*HEADER    HORMONE/GROWTH FACTOR                   06-OCT-05   2B8A              
*TITLE     HIGH RESOLUTION STRUCTURE OF THE HDGF PWWP DOMAIN                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: HEPATOMA-DERIVED GROWTH FACTOR;                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: PWWP DOMAIN;                                               
*COMPND   5 SYNONYM: HDGF;                                                       
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS;                              
*SOURCE   3 ORGANISM_COMMON: RAT;                                                
*SOURCE   4 GENE: HDGF;                                                          
*SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   6 EXPRESSION_SYSTEM_COMMON: BACTERIA;                                  
*SOURCE   7 EXPRESSION_SYSTEM_STRAIN: ROSETTA(DE3);                              
*SOURCE   8 EXPRESSION_SYSTEM_VECTOR_TYPE: PLASMID;                              
*SOURCE   9 EXPRESSION_SYSTEM_PLASMID: PHIS PARALLEL II                          
*KEYWDS    PWWP, HDGF                                                            
*EXPDTA    NMR, 26 STRUCTURES                                                    
*AUTHOR    S.M.LUKASIK, T.CIERPICKI, M.BORLOZ, J.GREMBECKA, A.EVERETT,           
*AUTHOR   2 J.H.BUSHWELLER                                                       
*REVDAT   1   06-DEC-05 2B8A    0                                                


hdgf_diherdal.tbl
!!   10  TYR  PHI  -131.5  -68.5 
 assign (resid   9  and name c ) (resid  10  and name n  )
        (resid  10  and name ca) (resid  10  and name c  ) 1.0  -131.5 -68.5 2
!!   10  TYR  PSI  130.3  164.7 
 assign (resid  10  and name n ) (resid  10  and name ca )
        (resid  10  and name c ) (resid  11  and name n  ) 1.0  130.3 164.7 2
!!   11  LYS  PHI  -132.2  -81.1 
 assign (resid  10  and name c ) (resid  11  and name n  )
        (resid  11  and name ca) (resid  11  and name c  ) 1.0  -132.2 -81.1 2
!!   11  LYS  PSI  152.5  170.7 
 assign (resid  11  and name n ) (resid  11  and name ca )
        (resid  11  and name c ) (resid  12  and name n  ) 1.0  152.5 170.7 2
!!   15  LEU  PHI  -119.5  -88.9 
 assign (resid  14  and name c ) (resid  15  and name n  )
        (resid  15  and name ca) (resid  15  and name c  ) 1.0  -119.5 -88.9 2
!!   15  LEU  PSI  128.7  151.0 
 assign (resid  15  and name n ) (resid  15  and name ca )
        (resid  15  and name c ) (resid  16  and name n  ) 1.0  128.7 151.0 2
!!   16  VAL  PHI  -141.8  -124.3 
 assign (resid  15  and name c ) (resid  16  and name n  )
        (resid  16  and name ca) (resid  16  and name c  ) 1.0  -141.8 -124.3 2
!!   16  VAL  PSI  148.2  174.4 
 assign (resid  16  and name n ) (resid  16  and name ca )
        (resid  16  and name c ) (resid  17  and name n  ) 1.0  148.2 174.4 2
!!   17  PHE  PHI  -162.6  -109.5 
 assign (resid  16  and name c ) (resid  17  and name n  )
        (resid  17  and name ca) (resid  17  and name c  ) 1.0  -162.6 -109.5 2
!!   17  PHE  PSI  136.6  158.2 
 assign (resid  17  and name n ) (resid  17  and name ca )
        (resid  17  and name c ) (resid  18  and name n  ) 1.0  136.6 158.2 2
!!   18  ALA  PHI  -140.4  -121.9 
 assign (resid  17  and name c ) (resid  18  and name n  )
        (resid  18  and name ca) (resid  18  and name c  ) 1.0  -140.4 -121.9 2
!!   18  ALA  PSI  123.2  147.7 
 assign (resid  18  and name n ) (resid  18  and name ca )
        (resid  18  and name c ) (resid  19  and name n  ) 1.0  123.2 147.7 2
!!   19  LYS  PHI  -142.2  -100.7 
 assign (resid  18  and name c ) (resid  19  and name n  )
        (resid  19  and name ca) (resid  19  and name c  ) 1.0  -142.2 -100.7 2
!!   19  LYS  PSI  117.5  136.8 
 assign (resid  19  and name n ) (resid  19  and name ca )
        (resid  19  and name c ) (resid  20  and name n  ) 1.0  117.5 136.8 2
!!   20  MET  PHI  -139.9  -83.7 
 assign (resid  19  and name c ) (resid  20  and name n  )
        (resid  20  and name ca) (resid  20  and name c  ) 1.0  -139.9 -83.7 2
!!   20  MET  PSI  114.0  153.6 
 assign (resid  20  and name n ) (resid  20  and name ca )
        (resid  20  and name c ) (resid  21  and name n  ) 1.0  114.0 153.6 2
!!   23  TYR  PHI  -116.2  -73.3 
 assign (resid  22  and name c ) (resid  23  and name n  )
        (resid  23  and name ca) (resid  23  and name c  ) 1.0  -116.2 -73.3 2
!!   23  TYR  PSI   96.1  148.4 
 assign (resid  23  and name n ) (resid  23  and name ca )
        (resid  23  and name c ) (resid  24  and name n  ) 1.0  96.1 148.4 2
!!   24  PRO  PSI  131.2  158.2 
 assign (resid  24  and name n ) (resid  24  and name ca )
        (resid  24  and name c ) (resid  25  and name n  ) 1.0  131.2 158.2 2
!!   25  HIS  PHI  -71.2  -56.3 
 assign (resid  24  and name c ) (resid  25  and name n  )
        (resid  25  and name ca) (resid  25  and name c  ) 1.0  -71.2 -56.3 2
!!   25  HIS  PSI  124.4  142.8 
 assign (resid  25  and name n ) (resid  25  and name ca )
        (resid  25  and name c ) (resid  26  and name n  ) 1.0  124.4 142.8 2
!!   27  PRO  PSI  111.6  141.6 
 assign (resid  27  and name n ) (resid  27  and name ca )
        (resid  27  and name c ) (resid  28  and name n  ) 1.0  111.6 141.6 2
!!   28  ALA  PHI  -150.4  -99.9 
 assign (resid  27  and name c ) (resid  28  and name n  )
        (resid  28  and name ca) (resid  28  and name c  ) 1.0  -150.4 -99.9 2
!!   28  ALA  PSI  131.8  159.9 
 assign (resid  28  and name n ) (resid  28  and name ca )
        (resid  28  and name c ) (resid  29  and name n  ) 1.0  131.8 159.9 2
!!   29  ARG  PHI  -142.8  -111.1 
 assign (resid  28  and name c ) (resid  29  and name n  )
        (resid  29  and name ca) (resid  29  and name c  ) 1.0  -142.8 -111.1 2
!!   29  ARG  PSI  125.2  162.2 
 assign (resid  29  and name n ) (resid  29  and name ca )
        (resid  29  and name c ) (resid  30  and name n  ) 1.0  125.2 162.2 2
!!   30  ILE  PHI  -110.6  -81.7 
 assign (resid  29  and name c ) (resid  30  and name n  )
        (resid  30  and name ca) (resid  30  and name c  ) 1.0  -110.6 -81.7 2
!!   30  ILE  PSI  110.3  132.7 
 assign (resid  30  and name n ) (resid  30  and name ca )
        (resid  30  and name c ) (resid  31  and name n  ) 1.0  110.3 132.7 2
!!   44  LYS  PHI  -138.6  -91.2 
 assign (resid  43  and name c ) (resid  44  and name n  )
        (resid  44  and name ca) (resid  44  and name c  ) 1.0  -138.6 -91.2 2
!!   44  LYS  PSI  138.9  162.7 
 assign (resid  44  and name n ) (resid  44  and name ca )
        (resid  44  and name c ) (resid  45  and name n  ) 1.0  138.9 162.7 2
!!   45  TYR  PHI  -115.6  -80.8 
 assign (resid  44  and name c ) (resid  45  and name n  )
        (resid  45  and name ca) (resid  45  and name c  ) 1.0  -115.6 -80.8 2
!!   45  TYR  PSI  128.1  143.7 
 assign (resid  45  and name n ) (resid  45  and name ca )
        (resid  45  and name c ) (resid  46  and name n  ) 1.0  128.1 143.7 2
!!   46  GLN  PHI  -113.5  -81.3 
 assign (resid  45  and name c ) (resid  46  and name n  )
        (resid  46  and name ca) (resid  46  and name c  ) 1.0  -113.5 -81.3 2
!!   46  GLN  PSI  112.9  136.4 
 assign (resid  46  and name n ) (resid  46  and name ca )
        (resid  46  and name c ) (resid  47  and name n  ) 1.0  112.9 136.4 2
!!   47  VAL  PHI  -132.9  -99.8 
 assign (resid  46  and name c ) (resid  47  and name n  )
        (resid  47  and name ca) (resid  47  and name c  ) 1.0  -132.9 -99.8 2
!!   47  VAL  PSI  116.0  145.1 
 assign (resid  47  and name n ) (resid  47  and name ca )
        (resid  47  and name c ) (resid  48  and name n  ) 1.0  116.0 145.1 2
!!   48  PHE  PHI  -148.3  -104.1 
 assign (resid  47  and name c ) (resid  48  and name n  )
        (resid  48  and name ca) (resid  48  and name c  ) 1.0  -148.3 -104.1 2
!!   48  PHE  PSI  125.4  151.9 
 assign (resid  48  and name n ) (resid  48  and name ca )
        (resid  48  and name c ) (resid  49  and name n  ) 1.0  125.4 151.9 2
!!   55  THR  PHI  -139.2  -99.4 
 assign (resid  54  and name c ) (resid  55  and name n  )
        (resid  55  and name ca) (resid  55  and name c  ) 1.0  -139.2 -99.4 2
!!   55  THR  PSI  132.6  161.5 
 assign (resid  55  and name n ) (resid  55  and name ca )
        (resid  55  and name c ) (resid  56  and name n  ) 1.0  132.6 161.5 2
!!   56  ALA  PHI  -158.8  -132.1 
 assign (resid  55  and name c ) (resid  56  and name n  )
        (resid  56  and name ca) (resid  56  and name c  ) 1.0  -158.8 -132.1 2
!!   56  ALA  PSI  141.5  165.2 
 assign (resid  56  and name n ) (resid  56  and name ca )
        (resid  56  and name c ) (resid  57  and name n  ) 1.0  141.5 165.2 2
!!   57  PHE  PHI  -126.7  -100.5 
 assign (resid  56  and name c ) (resid  57  and name n  )
        (resid  57  and name ca) (resid  57  and name c  ) 1.0  -126.7 -100.5 2
!!   57  PHE  PSI  117.8  142.8 
 assign (resid  57  and name n ) (resid  57  and name ca )
        (resid  57  and name c ) (resid  58  and name n  ) 1.0  117.8 142.8 2
!!   58  LEU  PHI  -139.1  -125.0 
 assign (resid  57  and name c ) (resid  58  and name n  )
        (resid  58  and name ca) (resid  58  and name c  ) 1.0  -139.1 -125.0 2
!!   58  LEU  PSI  142.7  161.1 
 assign (resid  58  and name n ) (resid  58  and name ca )
        (resid  58  and name c ) (resid  59  and name n  ) 1.0  142.7 161.1 2
!!   63  LEU  PHI  -146.7  -111.9 
 assign (resid  62  and name c ) (resid  63  and name n  )
        (resid  63  and name ca) (resid  63  and name c  ) 1.0  -146.7 -111.9 2
!!   63  LEU  PSI  132.8  158.4 
 assign (resid  63  and name n ) (resid  63  and name ca )
        (resid  63  and name c ) (resid  64  and name n  ) 1.0  132.8 158.4 2
!!   64  PHE  PHI  -144.5  -114.9 
 assign (resid  63  and name c ) (resid  64  and name n  )
        (resid  64  and name ca) (resid  64  and name c  ) 1.0  -144.5 -114.9 2
!!   64  PHE  PSI   97.5  163.3 
 assign (resid  64  and name n ) (resid  64  and name ca )
        (resid  64  and name c ) (resid  65  and name n  ) 1.0  97.5 163.3 2
!!   65  PRO  PSI  119.0  147.1 
 assign (resid  65  and name n ) (resid  65  and name ca )
        (resid  65  and name c ) (resid  66  and name n  ) 1.0  119.0 147.1 2
!!   66  TYR  PHI  -76.3  -52.2 
 assign (resid  65  and name c ) (resid  66  and name n  )
        (resid  66  and name ca) (resid  66  and name c  ) 1.0  -76.3 -52.2 2
!!   66  TYR  PSI  -51.3  -36.7 
 assign (resid  66  and name n ) (resid  66  and name ca )
        (resid  66  and name c ) (resid  67  and name n  ) 1.0  -51.3 -36.7 2
!!   67  GLU  PHI  -75.9  -55.3 
 assign (resid  66  and name c ) (resid  67  and name n  )
        (resid  67  and name ca) (resid  67  and name c  ) 1.0  -75.9 -55.3 2
!!   67  GLU  PSI  -48.9  -26.1 
 assign (resid  67  and name n ) (resid  67  and name ca )
        (resid  67  and name c ) (resid  68  and name n  ) 1.0  -48.9 -26.1 2
!!   68  GLU  PHI  -85.6  -58.0 
 assign (resid  67  and name c ) (resid  68  and name n  )
        (resid  68  and name ca) (resid  68  and name c  ) 1.0  -85.6 -58.0 2
!!   68  GLU  PSI  -57.1  -14.4 
 assign (resid  68  and name n ) (resid  68  and name ca )
        (resid  68  and name c ) (resid  69  and name n  ) 1.0  -57.1 -14.4 2
!!   70  LYS  PHI  -64.8  -52.2 
 assign (resid  69  and name c ) (resid  70  and name n  )
        (resid  70  and name ca) (resid  70  and name c  ) 1.0  -64.8 -52.2 2
!!   70  LYS  PSI  -50.5  -36.3 
 assign (resid  70  and name n ) (resid  70  and name ca )
        (resid  70  and name c ) (resid  71  and name n  ) 1.0  -50.5 -36.3 2
!!   71  GLU  PHI  -68.6  -53.6 
 assign (resid  70  and name c ) (resid  71  and name n  )
        (resid  71  and name ca) (resid  71  and name c  ) 1.0  -68.6 -53.6 2
!!   71  GLU  PSI  -44.7  -34.2 
 assign (resid  71  and name n ) (resid  71  and name ca )
        (resid  71  and name c ) (resid  72  and name n  ) 1.0  -44.7 -34.2 2
!!   72  LYS  PHI  -83.3  -57.0 
 assign (resid  71  and name c ) (resid  72  and name n  )
        (resid  72  and name ca) (resid  72  and name c  ) 1.0  -83.3 -57.0 2
!!   72  LYS  PSI  -40.0  -21.4 
 assign (resid  72  and name n ) (resid  72  and name ca )
        (resid  72  and name c ) (resid  73  and name n  ) 1.0  -40.0 -21.4 2
!!   82  PHE  PHI  -63.5  -53.9 
 assign (resid  81  and name c ) (resid  82  and name n  )
        (resid  82  and name ca) (resid  82  and name c  ) 1.0  -63.5 -53.9 2
!!   82  PHE  PSI  -56.3  -34.6 
 assign (resid  82  and name n ) (resid  82  and name ca )
        (resid  82  and name c ) (resid  83  and name n  ) 1.0  -56.3 -34.6 2
!!   83  SER  PHI  -72.1  -58.6 
 assign (resid  82  and name c ) (resid  83  and name n  )
        (resid  83  and name ca) (resid  83  and name c  ) 1.0  -72.1 -58.6 2
!!   83  SER  PSI  -46.4  -28.5 
 assign (resid  83  and name n ) (resid  83  and name ca )
        (resid  83  and name c ) (resid  84  and name n  ) 1.0  -46.4 -28.5 2
!!   84  GLU  PHI  -74.4  -61.1 
 assign (resid  83  and name c ) (resid  84  and name n  )
        (resid  84  and name ca) (resid  84  and name c  ) 1.0  -74.4 -61.1 2
!!   84  GLU  PSI  -51.5  -25.4 
 assign (resid  84  and name n ) (resid  84  and name ca )
        (resid  84  and name c ) (resid  85  and name n  ) 1.0  -51.5 -25.4 2
!!   86  LEU  PHI  -84.0  -54.8 
 assign (resid  85  and name c ) (resid  86  and name n  )
        (resid  86  and name ca) (resid  86  and name c  ) 1.0  -84.0 -54.8 2
!!   86  LEU  PSI  -55.9  -11.5 
 assign (resid  86  and name n ) (resid  86  and name ca )
        (resid  86  and name c ) (resid  87  and name n  ) 1.0  -55.9 -11.5 2
!!   87  TRP  PHI  -67.2  -57.7 
 assign (resid  86  and name c ) (resid  87  and name n  )
        (resid  87  and name ca) (resid  87  and name c  ) 1.0  -67.2 -57.7 2
!!   87  TRP  PSI  -51.2  -34.1 
 assign (resid  87  and name n ) (resid  87  and name ca )
        (resid  87  and name c ) (resid  88  and name n  ) 1.0  -51.2 -34.1 2
!!   88  GLU  PHI  -67.7  -55.6 
 assign (resid  87  and name c ) (resid  88  and name n  )
        (resid  88  and name ca) (resid  88  and name c  ) 1.0  -67.7 -55.6 2
!!   88  GLU  PSI  -51.2  -40.2 
 assign (resid  88  and name n ) (resid  88  and name ca )
        (resid  88  and name c ) (resid  89  and name n  ) 1.0  -51.2 -40.2 2
!!   89  ILE  PHI  -82.5  -54.4 
 assign (resid  88  and name c ) (resid  89  and name n  )
        (resid  89  and name ca) (resid  89  and name c  ) 1.0  -82.5 -54.4 2
!!   89  ILE  PSI  -50.8  -28.8 
 assign (resid  89  and name n ) (resid  89  and name ca )
        (resid  89  and name c ) (resid  90  and name n  ) 1.0  -50.8 -28.8 2
!!   90  GLU  PHI  -94.8  -60.0 
 assign (resid  89  and name c ) (resid  90  and name n  )
        (resid  90  and name ca) (resid  90  and name c  ) 1.0  -94.8 -60.0 2
!!   90  GLU  PSI  -52.4   -7.4 
 assign (resid  90  and name n ) (resid  90  and name ca )
        (resid  90  and name c ) (resid  91  and name n  ) 1.0  -52.4 -7.4 2

hdgf_hbonds.tbl
assign (resid  14  and name HN ) (resid 11 and name O ) 1.80 0.00  0.50 
assign (resid  14  and name N ) (resid 11 and name O ) 1.80 0.00  1.50 
assign (resid  16  and name HN ) (resid 28 and name O ) 1.80 0.00  0.50 
assign (resid  16  and name N ) (resid 28 and name O ) 1.80 0.00  1.50 
assign (resid  17  and name HN ) (resid 64 and name O ) 1.80 0.00  0.50 
assign (resid  17  and name N ) (resid 64 and name O ) 1.80 0.00  1.50 
assign (resid  18  and name HN ) (resid 26 and name O ) 1.80 0.00  0.50 
assign (resid  18  and name N ) (resid 26 and name O ) 1.80 0.00  1.50 
assign (resid  20  and name O ) (resid 23 and name HN ) 1.80 0.00  0.50 
assign (resid  20  and name O ) (resid 23 and name N ) 1.80 0.00  1.50 
assign (resid  18  and name O ) (resid 26 and name HN ) 1.80 0.00  0.50 
assign (resid  18  and name O ) (resid 26 and name N ) 1.80 0.00  1.50 
assign (resid  16  and name O ) (resid 28 and name HN ) 1.80 0.00  0.50 
assign (resid  16  and name O ) (resid 28 and name N ) 1.80 0.00  1.50 
assign (resid  14  and name O ) (resid 30 and name HN ) 1.80 0.00  0.50 
assign (resid  14  and name O ) (resid 30 and name N ) 1.80 0.00  1.50 
assign (resid  31  and name HN ) (resid 46 and name O ) 1.80 0.00  0.50 
assign (resid  31  and name N ) (resid 46 and name O ) 1.80 0.00  1.50 
assign (resid  19  and name HN ) (resid 62 and name O ) 1.80 0.00  0.50 
assign (resid  19  and name N ) (resid 62 and name O ) 1.80 0.00  1.50 
assign (resid  29  and name HN ) (resid 48 and name O ) 1.80 0.00  0.50 
assign (resid  29  and name N ) (resid 48 and name O ) 1.80 0.00  1.50 
assign (resid  29  and name O ) (resid 48 and name HN ) 1.80 0.00  0.50 
assign (resid  29  and name O ) (resid 48 and name N ) 1.80 0.00  1.50 
assign (resid  27  and name O ) (resid 50 and name HN ) 1.80 0.00  0.50 
assign (resid  27  and name O ) (resid 50 and name N ) 1.80 0.00  1.50 
assign (resid  45  and name HN ) (resid 58 and name O ) 1.80 0.00  0.50 
assign (resid  45  and name N ) (resid 58 and name O ) 1.80 0.00  1.50 
