651   3HMC  HEM 201          HM33      HEM 201  -2.053   3.767   2.151
  652    HAC  HEM 201          HT4A      HEM 201  -2.317   5.495   5.815
  653   1HBC  HEM 201          HV4C      HEM 201  -1.024   2.727   6.025
  654   2HBC  HEM 201          HV4T      HEM 201  -2.156   3.553   7.259
  655   1HMD  HEM 201          HM51      HEM 201   0.827   7.397   8.589
  656   2HMD  HEM 201          HM52      HEM 201   1.961   8.581   9.226
  657   3HMD  HEM 201          HM53      HEM 201   0.414   9.121   8.560
  658   1HAD  HEM 201          HAD1      HEM 201   3.785   9.930   8.594
  659   2HAD  HEM 201          HAD2      HEM 201   4.306  10.976   7.301
  660   1HBD  HEM 201          HBD1      HEM 201   2.550  12.399   7.549
  661   2HBD  HEM 201          HBD2      HEM 201   1.464  11.138   8.138