assign (resid  47  and name HN ) (resid 56 and name O ) 1.80 0.00  0.50 
assign (resid  47  and name N ) (resid 56 and name O ) 1.80 0.00  1.50 
assign (resid  49  and name HN ) (resid 54 and name O ) 1.80 0.00  0.50 
assign (resid  49  and name N ) (resid 54 and name O ) 1.80 0.00  1.50 
assign (resid  49  and name O ) (resid 54 and name HN ) 1.80 0.00  0.50 
assign (resid  49  and name O ) (resid 54 and name N ) 1.80 0.00  1.50 
assign (resid  47  and name O ) (resid 56 and name HN ) 1.80 0.00  0.50 
assign (resid  47  and name O ) (resid 56 and name N ) 1.80 0.00  1.50 
assign (resid  45  and name O ) (resid 58 and name HN ) 1.80 0.00  0.50 
assign (resid  45  and name O ) (resid 58 and name N ) 1.80 0.00  1.50 
assign (resid  59  and name O ) (resid 62 and name HN ) 1.80 0.00  0.50 
assign (resid  59  and name O ) (resid 62 and name N ) 1.80 0.00  1.50 
assign (resid  60  and name O ) (resid 63 and name HN ) 1.80 0.00  0.50 
assign (resid  60  and name O ) (resid 63 and name N ) 1.80 0.00  1.50 
assign (resid  17  and name O ) (resid 64 and name HN ) 1.80 0.00  0.50 
assign (resid  17  and name O ) (resid 64 and name N ) 1.80 0.00  1.50 
assign (resid  66  and name O ) (resid 69 and name HN ) 1.80 0.00  0.50 
assign (resid  66  and name O ) (resid 69 and name N ) 1.80 0.00  1.50 

hdgf_dist.tbl
assign (resid  26  and name HH2 ) (resid 52 and name HG2# ) 1.80 0.00  2.53 
assign (resid  26  and name HH2 ) (resid 79 and name HG# ) 1.80 0.00  2.26 
assign (resid  26  and name HH2 ) (resid 79 and name HB# ) 1.80 0.00  1.72 
assign (resid  26  and name HH2 ) (resid 82 and name HA ) 1.80 0.00  2.42 
assign (resid  26  and name HZ3 ) (resid 26 and name HH2 ) 1.80 0.00  1.59 
assign (resid  26  and name HH2 ) (resid 82 and name HN ) 1.80 0.00  2.57 
assign (resid  87  and name HZ3 ) (resid 87 and name HH2 ) 1.80 0.00  1.29 
assign (resid  87  and name HH2 ) (resid 92 and name HB# ) 1.80 0.00  2.88 
assign (resid  87  and name HB# ) (resid 87 and name HD1 ) 1.80 0.00  2.50 
assign (resid  87  and name HB# ) (resid 87 and name HD1 ) 1.80 0.00  2.63 
assign (resid  87  and name HD1 ) (resid 91 and name HD2# ) 1.80 0.00  2.60 
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assign (resid  19  and name HB# ) (resid 64 and name HZ ) 1.80 0.00  2.69 
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assign (resid  70  and name HB# ) (resid 70 and name HG# ) 1.80 0.00  1.79 
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assign (resid  17  and name HE# ) (resid 70 and name HB# ) 1.80 0.00  2.85 
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assign (resid  90  and name HB# ) (resid 91 and name HD2# ) 1.80 0.00  2.84 
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assign (resid  90  and name HB# ) (resid 91 and name HN ) 1.80 0.00  2.08 
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assign (resid  90  and name HB# ) (resid 90 and name HG# ) 1.80 0.00  2.00 
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assign (resid  90  and name HA ) (resid 90 and name HG# ) 1.80 0.00  1.54 
assign (resid  89  and name HG2# ) (resid 90 and name HG# ) 1.80 0.00  1.77 
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assign (resid  90  and name HA ) (resid 90 and name HG# ) 1.80 0.00  1.71 
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assign (resid  11  and name HB# ) (resid 11 and name HG# ) 1.80 0.00  1.02 
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assign (resid  20  and name HB# ) (resid 20 and name HG# ) 1.80 0.00  1.45 
assign (resid  20  and name HB# ) (resid 20 and name HE# ) 1.80 0.00  1.69 
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assign (resid  63  and name HN ) (resid 63 and name HD# ) 1.80 0.00  1.85 
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assign (resid  72  and name HD# ) (resid 73 and name HZ ) 1.80 0.00  2.68 
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assign (resid  12  and name HN ) (resid 12 and name HB# ) 1.80 0.00  1.29 
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assign (resid  12  and name HB# ) (resid 30 and name HG2# ) 1.80 0.00  3.26 
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assign (resid  17  and name HA ) (resid 17 and name HB# ) 1.80 0.00  1.79 
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assign (resid  16  and name HG# ) (resid 17 and name HA ) 1.80 0.00  2.15 
assign (resid  17  and name HA ) (resid 27 and name HA ) 1.80 0.00  2.49 
assign (resid  17  and name HA ) (resid 17 and name HD# ) 1.80 0.00  1.81 
assign (resid  17  and name HA ) (resid 28 and name HN ) 1.80 0.00  1.42 
assign (resid  17  and name HA ) (resid 18 and name HN ) 1.80 0.00  1.08 
assign (resid  55  and name HA ) (resid 55 and name HB ) 1.80 0.00  1.53 
assign (resid  55  and name HA ) (resid 55 and name HG2# ) 1.80 0.00  1.25 
assign (resid  55  and name HA ) (resid 56 and name HB# ) 1.80 0.00  1.91 
assign (resid  49  and name HD# ) (resid 55 and name HA ) 1.80 0.00  2.01 
assign (resid  55  and name HN ) (resid 55 and name HA ) 1.80 0.00  1.77 
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assign (resid  57  and name HA ) (resid 58 and name HN ) 1.80 0.00  1.15 
assign (resid  56  and name HN ) (resid 57 and name HA ) 1.80 0.00  3.08 
assign (resid  46  and name HN ) (resid 57 and name HA ) 1.80 0.00  3.37 
assign (resid  57  and name HA ) (resid 57 and name HB# ) 1.80 0.00  1.86 
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assign (resid  46  and name HG# ) (resid 57 and name HA ) 1.80 0.00  2.40 
assign (resid  26  and name HA ) (resid 27 and name HD# ) 1.80 0.00  1.81 
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assign (resid  26  and name HA ) (resid 82 and name HD# ) 1.80 0.00  2.69 
assign (resid  26  and name HA ) (resid 82 and name HE# ) 1.80 0.00  1.58 
assign (resid  26  and name HN ) (resid 26 and name HA ) 1.80 0.00  2.54 
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assign (resid  45  and name HD# ) (resid 59 and name HA# ) 1.80 0.00  2.63 
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assign (resid  59  and name HA# ) (resid 60 and name HD# ) 1.80 0.00  2.43 
assign (resid  74  and name HA# ) (resid 86 and name HD# ) 1.80 0.00  1.99 
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assign (resid  74  and name HA# ) (resid 75 and name HN ) 1.80 0.00  1.78 
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assign (resid  81  and name HN ) (resid 81 and name HA# ) 1.80 0.00  1.67 
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assign (resid  85  and name HA# ) (resid 86 and name HN ) 1.80 0.00  2.75 
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assign (resid  50  and name HB# ) (resid 85 and name HA# ) 1.80 0.00  2.56 
assign (resid  85  and name HA# ) (resid 88 and name HB# ) 1.80 0.00  2.97 
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assign (resid  74  and name HA# ) (resid 75 and name HN ) 1.80 0.00  1.84 
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assign (resid  21  and name HG# ) (resid 22 and name HA# ) 1.80 0.00  3.10 
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assign (resid  21  and name HB# ) (resid 22 and name HA# ) 1.80 0.00  3.54 
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assign (resid  58  and name HD# ) (resid 62 and name HB# ) 1.80 0.00  2.12 
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assign (resid  13  and name HA# ) (resid 29 and name HG# ) 1.80 0.00  3.60 
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assign (resid  29  and name HB# ) (resid 29 and name HD# ) 1.80 0.00  2.04 
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assign (resid  29  and name HD# ) (resid 50 and name HZ ) 1.80 0.00  2.17 
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assign (resid  19  and name HD# ) (resid 19 and name HE# ) 1.80 0.00  1.86 
assign (resid  19  and name HG# ) (resid 19 and name HE# ) 1.80 0.00  1.71 
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assign (resid  19  and name HD# ) (resid 19 and name HE# ) 1.80 0.00  1.67 
assign (resid  19  and name HD# ) (resid 19 and name HE# ) 1.80 0.00  1.44 
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assign (resid  14  and name HB# ) (resid 30 and name HD1# ) 1.80 0.00  2.95 
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assign (resid  95  and name HA ) (resid 95 and name HG# ) 1.80 0.00  1.04 
assign (resid  95  and name HB ) (resid 95 and name HG# ) 1.80 0.00  0.98 
assign (resid  55  and name HB ) (resid 55 and name HG2# ) 1.80 0.00  1.36 
assign (resid  46  and name HE2# ) (resid 55 and name HG2# ) 1.80 0.00  2.71 
assign (resid  46  and name HE2# ) (resid 55 and name HG2# ) 1.80 0.00  1.89 
assign (resid  55  and name HG2# ) (resid 56 and name HN ) 1.80 0.00  1.76 
assign (resid  46  and name HG# ) (resid 55 and name HG2# ) 1.80 0.00  1.48 
assign (resid  93  and name HG# ) (resid 94 and name HG2# ) 1.80 0.00  2.03 
assign (resid  94  and name HB ) (resid 94 and name HG2# ) 1.80 0.00  1.89 
assign (resid  94  and name HG2# ) (resid 95 and name HN ) 1.80 0.00  2.94 
assign (resid  94  and name HN ) (resid 94 and name HG2# ) 1.80 0.00  1.65 
assign (resid  52  and name HG2# ) (resid 81 and name HA# ) 1.80 0.00  1.87 
assign (resid  52  and name HG2# ) (resid 54 and name HN ) 1.80 0.00  2.77 
assign (resid  26  and name HZ2 ) (resid 52 and name HG2# ) 1.80 0.00  1.57 
assign (resid  52  and name HG2# ) (resid 53 and name HN ) 1.80 0.00  2.17 
assign (resid  52  and name HN ) (resid 52 and name HG2# ) 1.80 0.00  1.72 
assign (resid  26  and name HD1 ) (resid 52 and name HG2# ) 1.80 0.00  3.68 
assign (resid  26  and name HE1 ) (resid 52 and name HG2# ) 1.80 0.00  2.49 
assign (resid  56  and name HN ) (resid 56 and name HB# ) 1.80 0.00  1.90 
assign (resid  56  and name HB# ) (resid 57 and name HN ) 1.80 0.00  1.42 
assign (resid  49  and name HZ ) (resid 56 and name HB# ) 1.80 0.00  1.95 
assign (resid  56  and name HB# ) (resid 57 and name HA ) 1.80 0.00  3.60 
assign (resid  56  and name HB# ) (resid 57 and name HB# ) 1.80 0.00  3.70 
assign (resid  56  and name HB# ) (resid 58 and name HD# ) 1.80 0.00  1.63 
assign (resid  47  and name HG# ) (resid 56 and name HB# ) 1.80 0.00  2.62 
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assign (resid  11  and name HG# ) (resid 11 and name HD# ) 1.80 0.00  1.06 
assign (resid  11  and name HG# ) (resid 11 and name HE# ) 1.80 0.00  2.41 
assign (resid  11  and name HG# ) (resid 11 and name HE# ) 1.80 0.00  1.62 
assign (resid  11  and name HG# ) (resid 12 and name HN ) 1.80 0.00  3.18 
assign (resid  11  and name HG# ) (resid 12 and name HN ) 1.80 0.00  3.06 
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assign (resid  70  and name HN ) (resid 70 and name HG# ) 1.80 0.00  2.12 
assign (resid  70  and name HA ) (resid 70 and name HG# ) 1.80 0.00  2.77 
assign (resid  67  and name HA ) (resid 70 and name HG# ) 1.80 0.00  2.58 
assign (resid  70  and name HG# ) (resid 70 and name HE# ) 1.80 0.00  1.40 
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assign (resid  70  and name HG# ) (resid 71 and name HG# ) 1.80 0.00  2.85 
assign (resid  70  and name HG# ) (resid 71 and name HG# ) 1.80 0.00  3.70 
assign (resid  20  and name HG# ) (resid 58 and name HD# ) 1.80 0.00  1.66 
assign (resid  58  and name HB# ) (resid 58 and name HD# ) 1.80 0.00  1.84 
assign (resid  58  and name HG ) (resid 58 and name HD# ) 1.80 0.00  1.32 
assign (resid  49  and name HZ ) (resid 58 and name HD# ) 1.80 0.00  2.45 
assign (resid  58  and name HN ) (resid 58 and name HD# ) 1.80 0.00  3.11 
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assign (resid  19  and name HB# ) (resid 19 and name HG# ) 1.80 0.00  1.31 
assign (resid  19  and name HG# ) (resid 19 and name HD# ) 1.80 0.00  1.72 
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assign (resid  28  and name HB# ) (resid 50 and name HN ) 1.80 0.00  2.48 
assign (resid  28  and name HN ) (resid 28 and name HB# ) 1.80 0.00  1.81 
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assign (resid  28  and name HB# ) (resid 49 and name HD# ) 1.80 0.00  2.15 
assign (resid  28  and name HB# ) (resid 48 and name HB# ) 1.80 0.00  2.83 
assign (resid  28  and name HB# ) (resid 47 and name HB ) 1.80 0.00  2.10 
assign (resid  18  and name HB# ) (resid 28 and name HB# ) 1.80 0.00  0.97 
assign (resid  28  and name HB# ) (resid 47 and name HG# ) 1.80 0.00  1.07 
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assign (resid  18  and name HN ) (resid 18 and name HB# ) 1.80 0.00  1.78 
assign (resid  18  and name HB# ) (resid 19 and name HN ) 1.80 0.00  2.09 
assign (resid  18  and name HB# ) (resid 49 and name HD# ) 1.80 0.00  1.67 
assign (resid  18  and name HB# ) (resid 49 and name HZ ) 1.80 0.00  1.71 
assign (resid  18  and name HB# ) (resid 63 and name HG ) 1.80 0.00  2.38 
assign (resid  18  and name HB# ) (resid 63 and name HD# ) 1.80 0.00  3.31 
assign (resid  18  and name HB# ) (resid 63 and name HD# ) 1.80 0.00  1.35 
assign (resid  15  and name HG ) (resid 15 and name HD# ) 1.80 0.00  1.32 
assign (resid  15  and name HD# ) (resid 93 and name HB# ) 1.80 0.00  1.97 
assign (resid  15  and name HD# ) (resid 89 and name HA ) 1.80 0.00  3.36 
assign (resid  15  and name HD# ) (resid 89 and name HD1# ) 1.80 0.00  2.14 
assign (resid  15  and name HD# ) (resid 66 and name HE# ) 1.80 0.00  2.26 
assign (resid  15  and name HD# ) (resid 66 and name HD# ) 1.80 0.00  1.96 
assign (resid  15  and name HD# ) (resid 50 and name HE# ) 1.80 0.00  3.02 
assign (resid  15  and name HN ) (resid 15 and name HD# ) 1.80 0.00  2.99 
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assign (resid  82  and name HE# ) (resid 86 and name HD# ) 1.80 0.00  1.76 
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assign (resid  83  and name HB# ) (resid 86 and name HD# ) 1.80 0.00  2.31 
assign (resid  86  and name HA ) (resid 86 and name HD# ) 1.80 0.00  2.30 
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assign (resid  86  and name HB# ) (resid 86 and name HD# ) 1.80 0.00  1.29 
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assign (resid  20  and name HE# ) (resid 58 and name HD# ) 1.80 0.00  1.77 
assign (resid  47  and name HG# ) (resid 58 and name HD# ) 1.80 0.00  1.89 
assign (resid  18  and name HA ) (resid 58 and name HD# ) 1.80 0.00  2.97 
assign (resid  49  and name HZ ) (resid 58 and name HD# ) 1.80 0.00  1.40 
assign (resid  58  and name HN ) (resid 58 and name HD# ) 1.80 0.00  3.27 
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assign (resid  62  and name HB# ) (resid 63 and name HD# ) 1.80 0.00  3.70 
assign (resid  16  and name HB ) (resid 63 and name HD# ) 1.80 0.00  2.97 
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assign (resid  63  and name HG ) (resid 63 and name HD# ) 1.80 0.00  1.59 
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assign (resid  72  and name HA ) (resid 72 and name HG# ) 1.80 0.00  2.22 
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assign (resid  72  and name HN ) (resid 72 and name HG# ) 1.80 0.00  2.07 
assign (resid  87  and name HH2 ) (resid 92 and name HB# ) 1.80 0.00  1.82 
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assign (resid  26  and name HD1 ) (resid 49 and name HB# ) 1.80 0.00  2.14 
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assign (resid  49  and name HB# ) (resid 52 and name HG2# ) 1.80 0.00  2.42 
assign (resid  84  and name HA ) (resid 87 and name HB# ) 1.80 0.00  2.16 
assign (resid  84  and name HA ) (resid 87 and name HB# ) 1.80 0.00  2.30 
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assign (resid  87  and name HN ) (resid 87 and name HB# ) 1.80 0.00  1.57 
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assign (resid  35  and name HA ) (resid 35 and name HG# ) 1.80 0.00  1.75 
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assign (resid  49  and name HA ) (resid 49 and name HB# ) 1.80 0.00  1.82 
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assign (resid  26  and name HD1 ) (resid 49 and name HA ) 1.80 0.00  2.58 
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assign (resid  45  and name HA ) (resid 45 and name HD# ) 1.80 0.00  2.16 
assign (resid  45  and name HA ) (resid 45 and name HE# ) 1.80 0.00  3.61 
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assign (resid  45  and name HA ) (resid 45 and name HB# ) 1.80 0.00  1.94 
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assign (resid  90  and name HN ) (resid 90 and name HA ) 1.80 0.00  1.94 
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assign (resid  86  and name HA ) (resid 86 and name HB# ) 1.80 0.00  1.98 
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assign (resid  86  and name HA ) (resid 86 and name HG ) 1.80 0.00  2.09 
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assign (resid  86  and name HA ) (resid 89 and name HG2# ) 1.80 0.00  1.10 
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assign (resid  30  and name HA ) (resid 30 and name HG1# ) 1.80 0.00  1.97 
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assign (resid  27  and name HA ) (resid 89 and name HD1# ) 1.80 0.00  1.61 
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assign (resid  41  and name HA ) (resid 44 and name HE# ) 1.80 0.00  3.70 
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assign (resid  67  and name HA ) (resid 67 and name HG# ) 1.80 0.00  1.71 
assign (resid  67  and name HA ) (resid 67 and name HB# ) 1.80 0.00  1.09 
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assign (resid  67  and name HA ) (resid 70 and name HD# ) 1.80 0.00  1.93 
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assign (resid  88  and name HA ) (resid 88 and name HG# ) 1.80 0.00  1.99 
assign (resid  88  and name HA ) (resid 90 and name HN ) 1.80 0.00  3.70 
assign (resid  87  and name HE3 ) (resid 88 and name HA ) 1.80 0.00  2.35 
assign (resid  87  and name HZ3 ) (resid 88 and name HA ) 1.80 0.00  1.56 
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assign (resid  45  and name HD# ) (resid 59 and name HA# ) 1.80 0.00  2.78 
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assign (resid  89  and name HA ) (resid 89 and name HG2# ) 1.80 0.00  1.52 
assign (resid  89  and name HA ) (resid 89 and name HD1# ) 1.80 0.00  2.61 
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assign (resid  57  and name HD# ) (resid 57 and name HB# ) 1.80 0.00  1.75 
assign (resid  57  and name HD# ) (resid 57 and name HB# ) 1.80 0.00  1.58 
assign (resid  57  and name HA ) (resid 57 and name HB# ) 1.80 0.00  2.04 
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assign (resid  44  and name HB# ) (resid 59 and name HN ) 1.80 0.00  2.74 
assign (resid  58  and name HD# ) (resid 59 and name HN ) 1.80 0.00  2.89 
assign (resid  58  and name HD# ) (resid 59 and name HN ) 1.80 0.00  3.70 
assign (resid  70  and name HB# ) (resid 71 and name HN ) 1.80 0.00  3.17 
assign (resid  70  and name HB# ) (resid 71 and name HN ) 1.80 0.00  3.39 
assign (resid  70  and name HA ) (resid 71 and name HN ) 1.80 0.00  3.11 
assign (resid  9  and name HN ) (resid 9 and name HA ) 1.80 0.00  2.01 
assign (resid  9  and name HN ) (resid 9 and name HG# ) 1.80 0.00  2.52 
assign (resid  96  and name HB# ) (resid 97 and name HN ) 1.80 0.00  1.88 
assign (resid  38  and name HB ) (resid 39 and name HN ) 1.80 0.00  3.70 
assign (resid  6  and name HA ) (resid 7 and name HN ) 1.80 0.00  2.38 
assign (resid  86  and name HN ) (resid 86 and name HG ) 1.80 0.00  1.98 
assign (resid  83  and name HB# ) (resid 86 and name HN ) 1.80 0.00  2.54 
assign (resid  85  and name HN ) (resid 86 and name HN ) 1.80 0.00  2.39 
assign (resid  86  and name HN ) (resid 88 and name HN ) 1.80 0.00  3.70 
assign (resid  84  and name HN ) (resid 86 and name HN ) 1.80 0.00  3.70 
assign (resid  14  and name HN ) (resid 30 and name HG2# ) 1.80 0.00  3.26 
assign (resid  14  and name HN ) (resid 30 and name HG1# ) 1.80 0.00  3.70 
assign (resid  12  and name HB# ) (resid 14 and name HN ) 1.80 0.00  3.70 
assign (resid  14  and name HN ) (resid 14 and name HA ) 1.80 0.00  2.75 
assign (resid  14  and name HN ) (resid 30 and name HN ) 1.80 0.00  2.96 
assign (resid  11  and name HN ) (resid 14 and name HN ) 1.80 0.00  3.61 
assign (resid  13  and name HN ) (resid 14 and name HN ) 1.80 0.00  2.24 
assign (resid  22  and name HN ) (resid 23 and name HN ) 1.80 0.00  2.08 
assign (resid  20  and name HN ) (resid 23 and name HN ) 1.80 0.00  2.70 
assign (resid  100  and name HN ) (resid 100 and name HA ) 1.80 0.00  2.86 
assign (resid  52  and name HA ) (resid 54 and name HN ) 1.80 0.00  3.20 
assign (resid  49  and name HB# ) (resid 54 and name HN ) 1.80 0.00  2.16 
assign (resid  54  and name HN ) (resid 55 and name HN ) 1.80 0.00  3.70 
assign (resid  46  and name HG# ) (resid 46 and name HE2# ) 1.80 0.00  2.26 
assign (resid  69  and name HN ) (resid 70 and name HG# ) 1.80 0.00  3.50 
assign (resid  69  and name HN ) (resid 70 and name HB# ) 1.80 0.00  3.70 
assign (resid  68  and name HG# ) (resid 69 and name HN ) 1.80 0.00  3.65 
assign (resid  67  and name HA ) (resid 69 and name HN ) 1.80 0.00  3.70 
assign (resid  67  and name HN ) (resid 69 and name HN ) 1.80 0.00  3.70 
assign (resid  10  and name HN ) (resid 11 and name HN ) 1.80 0.00  3.43 
assign (resid  9  and name HN ) (resid 10 and name HN ) 1.80 0.00  3.05 
assign (resid  9  and name HA ) (resid 10 and name HN ) 1.80 0.00  1.53 
assign (resid  10  and name HN ) (resid 10 and name HB# ) 1.80 0.00  1.92 
assign (resid  8  and name HD# ) (resid 10 and name HN ) 1.80 0.00  3.70 
assign (resid  8  and name HG# ) (resid 10 and name HN ) 1.80 0.00  3.69 
assign (resid  94  and name HN ) (resid 95 and name HB ) 1.80 0.00  3.29 
assign (resid  94  and name HN ) (resid 94 and name HB ) 1.80 0.00  2.75 
assign (resid  92  and name HA ) (resid 94 and name HN ) 1.80 0.00  3.28 
assign (resid  94  and name HN ) (resid 95 and name HN ) 1.80 0.00  1.88 
assign (resid  92  and name HD2# ) (resid 94 and name HN ) 1.80 0.00  3.42 
assign (resid  61  and name HN ) (resid 63 and name HN ) 1.80 0.00  3.70 
assign (resid  63  and name HN ) (resid 64 and name HN ) 1.80 0.00  3.70 
assign (resid  62  and name HN ) (resid 63 and name HN ) 1.80 0.00  1.84 
assign (resid  60  and name HB# ) (resid 63 and name HN ) 1.80 0.00  3.70 
assign (resid  61  and name HB# ) (resid 63 and name HN ) 1.80 0.00  3.70 
assign (resid  69  and name HA ) (resid 72 and name HN ) 1.80 0.00  3.43 
assign (resid  72  and name HN ) (resid 74 and name HN ) 1.80 0.00  3.19 
assign (resid  71  and name HN ) (resid 72 and name HN ) 1.80 0.00  2.15 
assign (resid  74  and name HN ) (resid 75 and name HN ) 1.80 0.00  2.57 
assign (resid  73  and name HA ) (resid 75 and name HN ) 1.80 0.00  3.01 
assign (resid  75  and name HN ) (resid 75 and name HB# ) 1.80 0.00  1.67 
assign (resid  75  and name HN ) (resid 86 and name HD# ) 1.80 0.00  3.17 
assign (resid  91  and name HN ) (resid 91 and name HD2# ) 1.80 0.00  3.38 
assign (resid  89  and name HD1# ) (resid 90 and name HN ) 1.80 0.00  3.70 
assign (resid  26  and name HE1 ) (resid 85 and name HN ) 1.80 0.00  2.45 
assign (resid  51  and name HN ) (resid 84 and name HB# ) 1.80 0.00  3.70 
assign (resid  51  and name HN ) (resid 88 and name HG# ) 1.80 0.00  3.70 
assign (resid  78  and name HD# ) (resid 80 and name HN ) 1.80 0.00  3.70 
assign (resid  29  and name HA ) (resid 29 and name HE ) 1.80 0.00  3.34 
assign (resid  29  and name HD# ) (resid 29 and name HE ) 1.80 0.00  2.32 

hdgf_rdc_HN.tbl
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid   9  and name N  )
       ( resid   9  and name HN )  5.4000  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  10  and name N  )
       ( resid  10  and name HN )  9.4800  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  11  and name N  )
       ( resid  11  and name HN )  -7.6000  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  12  and name N  )
       ( resid  12  and name HN )  -13.2000  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  13  and name N  )
       ( resid  13  and name HN )  15.1300  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  15  and name N  )
       ( resid  15  and name HN )  9.0800  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  16  and name N  )
       ( resid  16  and name HN )  -6.6600  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  17  and name N  )
       ( resid  17  and name HN )  -10.6900  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  18  and name N  )
       ( resid  18  and name HN )  -9.3700  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  19  and name N  )
       ( resid  19  and name HN )  -13.4100  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  20  and name N  )
       ( resid  20  and name HN )  -9.1700  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  25  and name N  )
       ( resid  25  and name HN )  -4.2300  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  26  and name N  )
       ( resid  26  and name HN )  -5.0300  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  28  and name N  )
       ( resid  28  and name HN )  -5.5000  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  29  and name N  )
       ( resid  29  and name HN )  3.9300  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  30  and name N  )
       ( resid  30  and name HN )  9.3900  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  31  and name N  )
       ( resid  31  and name HN )  16.0900  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  32  and name N  )
       ( resid  32  and name HN )  0.9600  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  33  and name N  )
       ( resid  33  and name HN )  1.4200  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  44  and name N  )
       ( resid  44  and name HN )  -5.7000  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  45  and name N  )
       ( resid  45  and name HN )  -2.3100  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  47  and name N  )
       ( resid  47  and name HN )  17.9500  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  48  and name N  )
       ( resid  48  and name HN )  5.0500  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  49  and name N  )
       ( resid  49  and name HN )  1.1200  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  52  and name N  )
       ( resid  52  and name HN )  -7.9700  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  53  and name N  )
       ( resid  53  and name HN )  -3.0200  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  54  and name N  )
       ( resid  54  and name HN )  -7.5100  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  55  and name N  )
       ( resid  55  and name HN )  4.4500  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  56  and name N  )
       ( resid  56  and name HN )  13.6100  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  57  and name N  )
       ( resid  57  and name HN )  14.3800  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  58  and name N  )
       ( resid  58  and name HN )  14.3600  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  59  and name N  )
       ( resid  59  and name HN )  5.2400  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  61  and name N  )
       ( resid  61  and name HN )  0.6100  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  62  and name N  )
       ( resid  62  and name HN )  -9.4100  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  63  and name N  )
       ( resid  63  and name HN )  -11.5400  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  64  and name N  )
       ( resid  64  and name HN )  -9.6200  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  66  and name N  )
       ( resid  66  and name HN )  -7.7100  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  67  and name N  )
       ( resid  67  and name HN )  -9.4300  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  68  and name N  )
       ( resid  68  and name HN )  -9.2600  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  69  and name N  )
       ( resid  69  and name HN )  -2.9200  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  70  and name N  )
       ( resid  70  and name HN )  1.6100  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  71  and name N  )
       ( resid  71  and name HN )  -7.7200  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  72  and name N  )
       ( resid  72  and name HN )  -8.7700  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  73  and name N  )
       ( resid  73  and name HN )  0.9100  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  74  and name N  )
       ( resid  74  and name HN )  -0.8100  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  75  and name N  )
       ( resid  75  and name HN )  3.8300  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  77  and name N  )
       ( resid  77  and name HN )  4.2400  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  79  and name N  )
       ( resid  79  and name HN )  -4.3900  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  81  and name N  )
       ( resid  81  and name HN )  -8.3100  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  82  and name N  )
       ( resid  82  and name HN )  5.3500  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  83  and name N  )
       ( resid  83  and name HN )  2.6200  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  84  and name N  )
       ( resid  84  and name HN )  11.3400  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  85  and name N  )
       ( resid  85  and name HN )  11.9500  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  86  and name N  )
       ( resid  86  and name HN )  1.0600  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  87  and name N  )
       ( resid  87  and name HN )  5.8600  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  88  and name N  )
       ( resid  88  and name HN )  14.2700  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  89  and name N  )
       ( resid  89  and name HN )  8.2700  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  90  and name N  )
       ( resid  90  and name HN )  -3.5700  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  91  and name N  )
       ( resid  91  and name HN )  13.5100  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  92  and name N  )
       ( resid  92  and name HN )  11.5000  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  94  and name N  )
       ( resid  94  and name HN )  5.1000  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  95  and name N  )
       ( resid  95  and name HN )  -7.1600  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  96  and name N  )
       ( resid  96  and name HN )  3.3300  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid 100  and name N  )
       ( resid 100  and name HN )  -14.8200  2.0000
!!Trp side-chain
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  26  and name NE1)
       ( resid  26  and name HE1)  5.00  2.0000

hdgf_rdc_HNCo_scaled.tbl
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  87  and name NE1)
       ( resid  87  and name HE1)  7.800  2.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid   9  and name HN )
       ( resid   8  and name C  )  11.8400  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  10  and name HN )
       ( resid   9  and name C  )  3.7440  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  11  and name HN )
       ( resid  10  and name C  )  0.4800  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  12  and name HN )
       ( resid  11  and name C  )  -8.1920  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  13  and name HN )
       ( resid  12  and name C  )  -10.5920  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  14  and name HN )
       ( resid  13  and name C  )  1.7280  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  15  and name HN )
       ( resid  14  and name C  )  2.7200  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  16  and name HN )
       ( resid  15  and name C  )  7.0400  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  18  and name HN )
       ( resid  17  and name C  )  -1.9840  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  19  and name HN )
       ( resid  18  and name C  )  -5.8880  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  20  and name HN )
       ( resid  19  and name C  )  -12.6720  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  25  and name HN )
       ( resid  24  and name C  )  -4.0000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  26  and name HN )
       ( resid  25  and name C  )  -9.4080  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  28  and name HN )
       ( resid  27  and name C  )  -7.4240  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  29  and name HN )
       ( resid  28  and name C  )  -5.3760  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  30  and name HN )
       ( resid  29  and name C  )  0.0960  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  31  and name HN )
       ( resid  30  and name C  )  9.6960  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  32  and name HN )
       ( resid  31  and name C  )  6.2400  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  33  and name HN )
       ( resid  32  and name C  )  -7.1040  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  42  and name HN )
       ( resid  41  and name C  )  0.7360  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  44  and name HN )
       ( resid  43  and name C  )  -1.5040  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  45  and name HN )
       ( resid  44  and name C  )  -12.5120  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  47  and name HN )
       ( resid  46  and name C  )  5.9520  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  48  and name HN )
       ( resid  47  and name C  )  12.0000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  49  and name HN )
       ( resid  48  and name C  )  1.2480  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  52  and name HN )
       ( resid  51  and name C  )  -1.0880  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  53  and name HN )
       ( resid  52  and name C  )  -0.5760  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  54  and name HN )
       ( resid  53  and name C  )  0.8960  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  55  and name HN )
       ( resid  54  and name C  )  4.4800  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  56  and name HN )
       ( resid  55  and name C  )  -1.2160  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  57  and name HN )
       ( resid  56  and name C  )  17.6000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  58  and name HN )
       ( resid  57  and name C  )  11.7120  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  59  and name HN )
       ( resid  58  and name C  )  5.0240  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  61  and name HN )
       ( resid  60  and name C  )  14.7840  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  62  and name HN )
       ( resid  61  and name C  )  -6.4000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  63  and name HN )
       ( resid  62  and name C  )  -9.7280  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  64  and name HN )
       ( resid  63  and name C  )  -4.3520  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  66  and name HN )
       ( resid  65  and name C  )  -0.7360  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  67  and name HN )
       ( resid  66  and name C  )  -0.5760  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  68  and name HN )
       ( resid  67  and name C  )  -5.8560  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  69  and name HN )
       ( resid  68  and name C  )  -4.5440  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  70  and name HN )
       ( resid  69  and name C  )  11.0720  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  71  and name HN )
       ( resid  70  and name C  )  -0.1280  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  72  and name HN )
       ( resid  71  and name C  )  -10.3680  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  73  and name HN )
       ( resid  72  and name C  )  0.4160  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  74  and name HN )
       ( resid  73  and name C  )  10.6240  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  75  and name HN )
       ( resid  74  and name C  )  12.9920  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  77  and name HN )
       ( resid  76  and name C  )  -2.9440  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  79  and name HN )
       ( resid  78  and name C  )  -9.9840  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  81  and name HN )
       ( resid  80  and name C  )  7.6480  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  82  and name HN )
       ( resid  81  and name C  )  1.7920  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  83  and name HN )
       ( resid  82  and name C  )  -10.6560  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  84  and name HN )
       ( resid  83  and name C  )  0.8640  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  85  and name HN )
       ( resid  84  and name C  )  8.1920  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  86  and name HN )
       ( resid  85  and name C  )  -6.0480  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  87  and name HN )
       ( resid  86  and name C  )  -5.5360  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  88  and name HN )
       ( resid  87  and name C  )  13.0240  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  89  and name HN )
       ( resid  88  and name C  )  8.9920  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  90  and name HN )
       ( resid  89  and name C  )  -14.1120  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  91  and name HN )
       ( resid  90  and name C  )  -3.8720  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  92  and name HN )
       ( resid  91  and name C  )  15.7760  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  94  and name HN )
       ( resid  93  and name C  )  8.5120  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  95  and name HN )
       ( resid  94  and name C  )  -9.0240  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  96  and name HN )
       ( resid  95  and name C  )  -7.2320  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid   9  and name N  )
       ( resid   8  and name C  )  4.4198  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  10  and name N  )
       ( resid   9  and name C  )  -4.2953  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  11  and name N  )
       ( resid  10  and name C  )  9.7110  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  12  and name N  )
       ( resid  11  and name C  )  -2.2618  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  13  and name N  )
       ( resid  12  and name C  )  -13.0103  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  14  and name N  )
       ( resid  13  and name C  )  -0.1660  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  15  and name N  )
       ( resid  14  and name C  )  -7.9888  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  16  and name N  )
       ( resid  15  and name C  )  11.2465  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  17  and name N  )
       ( resid  16  and name C  )  4.7103  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  18  and name N  )
       ( resid  17  and name C  )  2.0750  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  19  and name N  )
       ( resid  18  and name C  )  4.7310  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  20  and name N  )
       ( resid  19  and name C  )  -6.5985  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  21  and name N  )
       ( resid  20  and name C  )  16.3303  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  25  and name N  )
       ( resid  24  and name C  )  -2.3447  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  26  and name N  )
       ( resid  25  and name C  )  -4.5650  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  28  and name N  )
       ( resid  27  and name C  )  -11.9935  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  29  and name N  )
       ( resid  28  and name C  )  -9.1508  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  30  and name N  )
       ( resid  29  and name C  )  -10.4787  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  31  and name N  )
       ( resid  30  and name C  )  2.8428  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  32  and name N  )
       ( resid  31  and name C  )  1.5563  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  33  and name N  )
       ( resid  32  and name C  )  -11.0183  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  42  and name N  )
       ( resid  41  and name C  )  0.9338  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  44  and name N  )
       ( resid  43  and name C  )  -3.3615  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  45  and name N  )
       ( resid  44  and name C  )  -4.3990  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  47  and name N  )
       ( resid  46  and name C  )  -5.0630  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  48  and name N  )
       ( resid  47  and name C  )  10.7485  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  49  and name N  )
       ( resid  48  and name C  )  -0.8508  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  52  and name N  )
       ( resid  51  and name C  )  8.1755  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  53  and name N  )
       ( resid  52  and name C  )  -2.1995  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  54  and name N  )
       ( resid  53  and name C  )  9.1715  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  55  and name N  )
       ( resid  54  and name C  )  -2.8843  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  56  and name N  )
       ( resid  55  and name C  )  -9.7110  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  57  and name N  )
       ( resid  56  and name C  )  4.8970  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  58  and name N  )
       ( resid  57  and name C  )  5.1253  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  59  and name N  )
       ( resid  58  and name C  )  0.3943  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  61  and name N  )
       ( resid  60  and name C  )  16.7660  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  62  and name N  )
       ( resid  61  and name C  )  -3.1955  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  63  and name N  )
       ( resid  62  and name C  )  3.5898  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  64  and name N  )
       ( resid  63  and name C  )  3.7558  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  66  and name N  )
       ( resid  65  and name C  )  -0.1245  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  67  and name N  )
       ( resid  66  and name C  )  8.5905  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  68  and name N  )
       ( resid  67  and name C  )  -1.0583  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  69  and name N  )
       ( resid  68  and name C  )  -1.9298  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  70  and name N  )
       ( resid  69  and name C  )  12.9480  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  71  and name N  )
       ( resid  70  and name C  )  -6.8890  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  72  and name N  )
       ( resid  71  and name C  )  -1.1827  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  73  and name N  )
       ( resid  72  and name C  )  -5.8723  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  74  and name N  )
       ( resid  73  and name C  )  14.0270  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  75  and name N  )
       ( resid  74  and name C  )  8.8603  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  77  and name N  )
       ( resid  76  and name C  )  -0.4358  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  79  and name N  )
       ( resid  78  and name C  )  -11.3503  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  81  and name N  )
       ( resid  80  and name C  )  19.0900  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  82  and name N  )
       ( resid  81  and name C  )  -3.7973  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  83  and name N  )
       ( resid  82  and name C  )  -12.6990  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  84  and name N  )
       ( resid  83  and name C  )  -2.3655  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  85  and name N  )
       ( resid  84  and name C  )  6.1213  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  86  and name N  )
       ( resid  85  and name C  )  -9.2130  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  87  and name N  )
       ( resid  86  and name C  )  -8.2170  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  88  and name N  )
       ( resid  87  and name C  )  3.4445  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  89  and name N  )
       ( resid  88  and name C  )  3.6105  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  90  and name N  )
       ( resid  89  and name C  )  -7.6983  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  91  and name N  )
       ( resid  90  and name C  )  -5.7893  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  92  and name N  )
       ( resid  91  and name C  )  9.5450  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  94  and name N  )
       ( resid  93  and name C  )  4.5857  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  95  and name N  )
       ( resid  94  and name C  )  -7.7813  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  96  and name N  )
       ( resid  95  and name C  )  -5.6855  3.0000

hdgf_jhnha.tbl
assign (resid   10  and name c ) (resid  11 and name n )
       (resid   11  and name ca) (resid  11 and name c )   8.2  2.0 
assign (resid   11  and name c ) (resid  12 and name n )
       (resid   12  and name ca) (resid  12 and name c )   3.4  2.0 
assign (resid   14  and name c ) (resid  15 and name n )
       (resid   15  and name ca) (resid  15 and name c )   8.4  2.0 
assign (resid   15  and name c ) (resid  16 and name n )
       (resid   16  and name ca) (resid  16 and name c )   9.3  2.0 
assign (resid   16  and name c ) (resid  17 and name n )
       (resid   17  and name ca) (resid  17 and name c )   10.1  2.0 
assign (resid   18  and name c ) (resid  19 and name n )
       (resid   19  and name ca) (resid  19 and name c )   8.2  2.0 
assign (resid   19  and name c ) (resid  20 and name n )
       (resid   20  and name ca) (resid  20 and name c )   10.0  2.0 
assign (resid   25  and name c ) (resid  26 and name n )
       (resid   26  and name ca) (resid  26 and name c )   8.5  2.0 
assign (resid   27  and name c ) (resid  28 and name n )
       (resid   28  and name ca) (resid  28 and name c )   8.2  2.0 
assign (resid   28  and name c ) (resid  29 and name n )
       (resid   29  and name ca) (resid  29 and name c )   9.4  2.0 
assign (resid   30  and name c ) (resid  31 and name n )
       (resid   31  and name ca) (resid  31 and name c )   10.2  2.0 
assign (resid   31  and name c ) (resid  32 and name n )
       (resid   32  and name ca) (resid  32 and name c )   6.5  2.0 
assign (resid   32  and name c ) (resid  33 and name n )
       (resid   33  and name ca) (resid  33 and name c )   7.5  2.0 
assign (resid   35  and name c ) (resid  36 and name n )
       (resid   36  and name ca) (resid  36 and name c )   5.8  2.0 
assign (resid   37  and name c ) (resid  38 and name n )
       (resid   38  and name ca) (resid  38 and name c )   7.9  2.0 
assign (resid   38  and name c ) (resid  39 and name n )
       (resid   39  and name ca) (resid  39 and name c )   6.3  2.0 
assign (resid   41  and name c ) (resid  42 and name n )
       (resid   42  and name ca) (resid  42 and name c )   5.6  2.0 
assign (resid   42  and name c ) (resid  43 and name n )
       (resid   43  and name ca) (resid  43 and name c )   7.5  2.0 
assign (resid   43  and name c ) (resid  44 and name n )
       (resid   44  and name ca) (resid  44 and name c )   9.1  2.0 
assign (resid   44  and name c ) (resid  45 and name n )
       (resid   45  and name ca) (resid  45 and name c )   7.6  2.0 
assign (resid   45  and name c ) (resid  46 and name n )
       (resid   46  and name ca) (resid  46 and name c )   9.1  2.0 
assign (resid   46  and name c ) (resid  47 and name n )
       (resid   47  and name ca) (resid  47 and name c )   9.7  2.0 
assign (resid   47  and name c ) (resid  48 and name n )
       (resid   48  and name ca) (resid  48 and name c )   9.6  2.0 
assign (resid   48  and name c ) (resid  49 and name n )
       (resid   49  and name ca) (resid  49 and name c )   7.9  2.0 
assign (resid   51  and name c ) (resid  52 and name n )
       (resid   52  and name ca) (resid  52 and name c )   8.3  2.0 
assign (resid   52  and name c ) (resid  53 and name n )
       (resid   53  and name ca) (resid  53 and name c )   7.6  2.0 
assign (resid   53  and name c ) (resid  54 and name n )
       (resid   54  and name ca) (resid  54 and name c )   8.5  2.0 
assign (resid   54  and name c ) (resid  55 and name n )
       (resid   55  and name ca) (resid  55 and name c )   10.1  2.0 
assign (resid   55  and name c ) (resid  56 and name n )
       (resid   56  and name ca) (resid  56 and name c )   7.8  2.0 
assign (resid   56  and name c ) (resid  57 and name n )
       (resid   57  and name ca) (resid  57 and name c )   9.3  2.0 
assign (resid   57  and name c ) (resid  58 and name n )
       (resid   58  and name ca) (resid  58 and name c )   8.4  2.0 
assign (resid   60  and name c ) (resid  61 and name n )
       (resid   61  and name ca) (resid  61 and name c )   5.0  2.0 
assign (resid   61  and name c ) (resid  62 and name n )
       (resid   62  and name ca) (resid  62 and name c )   9.5  2.0 
assign (resid   62  and name c ) (resid  63 and name n )
       (resid   63  and name ca) (resid  63 and name c )   9.4  2.0 
assign (resid   63  and name c ) (resid  64 and name n )
       (resid   64  and name ca) (resid  64 and name c )   10.2  2.0 
assign (resid   66  and name c ) (resid  67 and name n )
       (resid   67  and name ca) (resid  67 and name c )   3.4  2.0 
assign (resid   67  and name c ) (resid  68 and name n )
       (resid   68  and name ca) (resid  68 and name c )   5.5  2.0 
assign (resid   68  and name c ) (resid  69 and name n )
       (resid   69  and name ca) (resid  69 and name c )   9.6  2.0 
assign (resid   69  and name c ) (resid  70 and name n )
       (resid   70  and name ca) (resid  70 and name c )   3.0  2.0 
assign (resid   70  and name c ) (resid  71 and name n )
       (resid   71  and name ca) (resid  71 and name c )   5.0  2.0 
assign (resid   71  and name c ) (resid  72 and name n )
       (resid   72  and name ca) (resid  72 and name c )   7.4  2.0 
assign (resid   72  and name c ) (resid  73 and name n )
       (resid   73  and name ca) (resid  73 and name c )   9.4  2.0 
assign (resid   74  and name c ) (resid  75 and name n )
       (resid   75  and name ca) (resid  75 and name c )   8.0  2.0 
assign (resid   76  and name c ) (resid  77 and name n )
       (resid   77  and name ca) (resid  77 and name c )   8.8  2.0 
assign (resid   78  and name c ) (resid  79 and name n )
       (resid   79  and name ca) (resid  79 and name c )   4.4  2.0 
assign (resid   81  and name c ) (resid  82 and name n )
       (resid   82  and name ca) (resid  82 and name c )   4.2  2.0 
assign (resid   82  and name c ) (resid  83 and name n )
       (resid   83  and name ca) (resid  83 and name c )   3.4  2.0 
assign (resid   85  and name c ) (resid  86 and name n )
       (resid   86  and name ca) (resid  86 and name c )   4.7  2.0 
assign (resid   86  and name c ) (resid  87 and name n )
       (resid   87  and name ca) (resid  87 and name c )   5.0  2.0 
assign (resid   87  and name c ) (resid  88 and name n )
       (resid   88  and name ca) (resid  88 and name c )   4.6  2.0 
assign (resid   88  and name c ) (resid  89 and name n )
       (resid   89  and name ca) (resid  89 and name c )   3.0  2.0 
assign (resid   89  and name c ) (resid  90 and name n )
       (resid   90  and name ca) (resid  90 and name c )   8.5  2.0 
assign (resid   91  and name c ) (resid  92 and name n )
       (resid   92  and name ca) (resid  92 and name c )   7.1  2.0 
assign (resid   93  and name c ) (resid  94 and name n )
       (resid   94  and name ca) (resid  94 and name c )   9.3  2.0 

hdgf_rdc_CoCa_scaled.tbl
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid   9  and name C  )
       ( resid   9  and name CA )  -3.1000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  10  and name C  )
       ( resid  10  and name CA )  1.9000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  11  and name C  )
       ( resid  11  and name CA )  -10.0000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  12  and name C  )
       ( resid  12  and name CA )  -1.2500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  13  and name C  )
       ( resid  13  and name CA )  -6.9000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  14  and name C  )
       ( resid  14  and name CA )  -8.1000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  15  and name C  )
       ( resid  15  and name CA )  6.9000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  16  and name C  )
       ( resid  16  and name CA )  -0.6000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  17  and name C  )
       ( resid  17  and name CA )  5.6000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  18  and name C  )
       ( resid  18  and name CA )  5.6500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  19  and name C  )
       ( resid  19  and name CA )  6.9000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  24  and name C  )
       ( resid  24  and name CA )  0.0500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  25  and name C  )
       ( resid  25  and name CA )  7.5000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  27  and name C  )
       ( resid  27  and name CA )  -10.0000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  28  and name C  )
       ( resid  28  and name CA )  3.8000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  29  and name C  )
       ( resid  29  and name CA )  -9.9500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  30  and name C  )
       ( resid  30  and name CA )  6.9000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  31  and name C  )
       ( resid  31  and name CA )  -9.9500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  32  and name C  )
       ( resid  32  and name CA )  1.9500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  43  and name C  )
       ( resid  43  and name CA )  -11.8000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  44  and name C  )
       ( resid  44  and name CA )  12.9500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  46  and name C  )
       ( resid  46  and name CA )  5.2000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  47  and name C  )
       ( resid  47  and name CA )  -16.2000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  48  and name C  )
       ( resid  48  and name CA )  -10.2000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  51  and name C  )
       ( resid  51  and name CA )  3.3000  3.0000 
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  52  and name C  )
       ( resid  52  and name CA )  -9.7000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  53  and name C  )
       ( resid  53  and name CA )  8.0000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  54  and name C  )
       ( resid  54  and name CA )  -13.2000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  55  and name C  )
       ( resid  55  and name CA )  11.9000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  56  and name C  )
       ( resid  56  and name CA )  -12.4000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  57  and name C  )
       ( resid  57  and name CA )  -2.2000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  58  and name C  )
       ( resid  58  and name CA )  -10.0000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  60  and name C  )
       ( resid  60  and name CA )  -2.1000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  61  and name C  )
       ( resid  61  and name CA )  -15.4000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  62  and name C  )
       ( resid  62  and name CA )  15.8500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  63  and name C  )
       ( resid  63  and name CA )  -2.5000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  65  and name C  )
       ( resid  65  and name CA )  -12.3500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  66  and name C  )
       ( resid  66  and name CA )  2.8000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  67  and name C  )
       ( resid  67  and name CA )  -1.0500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  68  and name C  )
       ( resid  68  and name CA )  3.6500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  69  and name C  )
       ( resid  69  and name CA )  -13.5500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  71  and name C  )
       ( resid  71  and name CA )  19.7500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  72  and name C  )
       ( resid  72  and name CA )  -0.4500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  73  and name C  )
       ( resid  73  and name CA )  -3.3500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  74  and name C  )
       ( resid  74  and name CA )  -14.5500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  76  and name C  )
       ( resid  76  and name CA )  18.1500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  78  and name C  )
       ( resid  78  and name CA )  -2.1500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  80  and name C  )
       ( resid  80  and name CA )  -1.5500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  81  and name C  )
       ( resid  81  and name CA )  -2.9000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  82  and name C  )
       ( resid  82  and name CA )  17.4500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  83  and name C  )
       ( resid  83  and name CA )  5.0000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  84  and name C  )
       ( resid  84  and name CA )  -12.3000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  85  and name C  )
       ( resid  85  and name CA )  4.9500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  86  and name C  )
       ( resid  86  and name CA )  14.5000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  87  and name C  )
       ( resid  87  and name CA )  -14.1000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  88  and name C  )
       ( resid  88  and name CA )  -9.2000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  89  and name C  )
       ( resid  89  and name CA )  18.0000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  90  and name C  )
       ( resid  90  and name CA )  7.4000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  91  and name C  )
       ( resid  91  and name CA )  -6.2500  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  93  and name C  )
       ( resid  93  and name CA )  -7.4000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  94  and name C  )
       ( resid  94  and name CA )  -2.0000  3.0000
assign ( resid 500  and name OO )
       ( resid 500  and name Z  )
       ( resid 500  and name X  )
       ( resid 500  and name Y  )
       ( resid  95  and name C  )
       ( resid  95  and name CA )  6.9500  3.0000

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    MET   1          1HT       MET   1 -35.172  -4.427  -3.317
    2   2H    MET   1          2HT       MET   1 -35.803  -4.441  -1.721
    3   3H    MET   1          3HT       MET   1 -34.262  -5.125  -2.043
    4    HA   MET   1           HA       MET   1 -35.058  -2.300  -2.112
    5   1HB   MET   1          2HB       MET   1 -33.900  -4.055  -0.186
    6   2HB   MET   1          1HB       MET   1 -32.668  -2.897  -0.668
    7   1HG   MET   1          2HG       MET   1 -33.768  -1.133   0.235
    8   2HG   MET   1          1HG       MET   1 -35.359  -1.838  -0.043
    9   1HE   MET   1          1HE       MET   1 -32.468  -3.454   3.064
   10   2HE   MET   1          2HE       MET   1 -32.399  -1.696   2.930
   11   3HE   MET   1          3HE       MET   1 -32.091  -2.701   1.514
   12    H    SER   2           H        SER   2 -34.274  -1.286  -3.840
   13    HA   SER   2           HA       SER   2 -31.748  -2.213  -5.014
   14   1HB   SER   2          2HB       SER   2 -34.206  -1.385  -6.159
   15   2HB   SER   2          1HB       SER   2 -33.005  -0.166  -6.586
   16    HG   SER   2           HG       SER   2 -31.679  -1.901  -7.344
   17    H    ARG   3           H        ARG   3 -30.311  -1.233  -3.581
   18    HA   ARG   3           HA       ARG   3 -30.266   1.712  -3.684
   19   1HB   ARG   3          2HB       ARG   3 -30.272  -0.018  -1.435
   20   2HB   ARG   3          1HB       ARG   3 -28.677   0.714  -1.517
   21   1HG   ARG   3          2HG       ARG   3 -31.194   2.341  -1.672
   22   2HG   ARG   3          1HG       ARG   3 -30.429   1.918  -0.140
   23   1HD   ARG   3          2HD       ARG   3 -28.659   3.062  -2.206
   24   2HD   ARG   3          1HD       ARG   3 -29.866   4.155  -1.530
   25    HE   ARG   3           HE       ARG   3 -28.709   2.955   0.640
   26   1HH1  ARG   3          1HH1      ARG   3 -27.554   4.831  -2.065
   27   2HH1  ARG   3          2HH1      ARG   3 -26.223   5.509  -1.189
   28   1HH2  ARG   3          1HH2      ARG   3 -26.959   3.846   1.797
   29   2HH2  ARG   3          2HH2      ARG   3 -25.885   4.950   1.005
   30    H    SER   4           H        SER   4 -29.060   1.477  -5.680
   31    HA   SER   4           HA       SER   4 -27.146   1.485  -6.908
   32   1HB   SER   4          2HB       SER   4 -25.789   1.759  -4.216
   33   2HB   SER   4          1HB       SER   4 -25.091   2.166  -5.784
   34    HG   SER   4           HG       SER   4 -26.093   4.007  -5.719
   35    H    ASN   5           H        ASN   5 -27.219  -0.597  -7.712
   36    HA   ASN   5           HA       ASN   5 -26.302  -2.858  -6.226
   37   1HB   ASN   5          2HB       ASN   5 -26.856  -2.486  -9.175
   38   2HB   ASN   5          1HB       ASN   5 -26.451  -4.032  -8.436
   39   1HD2  ASN   5          1HD2      ASN   5 -28.284  -5.142  -8.627
   40   2HD2  ASN   5          2HD2      ASN   5 -29.815  -4.647  -8.001
   41    H    ARG   6           H        ARG   6 -24.212  -2.211  -5.529
   42    HA   ARG   6           HA       ARG   6 -22.149  -2.808  -7.484
   43   1HB   ARG   6          2HB       ARG   6 -20.827  -0.813  -6.955
   44   2HB   ARG   6          1HB       ARG   6 -22.373  -0.383  -7.677
   45   1HG   ARG   6          2HG       ARG   6 -23.082  -0.237  -5.121
   46   2HG   ARG   6          1HG       ARG   6 -21.356   0.089  -4.938
   47   1HD   ARG   6          2HD       ARG   6 -23.353   1.603  -6.609
   48   2HD   ARG   6          1HD       ARG   6 -22.471   2.184  -5.198
   49    HE   ARG   6           HE       ARG   6 -20.727   1.361  -7.302
   50   1HH1  ARG   6          1HH1      ARG   6 -22.741   3.986  -6.189
   51   2HH1  ARG   6          2HH1      ARG   6 -21.839   5.199  -7.033
   52   1HH2  ARG   6          1HH2      ARG   6 -19.541   2.956  -8.412
   53   2HH2  ARG   6          2HH2      ARG   6 -20.024   4.616  -8.295
   54    H    GLN   7           H        GLN   7 -20.688  -4.109  -6.601
   55    HA   GLN   7           HA       GLN   7 -20.018  -3.843  -3.774
   56   1HB   GLN   7          2HB       GLN   7 -21.877  -5.526  -3.993
   57   2HB   GLN   7          1HB       GLN   7 -20.784  -6.516  -4.951
   58   1HG   GLN   7          2HG       GLN   7 -19.399  -5.846  -2.599
   59   2HG   GLN   7          1HG       GLN   7 -21.028  -6.315  -2.111
   60   1HE2  GLN   7          1HE2      GLN   7 -21.071  -8.352  -1.524
   61   2HE2  GLN   7          2HE2      GLN   7 -20.240  -9.658  -2.292
   62    H    LYS   8           H        LYS   8 -17.995  -3.120  -4.450
   63    HA   LYS   8           HA       LYS   8 -16.364  -4.832  -6.138
   64   1HB   LYS   8          2HB       LYS   8 -16.450  -2.201  -6.050
   65   2HB   LYS   8          1HB       LYS   8 -15.304  -2.412  -4.733
   66   1HG   LYS   8          2HG       LYS   8 -13.966  -3.845  -6.381
   67   2HG   LYS   8          1HG       LYS   8 -14.992  -3.130  -7.625
   68   1HD   LYS   8          2HD       LYS   8 -13.540  -1.423  -5.632
   69   2HD   LYS   8          1HD       LYS   8 -12.738  -2.003  -7.094
   70   1HE   LYS   8          2HE       LYS   8 -15.058  -1.041  -8.118
   71   2HE   LYS   8          1HE       LYS   8 -14.815   0.052  -6.757
   72   1HZ   LYS   8          1HZ       LYS   8 -13.783   0.897  -8.769
   73   2HZ   LYS   8          2HZ       LYS   8 -12.837  -0.499  -8.905
   74   3HZ   LYS   8          3HZ       LYS   8 -12.607   0.554  -7.602
   75    H    GLU   9           H        GLU   9 -14.159  -5.419  -5.439
   76    HA   GLU   9           HA       GLU   9 -13.652  -5.588  -2.601
   77   1HB   GLU   9          2HB       GLU   9 -14.729  -7.845  -4.128
   78   2HB   GLU   9          1HB       GLU   9 -13.237  -8.227  -3.277
   79   1HG   GLU   9          2HG       GLU   9 -14.534  -6.995  -1.302
   80   2HG   GLU   9          1HG       GLU   9 -15.920  -7.584  -2.218
   81    H    TYR  10           H        TYR  10 -11.494  -5.866  -2.133
   82    HA   TYR  10           HA       TYR  10  -9.693  -6.039  -4.466
   83   1HB   TYR  10          2HB       TYR  10  -9.306  -4.571  -1.846
   84   2HB   TYR  10          1HB       TYR  10  -8.086  -4.709  -3.109
   85    HD1  TYR  10           1HD      TYR  10  -8.364  -3.526  -5.238
   86    HD2  TYR  10           2HD      TYR  10 -11.189  -3.086  -2.088
   87    HE1  TYR  10           1HE      TYR  10  -9.290  -1.542  -6.356
   88    HE2  TYR  10           2HE      TYR  10 -12.123  -1.100  -3.196
   89    HH   TYR  10           HH       TYR  10 -10.568   0.484  -5.747
   90    H    LYS  11           H        LYS  11  -7.561  -7.008  -4.049
   91    HA   LYS  11           HA       LYS  11  -7.548  -8.896  -1.808
   92   1HB   LYS  11          2HB       LYS  11  -7.771  -9.530  -4.636
   93   2HB   LYS  11          1HB       LYS  11  -6.371 -10.300  -3.901
   94   1HG   LYS  11          2HG       LYS  11  -9.145 -10.482  -2.758
   95   2HG   LYS  11          1HG       LYS  11  -8.478 -11.653  -3.896
   96   1HD   LYS  11          2HD       LYS  11  -6.544 -11.904  -2.257
   97   2HD   LYS  11          1HD       LYS  11  -7.553 -11.027  -1.105
   98   1HE   LYS  11          2HE       LYS  11  -8.267 -13.090  -0.553
   99   2HE   LYS  11          1HE       LYS  11  -9.308 -12.884  -1.961
  100   1HZ   LYS  11          1HZ       LYS  11  -6.806 -13.858  -2.799
  101   2HZ   LYS  11          2HZ       LYS  11  -8.320 -14.601  -2.919
  102   3HZ   LYS  11          3HZ       LYS  11  -7.370 -14.837  -1.539
  103    H    CYS  12           H        CYS  12  -5.430  -9.814  -1.354
  104    HA   CYS  12           HA       CYS  12  -3.426  -7.927  -1.101
  105   1HB   CYS  12          2HB       CYS  12  -3.668 -10.138   0.125
  106   2HB   CYS  12          1HB       CYS  12  -2.911 -10.895  -1.271
  107    HG   CYS  12           HG       CYS  12  -1.213 -10.211   0.731
  108    H    GLY  13           H        GLY  13  -1.935  -7.097  -2.450
  109   1HA   GLY  13          2HA       GLY  13  -0.220  -7.326  -4.099
  110   2HA   GLY  13          1HA       GLY  13  -1.116  -8.667  -4.792
  111    H    ASP  14           H        ASP  14  -3.569  -6.754  -4.383
  112    HA   ASP  14           HA       ASP  14  -3.650  -5.875  -7.080
  113   1HB   ASP  14          2HB       ASP  14  -5.434  -5.663  -4.703
  114   2HB   ASP  14          1HB       ASP  14  -5.706  -4.536  -6.029
  115    H    LEU  15           H        LEU  15  -3.340  -3.884  -7.973
  116    HA   LEU  15           HA       LEU  15  -1.968  -1.918  -6.315
  117   1HB   LEU  15          2HB       LEU  15  -2.353  -2.115  -9.302
  118   2HB   LEU  15          1HB       LEU  15  -1.500  -0.804  -8.509
  119    HG   LEU  15           HG       LEU  15  -0.687  -3.707  -8.590
  120   1HD1  LEU  15          1HD1      LEU  15  -0.133  -2.615 -10.623
  121   2HD1  LEU  15          2HD1      LEU  15   1.347  -2.707  -9.669
  122   3HD1  LEU  15          3HD1      LEU  15   0.456  -1.188  -9.772
  123   1HD2  LEU  15          1HD2      LEU  15   1.415  -2.403  -7.486
  124   2HD2  LEU  15          2HD2      LEU  15   0.195  -3.285  -6.566
  125   3HD2  LEU  15          3HD2      LEU  15   0.062  -1.537  -6.758
  126    H    VAL  16           H        VAL  16  -3.072  -0.325  -5.418
  127    HA   VAL  16           HA       VAL  16  -5.277   0.894  -6.907
  128    HB   VAL  16           HB       VAL  16  -6.669   0.986  -4.862
  129   1HG1  VAL  16          1HG1      VAL  16  -5.912  -1.663  -6.048
  130   2HG1  VAL  16          2HG1      VAL  16  -7.325  -0.662  -6.381
  131   3HG1  VAL  16          3HG1      VAL  16  -7.196  -1.522  -4.847
  132   1HG2  VAL  16          1HG2      VAL  16  -6.117  -0.028  -2.880
  133   2HG2  VAL  16          2HG2      VAL  16  -4.525   0.504  -3.424
  134   3HG2  VAL  16          3HG2      VAL  16  -5.017  -1.175  -3.646
  135    H    PHE  17           H        PHE  17  -6.093   2.876  -5.718
  136    HA   PHE  17           HA       PHE  17  -3.791   4.391  -4.657
  137   1HB   PHE  17          2HB       PHE  17  -6.142   5.201  -6.353
  138   2HB   PHE  17          1HB       PHE  17  -5.280   6.393  -5.390
  139    HD1  PHE  17           1HD      PHE  17  -5.530   5.015  -8.531
  140    HD2  PHE  17           2HD      PHE  17  -2.607   6.181  -5.670
  141    HE1  PHE  17           1HE      PHE  17  -3.880   5.257 -10.330
  142    HE2  PHE  17           2HE      PHE  17  -0.944   6.426  -7.468
  143    HZ   PHE  17           HZ       PHE  17  -1.582   5.964  -9.811
  144    H    ALA  18           H        ALA  18  -4.022   5.414  -2.682
  145    HA   ALA  18           HA       ALA  18  -6.591   4.993  -1.318
  146   1HB   ALA  18          1HB       ALA  18  -3.871   4.472  -0.525
  147   2HB   ALA  18          2HB       ALA  18  -5.379   3.975   0.242
  148   3HB   ALA  18          3HB       ALA  18  -4.669   5.543   0.627
  149    H    LYS  19           H        LYS  19  -7.745   6.713  -0.773
  150    HA   LYS  19           HA       LYS  19  -6.575   9.356  -1.068
  151   1HB   LYS  19          2HB       LYS  19  -8.752   8.899  -2.118
  152   2HB   LYS  19          1HB       LYS  19  -9.434   8.523  -0.541
  153   1HG   LYS  19          2HG       LYS  19 -10.078  10.653  -0.499
  154   2HG   LYS  19          1HG       LYS  19  -8.391  11.023  -0.145
  155   1HD   LYS  19          2HD       LYS  19  -8.293  10.850  -2.836
  156   2HD   LYS  19          1HD       LYS  19  -9.944  11.431  -2.617
  157   1HE   LYS  19          2HE       LYS  19  -8.727  13.096  -0.946
  158   2HE   LYS  19          1HE       LYS  19  -7.359  12.758  -2.004
  159   1HZ   LYS  19          1HZ       LYS  19  -9.018  13.294  -3.871
  160   2HZ   LYS  19          2HZ       LYS  19  -8.355  14.576  -2.990
  161   3HZ   LYS  19          3HZ       LYS  19  -9.928  14.045  -2.658
  162    H    MET  20           H        MET  20  -6.160  10.735   0.545
  163    HA   MET  20           HA       MET  20  -7.017  10.008   3.265
  164   1HB   MET  20          2HB       MET  20  -4.292  11.075   2.507
  165   2HB   MET  20          1HB       MET  20  -4.835  10.681   4.132
  166   1HG   MET  20          2HG       MET  20  -5.060   8.482   2.214
  167   2HG   MET  20          1HG       MET  20  -3.413   9.036   2.504
  168   1HE   MET  20          1HE       MET  20  -2.383   6.757   4.542
  169   2HE   MET  20          2HE       MET  20  -2.309   8.138   5.641
  170   3HE   MET  20          3HE       MET  20  -2.075   8.375   3.910
  171    H    LYS  21           H        LYS  21  -7.276  11.774   4.723
  172    HA   LYS  21           HA       LYS  21  -8.316  14.123   3.515
  173   1HB   LYS  21          2HB       LYS  21  -8.926  12.998   5.782
  174   2HB   LYS  21          1HB       LYS  21  -7.597  13.954   6.425
  175   1HG   LYS  21          2HG       LYS  21  -8.746  15.977   5.436
  176   2HG   LYS  21          1HG       LYS  21 -10.139  14.930   5.163
  177   1HD   LYS  21          2HD       LYS  21  -8.866  15.109   7.869
  178   2HD   LYS  21          1HD       LYS  21 -10.026  16.329   7.338
  179   1HE   LYS  21          2HE       LYS  21 -11.676  14.974   7.947
  180   2HE   LYS  21          1HE       LYS  21 -11.154  13.824   6.718
  181   1HZ   LYS  21          1HZ       LYS  21  -9.702  13.822   9.250
  182   2HZ   LYS  21          2HZ       LYS  21 -10.109  12.531   8.237
  183   3HZ   LYS  21          3HZ       LYS  21 -11.274  13.198   9.265
  184    H    GLY  22           H        GLY  22  -7.266  15.880   2.859
  185   1HA   GLY  22          2HA       GLY  22  -5.783  17.680   3.033
  186   2HA   GLY  22          1HA       GLY  22  -4.944  16.837   4.325
  187    H    TYR  23           H        TYR  23  -5.266  14.587   1.972
  188    HA   TYR  23           HA       TYR  23  -2.923  15.451   0.436
  189   1HB   TYR  23          2HB       TYR  23  -2.981  12.624   1.413
  190   2HB   TYR  23          1HB       TYR  23  -1.605  13.625   0.964
  191    HD1  TYR  23           1HD      TYR  23  -3.157  12.090   3.640
  192    HD2  TYR  23           2HD      TYR  23  -1.375  15.799   2.579
  193    HE1  TYR  23           1HE      TYR  23  -2.738  12.552   6.013
  194    HE2  TYR  23           2HE      TYR  23  -0.948  16.280   4.951
  195    HH   TYR  23           HH       TYR  23  -1.166  13.948   7.366
  196    HA   PRO  24           HA       PRO  24  -5.196  13.551  -2.829
  197   1HB   PRO  24          2HB       PRO  24  -3.328  13.422  -4.742
  198   2HB   PRO  24          1HB       PRO  24  -3.934  14.970  -4.144
  199   1HG   PRO  24          2HG       PRO  24  -1.373  13.574  -3.534
  200   2HG   PRO  24          1HG       PRO  24  -1.691  15.305  -3.729
  201   1HD   PRO  24          2HD       PRO  24  -1.466  13.960  -1.298
  202   2HD   PRO  24          1HD       PRO  24  -2.201  15.557  -1.529
  203    H    HIS  25           H        HIS  25  -5.329  11.690  -4.240
  204    HA   HIS  25           HA       HIS  25  -5.010   9.251  -3.047
  205   1HB   HIS  25          2HB       HIS  25  -4.871   9.760  -6.026
  206   2HB   HIS  25          1HB       HIS  25  -5.356   8.262  -5.241
  207    HD1  HIS  25           1HD      HIS  25  -6.545  11.790  -5.821
  208    HD2  HIS  25           2HD      HIS  25  -7.997   8.140  -4.468
  209    HE1  HIS  25           1HE      HIS  25  -9.033  12.089  -5.625
  210    HE2  HIS  25           2HE      HIS  25  -9.879   9.896  -4.719
  211    H    TRP  26           H        TRP  26  -3.229   8.183  -2.401
  212    HA   TRP  26           HA       TRP  26  -0.684   8.688  -3.768
  213   1HB   TRP  26          2HB       TRP  26  -1.165   8.830  -1.166
  214   2HB   TRP  26          1HB       TRP  26  -0.858   7.100  -1.248
  215    HD1  TRP  26           HD       TRP  26   1.648   6.416  -2.296
  216    HE1  TRP  26           1HE      TRP  26   3.903   7.614  -1.929
  217    HE3  TRP  26           3HE      TRP  26  -0.076  10.997  -0.813
  218    HZ2  TRP  26           2HZ      TRP  26   4.818  10.162  -1.127
  219    HZ3  TRP  26           3HZ      TRP  26   1.541  12.750  -0.270
  220    HH2  TRP  26           HH       TRP  26   3.927  12.341  -0.423
  221    HA   PRO  27           HA       PRO  27  -0.932   4.737  -5.876
  222   1HB   PRO  27          2HB       PRO  27   1.842   4.419  -6.062
  223   2HB   PRO  27          1HB       PRO  27   0.813   5.219  -7.252
  224   1HG   PRO  27          2HG       PRO  27   2.498   6.406  -5.099
  225   2HG   PRO  27          1HG       PRO  27   2.165   7.011  -6.732
  226   1HD   PRO  27          2HD       PRO  27   0.979   8.077  -4.580
  227   2HD   PRO  27          1HD       PRO  27   0.109   7.897  -6.119
  228    H    ALA  28           H        ALA  28  -1.411   2.965  -4.740
  229    HA   ALA  28           HA       ALA  28   0.560   1.948  -2.834
  230   1HB   ALA  28          1HB       ALA  28  -0.610   2.559  -1.059
  231   2HB   ALA  28          2HB       ALA  28  -1.965   1.582  -1.622
  232   3HB   ALA  28          3HB       ALA  28  -1.840   3.277  -2.101
  233    H    ARG  29           H        ARG  29  -0.344  -0.183  -1.838
  234    HA   ARG  29           HA       ARG  29  -1.828  -1.766  -3.798
  235   1HB   ARG  29          2HB       ARG  29   0.544  -2.019  -4.401
  236   2HB   ARG  29          1HB       ARG  29   0.907  -2.533  -2.760
  237   1HG   ARG  29          2HG       ARG  29  -0.693  -4.447  -3.132
  238   2HG   ARG  29          1HG       ARG  29  -0.712  -3.984  -4.835
  239   1HD   ARG  29          2HD       ARG  29   1.134  -5.176  -5.142
  240   2HD   ARG  29          1HD       ARG  29   1.993  -4.087  -4.053
  241    HE   ARG  29           HE       ARG  29   0.572  -5.986  -2.542
  242   1HH1  ARG  29          1HH1      ARG  29   3.335  -5.754  -4.659
  243   2HH1  ARG  29          2HH1      ARG  29   4.164  -7.087  -3.928
  244   1HH2  ARG  29          1HH2      ARG  29   1.659  -7.740  -1.581
  245   2HH2  ARG  29          2HH2      ARG  29   3.214  -8.215  -2.181
  246    H    ILE  30           H        ILE  30  -2.601  -3.815  -2.929
  247    HA   ILE  30           HA       ILE  30  -3.254  -3.603  -0.112
  248    HB   ILE  30           HB       ILE  30  -4.001  -5.814  -2.030
  249   1HG1  ILE  30          2HG1      ILE  30  -4.727  -3.572  -2.838
  250   2HG1  ILE  30          1HG1      ILE  30  -6.074  -4.633  -2.439
  251   1HG2  ILE  30          1HG2      ILE  30  -5.880  -5.186   0.080
  252   2HG2  ILE  30          2HG2      ILE  30  -4.296  -5.621   0.723
  253   3HG2  ILE  30          3HG2      ILE  30  -5.145  -6.729  -0.356
  254   1HD1  ILE  30          1HD1      ILE  30  -5.003  -2.547  -0.561
  255   2HD1  ILE  30          2HD1      ILE  30  -6.507  -3.460  -0.426
  256   3HD1  ILE  30          3HD1      ILE  30  -6.316  -2.257  -1.703
  257    H    ASP  31           H        ASP  31  -2.542  -4.960   1.513
  258    HA   ASP  31           HA       ASP  31  -0.487  -6.916   0.748
  259   1HB   ASP  31          2HB       ASP  31  -0.499  -4.958   3.035
  260   2HB   ASP  31          1HB       ASP  31   0.566  -6.361   3.004
  261    H    GLU  32           H        GLU  32  -3.356  -6.344   2.560
  262    HA   GLU  32           HA       GLU  32  -3.557  -9.118   3.226
  263   1HB   GLU  32          2HB       GLU  32  -2.087  -7.972   5.049
  264   2HB   GLU  32          1HB       GLU  32  -3.613  -7.305   5.614
  265   1HG   GLU  32          2HG       GLU  32  -4.267  -9.241   6.509
  266   2HG   GLU  32          1HG       GLU  32  -3.698 -10.183   5.130
  267    H    MET  33           H        MET  33  -5.638  -9.719   3.955
  268    HA   MET  33           HA       MET  33  -7.692  -7.764   3.271
  269   1HB   MET  33          2HB       MET  33  -7.946 -10.721   3.858
  270   2HB   MET  33          1HB       MET  33  -9.220  -9.677   3.244
  271   1HG   MET  33          2HG       MET  33  -6.708  -9.801   1.688
  272   2HG   MET  33          1HG       MET  33  -7.747 -11.225   1.670
  273   1HE   MET  33          1HE       MET  33  -8.250  -7.179  -0.178
  274   2HE   MET  33          2HE       MET  33  -7.332  -7.600   1.267
  275   3HE   MET  33          3HE       MET  33  -9.031  -7.146   1.402
  276    HA   PRO  34           HA       PRO  34  -9.168  -7.033   7.357
  277   1HB   PRO  34          2HB       PRO  34 -11.913  -7.837   6.670
  278   2HB   PRO  34          1HB       PRO  34 -11.291  -6.247   7.122
  279   1HG   PRO  34          2HG       PRO  34 -12.072  -6.798   4.610
  280   2HG   PRO  34          1HG       PRO  34 -10.718  -5.707   4.952
  281   1HD   PRO  34          2HD       PRO  34 -10.670  -8.573   4.080
  282   2HD   PRO  34          1HD       PRO  34  -9.652  -7.216   3.549
  283    H    GLU  35           H        GLU  35  -9.532  -8.049   9.293
  284    HA   GLU  35           HA       GLU  35  -9.199 -10.824   9.442
  285   1HB   GLU  35          2HB       GLU  35  -9.335  -8.643  11.262
  286   2HB   GLU  35          1HB       GLU  35 -10.410  -9.903  11.848
  287   1HG   GLU  35          2HG       GLU  35  -8.704 -11.091  12.588
  288   2HG   GLU  35          1HG       GLU  35  -7.945 -11.072  10.997
  289    H    ALA  36           H        ALA  36 -11.971  -9.249  10.930
  290    HA   ALA  36           HA       ALA  36 -13.937 -10.586   9.390
  291   1HB   ALA  36          1HB       ALA  36 -13.780 -12.606  10.357
  292   2HB   ALA  36          2HB       ALA  36 -14.626 -11.848  11.704
  293   3HB   ALA  36          3HB       ALA  36 -12.868 -11.985  11.732
  294    H    ALA  37           H        ALA  37 -13.501  -9.734  12.810
  295    HA   ALA  37           HA       ALA  37 -15.052  -7.353  12.607
  296   1HB   ALA  37          1HB       ALA  37 -16.340  -9.554  14.199
  297   2HB   ALA  37          2HB       ALA  37 -16.789  -9.196  12.532
  298   3HB   ALA  37          3HB       ALA  37 -17.004  -7.974  13.785
  299    H    VAL  38           H        VAL  38 -12.498  -8.441  13.687
  300    HA   VAL  38           HA       VAL  38 -12.783  -8.076  16.561
  301    HB   VAL  38           HB       VAL  38 -10.371  -8.638  16.634
  302   1HG1  VAL  38          1HG1      VAL  38 -12.487 -10.378  15.565
  303   2HG1  VAL  38          2HG1      VAL  38 -11.433 -10.597  16.963
  304   3HG1  VAL  38          3HG1      VAL  38 -10.843 -10.980  15.346
  305   1HG2  VAL  38          1HG2      VAL  38 -10.194  -7.754  14.123
  306   2HG2  VAL  38          2HG2      VAL  38 -10.403  -9.473  13.788
  307   3HG2  VAL  38          3HG2      VAL  38  -9.061  -8.927  14.794
  308    H    LYS  39           H        LYS  39 -11.065  -6.706  17.640
  309    HA   LYS  39           HA       LYS  39 -10.503  -4.540  18.132
  310   1HB   LYS  39          2HB       LYS  39  -8.739  -3.667  16.641
  311   2HB   LYS  39          1HB       LYS  39  -8.502  -5.360  17.042
  312   1HG   LYS  39          2HG       LYS  39  -9.478  -5.978  14.855
  313   2HG   LYS  39          1HG       LYS  39  -9.585  -4.261  14.458
  314   1HD   LYS  39          2HD       LYS  39  -7.320  -4.038  14.215
  315   2HD   LYS  39          1HD       LYS  39  -6.962  -5.334  15.357
  316   1HE   LYS  39          2HE       LYS  39  -8.294  -6.619  13.304
  317   2HE   LYS  39          1HE       LYS  39  -7.295  -5.430  12.471
  318   1HZ   LYS  39          1HZ       LYS  39  -5.397  -6.294  13.836
  319   2HZ   LYS  39          2HZ       LYS  39  -6.008  -7.377  12.689
  320   3HZ   LYS  39          3HZ       LYS  39  -6.404  -7.564  14.323
  321    H    SER  40           H        SER  40  -9.971  -2.312  16.532
  322    HA   SER  40           HA       SER  40 -12.689  -1.531  15.853
  323   1HB   SER  40          2HB       SER  40 -10.698  -0.213  17.176
  324   2HB   SER  40          1HB       SER  40 -10.536   0.463  15.556
  325    HG   SER  40           HG       SER  40 -12.913   0.776  15.724
  326    H    THR  41           H        THR  41 -12.091  -3.246  13.995
  327    HA   THR  41           HA       THR  41 -11.374  -1.622  11.641
  328    HB   THR  41           HB       THR  41 -10.476  -3.723  10.617
  329    HG1  THR  41           1HG      THR  41 -11.018  -4.689  13.205
  330   1HG2  THR  41          1HG2      THR  41  -9.230  -2.236  12.776
  331   2HG2  THR  41          2HG2      THR  41  -8.580  -2.741  11.216
  332   3HG2  THR  41          3HG2      THR  41  -8.572  -3.860  12.577
  333    H    ALA  42           H        ALA  42 -13.446  -1.187  10.999
  334    HA   ALA  42           HA       ALA  42 -15.535  -3.108  10.939
  335   1HB   ALA  42          1HB       ALA  42 -15.824  -0.614  11.005
  336   2HB   ALA  42          2HB       ALA  42 -16.819  -1.450   9.811
  337   3HB   ALA  42          3HB       ALA  42 -15.365  -0.590   9.301
  338    H    ASN  43           H        ASN  43 -13.882  -1.501   8.223
  339    HA   ASN  43           HA       ASN  43 -13.627  -4.002   6.818
  340   1HB   ASN  43          2HB       ASN  43 -15.743  -2.059   6.167
  341   2HB   ASN  43          1HB       ASN  43 -14.774  -2.571   4.789
  342   1HD2  ASN  43          1HD2      ASN  43 -17.430  -3.260   6.628
  343   2HD2  ASN  43          2HD2      ASN  43 -17.655  -4.915   6.186
  344    H    LYS  44           H        LYS  44 -11.565  -2.742   7.658
  345    HA   LYS  44           HA       LYS  44 -10.600  -0.979   5.522
  346   1HB   LYS  44          2HB       LYS  44  -9.004  -1.459   7.995
  347   2HB   LYS  44          1HB       LYS  44  -9.161   0.003   7.032
  348   1HG   LYS  44          2HG       LYS  44 -11.643  -0.814   8.356
  349   2HG   LYS  44          1HG       LYS  44 -10.323  -0.427   9.463
  350   1HD   LYS  44          2HD       LYS  44 -10.841   1.723   9.188
  351   2HD   LYS  44          1HD       LYS  44 -10.245   1.585   7.534
  352   1HE   LYS  44          2HE       LYS  44 -12.310   1.654   6.661
  353   2HE   LYS  44          1HE       LYS  44 -12.971   0.588   7.899
  354   1HZ   LYS  44          1HZ       LYS  44 -12.300   3.387   8.537
  355   2HZ   LYS  44          2HZ       LYS  44 -13.391   2.354   9.311
  356   3HZ   LYS  44          3HZ       LYS  44 -13.773   3.006   7.798
  357    H    TYR  45           H        TYR  45  -8.093  -1.224   5.278
  358    HA   TYR  45           HA       TYR  45  -7.185  -3.993   5.307
  359   1HB   TYR  45          2HB       TYR  45  -7.089  -2.475   2.697
  360   2HB   TYR  45          1HB       TYR  45  -6.799  -4.189   2.974
  361    HD1  TYR  45           1HD      TYR  45  -9.496  -1.618   3.117
  362    HD2  TYR  45           2HD      TYR  45  -8.503  -5.724   2.626
  363    HE1  TYR  45           1HE      TYR  45 -11.833  -2.108   2.565
  364    HE2  TYR  45           2HE      TYR  45 -10.842  -6.227   2.062
  365    HH   TYR  45           HH       TYR  45 -13.372  -3.986   2.554
  366    H    GLN  46           H        GLN  46  -4.883  -4.167   4.755
  367    HA   GLN  46           HA       GLN  46  -3.452  -1.777   5.631
  368   1HB   GLN  46          2HB       GLN  46  -2.986  -4.675   5.742
  369   2HB   GLN  46          1HB       GLN  46  -1.554  -3.749   5.317
  370   1HG   GLN  46          2HG       GLN  46  -1.797  -2.413   7.330
  371   2HG   GLN  46          1HG       GLN  46  -3.265  -3.295   7.751
  372   1HE2  GLN  46          1HE2      GLN  46  -0.503  -2.979   8.975
  373   2HE2  GLN  46          2HE2      GLN  46  -0.018  -4.599   9.330
  374    H    VAL  47           H        VAL  47  -3.042  -0.422   4.011
  375    HA   VAL  47           HA       VAL  47  -2.174  -1.516   1.434
  376    HB   VAL  47           HB       VAL  47  -2.727   0.589   0.436
  377   1HG1  VAL  47          1HG1      VAL  47  -5.166   0.762   1.729
  378   2HG1  VAL  47          2HG1      VAL  47  -4.651  -0.901   2.010
  379   3HG1  VAL  47          3HG1      VAL  47  -4.773  -0.281   0.363
  380   1HG2  VAL  47          1HG2      VAL  47  -2.548   1.561   3.188
  381   2HG2  VAL  47          2HG2      VAL  47  -3.928   2.200   2.294
  382   3HG2  VAL  47          3HG2      VAL  47  -2.294   2.413   1.664
  383    H    PHE  48           H        PHE  48  -0.338  -0.822   0.409
  384    HA   PHE  48           HA       PHE  48   1.693   0.361   2.178
  385   1HB   PHE  48          2HB       PHE  48   1.949  -1.963   1.003
  386   2HB   PHE  48          1HB       PHE  48   2.333  -1.000  -0.421
  387    HD1  PHE  48           1HD      PHE  48   3.195  -0.662   3.188
  388    HD2  PHE  48           2HD      PHE  48   4.599  -1.047  -0.812
  389    HE1  PHE  48           1HE      PHE  48   5.506  -0.404   3.984
  390    HE2  PHE  48           2HE      PHE  48   6.917  -0.791  -0.026
  391    HZ   PHE  48           HZ       PHE  48   7.374  -0.467   2.374
  392    H    PHE  49           H        PHE  49   2.332   2.360   1.803
  393    HA   PHE  49           HA       PHE  49   1.568   3.716  -0.668
  394   1HB   PHE  49          2HB       PHE  49   2.714   4.808   1.916
  395   2HB   PHE  49          1HB       PHE  49   2.227   5.783   0.533
  396    HD1  PHE  49           1HD      PHE  49  -0.259   5.411  -0.261
  397    HD2  PHE  49           2HD      PHE  49   1.213   4.477   3.620
  398    HE1  PHE  49           1HE      PHE  49  -2.550   5.490   0.625
  399    HE2  PHE  49           2HE      PHE  49  -1.064   4.557   4.512
  400    HZ   PHE  49           HZ       PHE  49  -2.960   5.060   3.016
  401    H    PHE  50           H        PHE  50   3.041   3.367  -2.259
  402    HA   PHE  50           HA       PHE  50   5.725   2.720  -1.916
  403   1HB   PHE  50          2HB       PHE  50   4.262   3.969  -4.239
  404   2HB   PHE  50          1HB       PHE  50   5.967   3.540  -4.322
  405    HD1  PHE  50           1HD      PHE  50   2.711   2.419  -4.921
  406    HD2  PHE  50           2HD      PHE  50   6.516   1.077  -3.567
  407    HE1  PHE  50           1HE      PHE  50   2.094   0.104  -5.485
  408    HE2  PHE  50           2HE      PHE  50   5.908  -1.237  -4.137
  409    HZ   PHE  50           HZ       PHE  50   3.693  -1.724  -5.096
  410    H    GLY  51           H        GLY  51   7.487   4.193  -3.096
  411   1HA   GLY  51          2HA       GLY  51   8.766   6.110  -3.031
  412   2HA   GLY  51          1HA       GLY  51   7.309   7.002  -2.617
  413    H    THR  52           H        THR  52   6.509   6.362  -0.291
  414    HA   THR  52           HA       THR  52   8.736   6.951   1.492
  415    HB   THR  52           HB       THR  52   7.007   7.490   3.133
  416    HG1  THR  52           1HG      THR  52   5.166   6.697   1.127
  417   1HG2  THR  52          1HG2      THR  52   7.033   8.735   0.486
  418   2HG2  THR  52          2HG2      THR  52   7.160   9.459   2.089
  419   3HG2  THR  52          3HG2      THR  52   5.577   9.039   1.433
  420    H    HIS  53           H        HIS  53   6.666   4.340   0.618
  421    HA   HIS  53           HA       HIS  53   6.572   2.162   1.270
  422   1HB   HIS  53          2HB       HIS  53   9.066   2.860   2.838
  423   2HB   HIS  53          1HB       HIS  53   8.458   1.230   2.582
  424    HD1  HIS  53           1HD      HIS  53  11.266   1.995   1.630
  425    HD2  HIS  53           2HD      HIS  53   7.871   2.205  -0.757
  426    HE1  HIS  53           1HE      HIS  53  12.101   1.875  -0.740
  427    HE2  HIS  53           2HE      HIS  53  10.021   1.901  -2.161
  428    H    GLU  54           H        GLU  54   5.134   4.200   2.683
  429    HA   GLU  54           HA       GLU  54   5.159   3.280   5.467
  430   1HB   GLU  54          2HB       GLU  54   3.525   5.487   4.198
  431   2HB   GLU  54          1HB       GLU  54   3.662   5.150   5.918
  432   1HG   GLU  54          2HG       GLU  54   6.074   5.654   5.800
  433   2HG   GLU  54          1HG       GLU  54   5.880   6.072   4.098
  434    H    THR  55           H        THR  55   3.121   2.658   6.522
  435    HA   THR  55           HA       THR  55   1.147   1.615   4.628
  436    HB   THR  55           HB       THR  55   2.781  -0.136   5.514
  437    HG1  THR  55           1HG      THR  55   1.120  -1.644   5.619
  438   1HG2  THR  55          1HG2      THR  55   1.940   0.840   7.983
  439   2HG2  THR  55          2HG2      THR  55   2.941  -0.576   7.660
  440   3HG2  THR  55          3HG2      THR  55   1.190  -0.745   7.800
  441    H    ALA  56           H        ALA  56  -0.945   1.432   5.305
  442    HA   ALA  56           HA       ALA  56  -1.700   2.327   7.960
  443   1HB   ALA  56          1HB       ALA  56  -2.805   4.309   7.367
  444   2HB   ALA  56          2HB       ALA  56  -2.698   3.949   5.642
  445   3HB   ALA  56          3HB       ALA  56  -1.246   4.386   6.542
  446    H    PHE  57           H        PHE  57  -4.182   2.482   8.128
  447    HA   PHE  57           HA       PHE  57  -5.320   0.270   6.571
  448   1HB   PHE  57          2HB       PHE  57  -5.991   1.308   9.326
  449   2HB   PHE  57          1HB       PHE  57  -6.961   0.110   8.478
  450    HD1  PHE  57           1HD      PHE  57  -3.343   0.651   9.252
  451    HD2  PHE  57           2HD      PHE  57  -6.631  -2.049   9.139
  452    HE1  PHE  57           1HE      PHE  57  -1.902  -1.135  10.140
  453    HE2  PHE  57           2HE      PHE  57  -5.197  -3.840  10.026
  454    HZ   PHE  57           HZ       PHE  57  -2.830  -3.384  10.530
  455    H    LEU  58           H        LEU  58  -6.877   0.726   5.155
  456    HA   LEU  58           HA       LEU  58  -8.593   3.052   5.631
  457   1HB   LEU  58          2HB       LEU  58  -7.301   2.458   2.971
  458   2HB   LEU  58          1HB       LEU  58  -8.385   3.787   3.328
  459    HG   LEU  58           HG       LEU  58  -5.703   3.464   4.664
  460   1HD1  LEU  58          1HD1      LEU  58  -5.339   5.522   2.978
  461   2HD1  LEU  58          2HD1      LEU  58  -6.409   4.516   2.002
  462   3HD1  LEU  58          3HD1      LEU  58  -4.885   3.860   2.600
  463   1HD2  LEU  58          1HD2      LEU  58  -7.896   5.442   4.732
  464   2HD2  LEU  58          2HD2      LEU  58  -6.255   6.087   4.694
  465   3HD2  LEU  58          3HD2      LEU  58  -6.738   4.983   5.981
  466    H    GLY  59           H        GLY  59 -10.562   3.036   4.270
  467   1HA   GLY  59          2HA       GLY  59 -11.564   0.307   4.056
  468   2HA   GLY  59          1HA       GLY  59 -12.525   1.777   4.000
  469    HA   PRO  60           HA       PRO  60 -11.797   0.023  -0.322
  470   1HB   PRO  60          2HB       PRO  60 -14.695  -0.311  -0.476
  471   2HB   PRO  60          1HB       PRO  60 -13.418  -1.497  -0.754
  472   1HG   PRO  60          2HG       PRO  60 -15.080  -1.582   1.392
  473   2HG   PRO  60          1HG       PRO  60 -13.422  -2.207   1.422
  474   1HD   PRO  60          2HD       PRO  60 -14.502   0.363   2.500
  475   2HD   PRO  60          1HD       PRO  60 -13.263  -0.713   3.176
  476    H    LYS  61           H        LYS  61 -14.063   2.243   1.151
  477    HA   LYS  61           HA       LYS  61 -14.850   3.582  -1.224
  478   1HB   LYS  61          2HB       LYS  61 -14.805   4.661   1.599
  479   2HB   LYS  61          1HB       LYS  61 -15.755   5.280   0.253
  480   1HG   LYS  61          2HG       LYS  61 -16.545   2.669   0.347
  481   2HG   LYS  61          1HG       LYS  61 -16.277   3.038   2.051
  482   1HD   LYS  61          2HD       LYS  61 -17.622   5.247   1.300
  483   2HD   LYS  61          1HD       LYS  61 -18.312   4.073   0.177
  484   1HE   LYS  61          2HE       LYS  61 -18.123   3.004   2.862
  485   2HE   LYS  61          1HE       LYS  61 -19.060   4.497   2.823
  486   1HZ   LYS  61          1HZ       LYS  61 -19.688   1.892   1.730
  487   2HZ   LYS  61          2HZ       LYS  61 -20.050   3.192   0.709
  488   3HZ   LYS  61          3HZ       LYS  61 -20.721   3.125   2.259
  489    H    ASP  62           H        ASP  62 -12.032   3.679   0.747
  490    HA   ASP  62           HA       ASP  62 -11.169   6.219  -0.436
  491   1HB   ASP  62          2HB       ASP  62 -10.000   4.580   1.822
  492   2HB   ASP  62          1HB       ASP  62  -9.300   6.076   1.212
  493    H    LEU  63           H        LEU  63 -11.105   3.088  -1.294
  494    HA   LEU  63           HA       LEU  63  -8.397   3.233  -2.434
  495   1HB   LEU  63          2HB       LEU  63 -10.150   0.817  -1.969
  496   2HB   LEU  63          1HB       LEU  63  -8.557   0.784  -2.700
  497    HG   LEU  63           HG       LEU  63  -9.006   1.803   0.095
  498   1HD1  LEU  63          1HD1      LEU  63  -8.151  -0.989  -0.615
  499   2HD1  LEU  63          2HD1      LEU  63  -9.819  -0.566  -0.230
  500   3HD1  LEU  63          3HD1      LEU  63  -8.552  -0.339   0.975
  501   1HD2  LEU  63          1HD2      LEU  63  -6.516   0.522  -0.922
  502   2HD2  LEU  63          2HD2      LEU  63  -6.725   1.756   0.321
  503   3HD2  LEU  63          3HD2      LEU  63  -6.873   2.188  -1.383
  504    H    PHE  64           H        PHE  64  -8.123   3.076  -4.624
  505    HA   PHE  64           HA       PHE  64 -10.502   2.596  -6.281
  506   1HB   PHE  64          2HB       PHE  64  -8.566   4.871  -6.761
  507   2HB   PHE  64          1HB       PHE  64 -10.026   4.515  -7.676
  508    HD1  PHE  64           1HD      PHE  64 -11.923   5.717  -7.196
  509    HD2  PHE  64           2HD      PHE  64  -8.966   5.236  -4.173
  510    HE1  PHE  64           1HE      PHE  64 -13.218   7.183  -5.700
  511    HE2  PHE  64           2HE      PHE  64 -10.254   6.700  -2.674
  512    HZ   PHE  64           HZ       PHE  64 -12.380   7.676  -3.434
  513    HA   PRO  65           HA       PRO  65  -7.867   0.164  -8.843
  514   1HB   PRO  65          2HB       PRO  65  -9.012   1.345 -11.275
  515   2HB   PRO  65          1HB       PRO  65  -9.133  -0.309 -10.671
  516   1HG   PRO  65          2HG       PRO  65 -11.238   1.362 -10.650
  517   2HG   PRO  65          1HG       PRO  65 -10.981   0.158  -9.372
  518   1HD   PRO  65          2HD       PRO  65 -10.405   3.102  -9.348
  519   2HD   PRO  65          1HD       PRO  65 -11.123   2.085  -8.080
  520    H    TYR  66           H        TYR  66  -5.777   0.692  -8.888
  521    HA   TYR  66           HA       TYR  66  -4.608   3.117  -9.406
  522   1HB   TYR  66          2HB       TYR  66  -3.370   1.304  -8.407
  523   2HB   TYR  66          1HB       TYR  66  -3.501   0.346  -9.879
  524    HD1  TYR  66           1HD      TYR  66  -1.892   0.535 -11.577
  525    HD2  TYR  66           2HD      TYR  66  -2.025   3.454  -8.486
  526    HE1  TYR  66           1HE      TYR  66   0.228   1.477 -12.387
  527    HE2  TYR  66           2HE      TYR  66   0.098   4.405  -9.283
  528    HH   TYR  66           HH       TYR  66   2.057   2.821 -11.626
  529    H    GLU  67           H        GLU  67  -4.689   0.428 -11.760
  530    HA   GLU  67           HA       GLU  67  -3.631   1.794 -13.920
  531   1HB   GLU  67          2HB       GLU  67  -4.910  -0.702 -13.489
  532   2HB   GLU  67          1HB       GLU  67  -5.673   0.033 -14.893
  533   1HG   GLU  67          2HG       GLU  67  -2.725   0.116 -14.805
  534   2HG   GLU  67          1HG       GLU  67  -3.466  -1.468 -15.026
  535    H    GLU  68           H        GLU  68  -6.969   1.693 -12.823
  536    HA   GLU  68           HA       GLU  68  -8.050   3.117 -15.027
  537   1HB   GLU  68          2HB       GLU  68  -9.168   1.604 -13.136
  538   2HB   GLU  68          1HB       GLU  68  -9.460   3.183 -12.417
  539   1HG   GLU  68          2HG       GLU  68 -10.134   3.038 -15.253
  540   2HG   GLU  68          1HG       GLU  68 -11.063   1.934 -14.241
  541    H    SER  69           H        SER  69  -6.889   4.120 -11.832
  542    HA   SER  69           HA       SER  69  -7.526   6.905 -12.559
  543   1HB   SER  69          2HB       SER  69  -7.052   5.577  -9.896
  544   2HB   SER  69          1HB       SER  69  -7.051   7.332 -10.085
  545    HG   SER  69           HG       SER  69  -9.151   7.312 -10.320
  546    H    LYS  70           H        LYS  70  -5.067   5.017 -13.109
  547    HA   LYS  70           HA       LYS  70  -2.798   6.039 -11.904
  548   1HB   LYS  70          2HB       LYS  70  -3.257   4.110 -13.674
  549   2HB   LYS  70          1HB       LYS  70  -2.690   5.342 -14.790
  550   1HG   LYS  70          2HG       LYS  70  -0.731   5.527 -13.035
  551   2HG   LYS  70          1HG       LYS  70  -1.232   3.874 -12.673
  552   1HD   LYS  70          2HD       LYS  70  -1.087   3.425 -15.160
  553   2HD   LYS  70          1HD       LYS  70  -0.289   4.991 -15.306
  554   1HE   LYS  70          2HE       LYS  70   1.266   4.034 -13.437
  555   2HE   LYS  70          1HE       LYS  70   0.667   2.479 -14.011
  556   1HZ   LYS  70          1HZ       LYS  70   1.318   3.687 -16.309
  557   2HZ   LYS  70          2HZ       LYS  70   2.357   2.665 -15.452
  558   3HZ   LYS  70          3HZ       LYS  70   2.487   4.340 -15.274
  559    H    GLU  71           H        GLU  71  -4.369   7.122 -14.906
  560    HA   GLU  71           HA       GLU  71  -2.509   9.191 -15.441
  561   1HB   GLU  71          2HB       GLU  71  -5.352   8.856 -16.403
  562   2HB   GLU  71          1HB       GLU  71  -4.179   9.977 -17.077
  563   1HG   GLU  71          2HG       GLU  71  -3.456   8.402 -18.444
  564   2HG   GLU  71          1HG       GLU  71  -2.996   7.406 -17.064
  565    H    LYS  72           H        LYS  72  -5.426   9.062 -13.511
  566    HA   LYS  72           HA       LYS  72  -5.644  11.934 -13.302
  567   1HB   LYS  72          2HB       LYS  72  -7.090   9.711 -11.858
  568   2HB   LYS  72          1HB       LYS  72  -7.470  11.420 -11.698
  569   1HG   LYS  72          2HG       LYS  72  -8.472  11.530 -13.721
  570   2HG   LYS  72          1HG       LYS  72  -7.416  10.310 -14.435
  571   1HD   LYS  72          2HD       LYS  72  -9.051   8.824 -14.194
  572   2HD   LYS  72          1HD       LYS  72  -8.896   8.992 -12.444
  573   1HE   LYS  72          2HE       LYS  72 -11.206   9.356 -13.305
  574   2HE   LYS  72          1HE       LYS  72 -10.550  10.716 -12.395
  575   1HZ   LYS  72          1HZ       LYS  72  -9.983  10.927 -15.185
  576   2HZ   LYS  72          2HZ       LYS  72 -10.739  12.035 -14.156
  577   3HZ   LYS  72          3HZ       LYS  72 -11.646  10.816 -14.897
  578    H    PHE  73           H        PHE  73  -4.738   9.275 -11.130
  579    HA   PHE  73           HA       PHE  73  -3.918  11.229  -9.112
  580   1HB   PHE  73          2HB       PHE  73  -3.996   8.221  -8.875
  581   2HB   PHE  73          1HB       PHE  73  -3.857   9.388  -7.568
  582    HD1  PHE  73           1HD      PHE  73  -5.868   7.312  -7.443
  583    HD2  PHE  73           2HD      PHE  73  -6.050  11.128  -9.318
  584    HE1  PHE  73           1HE      PHE  73  -8.315   7.312  -7.200
  585    HE2  PHE  73           2HE      PHE  73  -8.496  11.133  -9.081
  586    HZ   PHE  73           HZ       PHE  73  -9.632   9.224  -8.018
  587    H    GLY  74           H        GLY  74  -2.469   9.395 -11.585
  588   1HA   GLY  74          2HA       GLY  74   0.047   9.021 -10.201
  589   2HA   GLY  74          1HA       GLY  74  -0.293   8.624 -11.877
  590    H    LYS  75           H        LYS  75   0.208  11.418  -9.713
  591    HA   LYS  75           HA       LYS  75   1.937  12.611 -11.711
  592   1HB   LYS  75          2HB       LYS  75  -0.603  13.920 -10.741
  593   2HB   LYS  75          1HB       LYS  75   0.714  14.819 -11.479
  594   1HG   LYS  75          2HG       LYS  75   0.353  12.926 -13.348
  595   2HG   LYS  75          1HG       LYS  75  -1.285  13.038 -12.702
  596   1HD   LYS  75          2HD       LYS  75  -0.433  15.682 -12.977
  597   2HD   LYS  75          1HD       LYS  75   0.147  14.863 -14.428
  598   1HE   LYS  75          2HE       LYS  75  -1.899  14.908 -15.288
  599   2HE   LYS  75          1HE       LYS  75  -2.511  13.989 -13.914
  600   1HZ   LYS  75          1HZ       LYS  75  -2.081  16.768 -13.321
  601   2HZ   LYS  75          2HZ       LYS  75  -3.441  15.800 -13.040
  602   3HZ   LYS  75          3HZ       LYS  75  -3.216  16.525 -14.551
  603    HA   PRO  76           HA       PRO  76   4.398  13.696  -8.212
  604   1HB   PRO  76          2HB       PRO  76   4.648  16.345  -9.572
  605   2HB   PRO  76          1HB       PRO  76   5.909  15.294  -8.915
  606   1HG   PRO  76          2HG       PRO  76   5.474  15.416 -11.540
  607   2HG   PRO  76          1HG       PRO  76   5.873  13.879 -10.752
  608   1HD   PRO  76          2HD       PRO  76   3.260  14.853 -11.793
  609   2HD   PRO  76          1HD       PRO  76   3.901  13.201 -11.714
  610    H    ASN  77           H        ASN  77   4.434  15.074  -6.370
  611    HA   ASN  77           HA       ASN  77   2.184  16.947  -6.128
  612   1HB   ASN  77          2HB       ASN  77   2.270  14.362  -4.942
  613   2HB   ASN  77          1HB       ASN  77   2.407  15.552  -3.651
  614   1HD2  ASN  77          1HD2      ASN  77   0.367  14.085  -5.960
  615   2HD2  ASN  77          2HD2      ASN  77  -1.079  14.945  -5.570
  616    H    LYS  78           H        LYS  78   2.262  18.094  -3.937
  617    HA   LYS  78           HA       LYS  78   4.922  19.214  -3.670
  618   1HB   LYS  78          2HB       LYS  78   2.241  20.001  -2.532
  619   2HB   LYS  78          1HB       LYS  78   3.736  20.842  -2.142
  620   1HG   LYS  78          2HG       LYS  78   3.003  20.479  -5.004
  621   2HG   LYS  78          1HG       LYS  78   2.153  21.695  -4.048
  622   1HD   LYS  78          2HD       LYS  78   3.979  23.027  -3.872
  623   2HD   LYS  78          1HD       LYS  78   5.098  21.664  -3.809
  624   1HE   LYS  78          2HE       LYS  78   4.994  21.371  -6.173
  625   2HE   LYS  78          1HE       LYS  78   3.661  22.517  -6.314
  626   1HZ   LYS  78          1HZ       LYS  78   6.163  23.477  -5.142
  627   2HZ   LYS  78          2HZ       LYS  78   5.041  24.292  -6.111
  628   3HZ   LYS  78          3HZ       LYS  78   6.134  23.208  -6.813
  629    H    ARG  79           H        ARG  79   2.995  16.898  -2.047
  630    HA   ARG  79           HA       ARG  79   3.952  17.268   0.592
  631   1HB   ARG  79          2HB       ARG  79   3.041  14.675  -0.659
  632   2HB   ARG  79          1HB       ARG  79   3.070  15.072   1.053
  633   1HG   ARG  79          2HG       ARG  79   1.502  16.964  -0.489
  634   2HG   ARG  79          1HG       ARG  79   0.916  15.308  -0.649
  635   1HD   ARG  79          2HD       ARG  79   0.120  15.285   1.435
  636   2HD   ARG  79          1HD       ARG  79   1.597  15.982   2.094
  637    HE   ARG  79           HE       ARG  79  -0.777  17.426   1.207
  638   1HH1  ARG  79          1HH1      ARG  79   2.497  17.560   2.427
  639   2HH1  ARG  79          2HH1      ARG  79   2.364  19.205   2.947
  640   1HH2  ARG  79          1HH2      ARG  79  -0.942  19.590   1.888
  641   2HH2  ARG  79          2HH2      ARG  79   0.417  20.357   2.641
  642    H    LYS  80           H        LYS  80   5.437  16.194  -2.225
  643    HA   LYS  80           HA       LYS  80   7.494  15.393  -2.693
  644   1HB   LYS  80          2HB       LYS  80   7.995  15.860   0.251
  645   2HB   LYS  80          1HB       LYS  80   9.234  15.469  -0.934
  646   1HG   LYS  80          2HG       LYS  80   7.669  17.989  -0.595
  647   2HG   LYS  80          1HG       LYS  80   9.411  17.763  -0.751
  648   1HD   LYS  80          2HD       LYS  80   9.132  17.176  -3.109
  649   2HD   LYS  80          1HD       LYS  80   7.382  17.365  -2.959
  650   1HE   LYS  80          2HE       LYS  80   8.543  19.740  -1.976
  651   2HE   LYS  80          1HE       LYS  80   9.383  19.351  -3.478
  652   1HZ   LYS  80          1HZ       LYS  80   6.626  20.149  -3.050
  653   2HZ   LYS  80          2HZ       LYS  80   6.856  18.923  -4.193
  654   3HZ   LYS  80          3HZ       LYS  80   7.638  20.412  -4.382
  655    H    GLY  81           H        GLY  81   8.424  13.420  -2.895
  656   1HA   GLY  81          2HA       GLY  81   8.888  11.182  -2.309
  657   2HA   GLY  81          1HA       GLY  81   7.767  11.328  -0.962
  658    H    PHE  82           H        PHE  82   5.863  12.625  -3.058
  659    HA   PHE  82           HA       PHE  82   4.254  10.378  -3.506
  660   1HB   PHE  82          2HB       PHE  82   3.498  12.768  -3.513
  661   2HB   PHE  82          1HB       PHE  82   4.248  12.953  -5.095
  662    HD1  PHE  82           1HD      PHE  82   3.381  11.649  -7.021
  663    HD2  PHE  82           2HD      PHE  82   1.388  11.749  -3.265
  664    HE1  PHE  82           1HE      PHE  82   1.331  10.817  -8.093
  665    HE2  PHE  82           2HE      PHE  82  -0.667  10.915  -4.327
  666    HZ   PHE  82           HZ       PHE  82  -0.698  10.446  -6.744
  667    H    SER  83           H        SER  83   6.270  12.210  -5.804
  668    HA   SER  83           HA       SER  83   5.857  10.653  -8.055
  669   1HB   SER  83          2HB       SER  83   8.441  11.407  -8.408
  670   2HB   SER  83          1HB       SER  83   7.060  12.466  -8.688
  671    HG   SER  83           HG       SER  83   8.668  13.410  -7.327
  672    H    GLU  84           H        GLU  84   8.347  10.278  -5.542
  673    HA   GLU  84           HA       GLU  84   9.797   8.185  -6.577
  674   1HB   GLU  84          2HB       GLU  84   9.992   9.481  -4.304
  675   2HB   GLU  84          1HB       GLU  84   9.042   8.140  -3.680
  676   1HG   GLU  84          2HG       GLU  84  10.970   7.091  -3.371
  677   2HG   GLU  84          1HG       GLU  84  11.025   6.889  -5.121
  678    H    GLY  85           H        GLY  85   6.593   8.155  -5.183
  679   1HA   GLY  85          2HA       GLY  85   6.401   5.322  -4.906
  680   2HA   GLY  85          1HA       GLY  85   5.063   6.463  -4.883
  681    H    LEU  86           H        LEU  86   5.739   7.610  -7.482
  682    HA   LEU  86           HA       LEU  86   4.178   5.954  -9.125
  683   1HB   LEU  86          2HB       LEU  86   5.974   8.296  -9.660
  684   2HB   LEU  86          1HB       LEU  86   5.240   7.423 -10.989
  685    HG   LEU  86           HG       LEU  86   4.004   9.475 -10.293
  686   1HD1  LEU  86          1HD1      LEU  86   2.324   8.431 -11.287
  687   2HD1  LEU  86          2HD1      LEU  86   1.881   7.706  -9.742
  688   3HD1  LEU  86          3HD1      LEU  86   2.985   6.862 -10.827
  689   1HD2  LEU  86          1HD2      LEU  86   3.574   7.872  -7.782
  690   2HD2  LEU  86          2HD2      LEU  86   2.590   9.259  -8.240
  691   3HD2  LEU  86          3HD2      LEU  86   4.313   9.466  -7.930
  692    H    TRP  87           H        TRP  87   7.684   6.402  -8.913
  693    HA   TRP  87           HA       TRP  87   8.370   4.699 -11.064
  694   1HB   TRP  87          2HB       TRP  87   9.951   6.326 -10.166
  695   2HB   TRP  87          1HB       TRP  87   9.964   5.497  -8.612
  696    HD1  TRP  87           HD       TRP  87  11.477   5.368 -12.077
  697    HE1  TRP  87           1HE      TRP  87  13.266   3.522 -12.158
  698    HE3  TRP  87           3HE      TRP  87  10.559   3.152  -7.560
  699    HZ2  TRP  87           2HZ      TRP  87  14.165   1.398 -10.524
  700    HZ3  TRP  87           3HZ      TRP  87  11.930   1.219  -6.897
  701    HH2  TRP  87           HH       TRP  87  13.692   0.361  -8.349
  702    H    GLU  88           H        GLU  88   8.079   4.109  -7.562
  703    HA   GLU  88           HA       GLU  88   9.000   1.455  -7.598
  704   1HB   GLU  88          2HB       GLU  88   7.362   3.089  -5.700
  705   2HB   GLU  88          1HB       GLU  88   7.504   1.356  -5.438
  706   1HG   GLU  88          2HG       GLU  88   9.859   3.203  -5.724
  707   2HG   GLU  88          1HG       GLU  88   9.139   2.752  -4.179
  708    H    ILE  89           H        ILE  89   5.628   2.664  -7.550
  709    HA   ILE  89           HA       ILE  89   4.344   0.225  -7.587
  710    HB   ILE  89           HB       ILE  89   3.250   2.440  -7.315
  711   1HG1  ILE  89          2HG1      ILE  89   1.515   1.444  -9.373
  712   2HG1  ILE  89          1HG1      ILE  89   2.255   0.088  -8.524
  713   1HG2  ILE  89          1HG2      ILE  89   3.578   2.573 -10.303
  714   2HG2  ILE  89          2HG2      ILE  89   4.222   3.687  -9.097
  715   3HG2  ILE  89          3HG2      ILE  89   2.484   3.599  -9.375
  716   1HD1  ILE  89          1HD1      ILE  89   1.534   1.803  -6.499
  717   2HD1  ILE  89          2HD1      ILE  89   0.666   0.352  -7.005
  718   3HD1  ILE  89          3HD1      ILE  89   0.203   1.927  -7.651
  719    H    GLU  90           H        GLU  90   6.035   1.819 -10.161
  720    HA   GLU  90           HA       GLU  90   4.954  -0.039 -12.144
  721   1HB   GLU  90          2HB       GLU  90   5.665   2.653 -12.254
  722   2HB   GLU  90          1HB       GLU  90   6.930   1.827 -13.152
  723   1HG   GLU  90          2HG       GLU  90   4.595   0.656 -14.059
  724   2HG   GLU  90          1HG       GLU  90   4.181   2.360 -13.876
  725    H    ASN  91           H        ASN  91   8.097   0.979 -10.815
  726    HA   ASN  91           HA       ASN  91   9.520  -0.980 -12.369
  727   1HB   ASN  91          2HB       ASN  91  10.303   1.052 -10.311
  728   2HB   ASN  91          1HB       ASN  91  11.441  -0.203 -10.790
  729   1HD2  ASN  91          1HD2      ASN  91   9.259   2.206 -12.206
  730   2HD2  ASN  91          2HD2      ASN  91  10.310   2.642 -13.506
  731    H    ASN  92           H        ASN  92   8.311  -0.753  -9.079
  732    HA   ASN  92           HA       ASN  92   8.750  -3.584  -8.735
  733   1HB   ASN  92          2HB       ASN  92  10.768  -1.898  -7.873
  734   2HB   ASN  92          1HB       ASN  92   9.831  -2.188  -6.410
  735   1HD2  ASN  92          1HD2      ASN  92  11.417  -3.411  -5.448
  736   2HD2  ASN  92          2HD2      ASN  92  11.827  -5.001  -5.983
  737    HA   PRO  93           HA       PRO  93   4.969  -2.144  -6.600
  738   1HB   PRO  93          2HB       PRO  93   3.416  -4.225  -7.297
  739   2HB   PRO  93          1HB       PRO  93   3.736  -2.883  -8.402
  740   1HG   PRO  93          2HG       PRO  93   4.983  -5.602  -8.309
  741   2HG   PRO  93          1HG       PRO  93   4.460  -4.657  -9.715
  742   1HD   PRO  93          2HD       PRO  93   7.061  -4.822  -8.874
  743   2HD   PRO  93          1HD       PRO  93   6.400  -3.443  -9.774
  744    H    THR  94           H        THR  94   7.008  -4.865  -6.268
  745    HA   THR  94           HA       THR  94   5.608  -5.728  -3.833
  746    HB   THR  94           HB       THR  94   6.691  -7.830  -4.033
  747    HG1  THR  94           1HG      THR  94   8.388  -8.195  -5.407
  748   1HG2  THR  94          1HG2      THR  94   5.724  -6.797  -6.662
  749   2HG2  THR  94          2HG2      THR  94   4.965  -7.947  -5.562
  750   3HG2  THR  94          3HG2      THR  94   6.368  -8.431  -6.514
  751    H    VAL  95           H        VAL  95   7.732  -3.472  -4.420
  752    HA   VAL  95           HA       VAL  95  10.065  -4.096  -3.019
  753    HB   VAL  95           HB       VAL  95   9.859  -2.100  -4.426
  754   1HG1  VAL  95          1HG1      VAL  95   8.751  -0.129  -2.905
  755   2HG1  VAL  95          2HG1      VAL  95   7.691  -1.493  -2.553
  756   3HG1  VAL  95          3HG1      VAL  95   7.934  -0.971  -4.220
  757   1HG2  VAL  95          1HG2      VAL  95  11.409  -2.348  -2.304
  758   2HG2  VAL  95          2HG2      VAL  95  10.447  -0.986  -1.730
  759   3HG2  VAL  95          3HG2      VAL  95  11.359  -0.850  -3.234
  760    H    LYS  96           H        LYS  96  10.741  -3.683  -0.910
  761    HA   LYS  96           HA       LYS  96  10.588  -3.621   1.358
  762   1HB   LYS  96          2HB       LYS  96   8.647  -1.663   0.418
  763   2HB   LYS  96          1HB       LYS  96   8.199  -2.345   1.975
  764   1HG   LYS  96          2HG       LYS  96  11.012  -1.604   1.812
  765   2HG   LYS  96          1HG       LYS  96   9.911  -0.247   1.570
  766   1HD   LYS  96          2HD       LYS  96   9.039  -0.399   3.687
  767   2HD   LYS  96          1HD       LYS  96   9.381  -2.124   3.819
  768   1HE   LYS  96          2HE       LYS  96  11.764  -0.441   3.562
  769   2HE   LYS  96          1HE       LYS  96  10.819  -0.136   5.019
  770   1HZ   LYS  96          1HZ       LYS  96  11.338  -2.133   5.878
  771   2HZ   LYS  96          2HZ       LYS  96  12.663  -2.043   4.831
  772   3HZ   LYS  96          3HZ       LYS  96  11.294  -2.929   4.387
  773    H    ALA  97           H        ALA  97   9.391  -4.485   3.202
  774    HA   ALA  97           HA       ALA  97   7.074  -6.136   2.572
  775   1HB   ALA  97          1HB       ALA  97   9.069  -7.651   4.074
  776   2HB   ALA  97          2HB       ALA  97   9.563  -7.271   2.424
  777   3HB   ALA  97          3HB       ALA  97   8.056  -8.141   2.715
  778    H    SER  98           H        SER  98   6.720  -7.547   4.791
  779    HA   SER  98           HA       SER  98   5.990  -5.582   6.716
  780   1HB   SER  98          2HB       SER  98   5.560  -7.817   8.091
  781   2HB   SER  98          1HB       SER  98   4.499  -7.336   6.766
  782    HG   SER  98           HG       SER  98   5.022  -9.415   6.344
  783    H    GLY  99           H        GLY  99   8.569  -7.978   6.500
  784   1HA   GLY  99          2HA       GLY  99  10.706  -7.260   7.528
  785   2HA   GLY  99          1HA       GLY  99   9.759  -6.783   8.929
  786    H    TYR 100           H        TYR 100  12.005  -8.638   8.774
  787    HA   TYR 100           HA       TYR 100  10.646 -11.091   9.683
  788   1HB   TYR 100          2HB       TYR 100  12.222 -11.101   7.575
  789   2HB   TYR 100          1HB       TYR 100  13.501 -11.119   8.785
  790    HD1  TYR 100           1HD      TYR 100  10.875 -13.028   7.164
  791    HD2  TYR 100           2HD      TYR 100  13.711 -13.028  10.332
  792    HE1  TYR 100           1HE      TYR 100  10.618 -15.460   7.385
  793    HE2  TYR 100           2HE      TYR 100  13.464 -15.462  10.562
  794    HH   TYR 100           HH       TYR 100  11.837 -17.206  10.043
  795    H    GLN 101           H        GLN 101  11.602 -12.218  11.462
  796    HA   GLN 101           HA       GLN 101  12.910 -10.394  13.337
  797   1HB   GLN 101          2HB       GLN 101  11.374 -12.960  13.667
  798   2HB   GLN 101          1HB       GLN 101  12.354 -12.310  14.973
  799   1HG   GLN 101          2HG       GLN 101  10.946 -10.122  14.371
  800   2HG   GLN 101          1HG       GLN 101   9.792 -11.356  13.864
  801   1HE2  GLN 101          1HE2      GLN 101  12.102 -11.082  16.545
  802   2HE2  GLN 101          2HE2      GLN 101  10.951 -11.398  17.794
  803    H    SER 102           H        SER 102  15.065 -10.435  13.196
  804    HA   SER 102           HA       SER 102  16.475 -12.873  12.516
  805   1HB   SER 102          2HB       SER 102  17.043 -10.037  12.456
  806   2HB   SER 102          1HB       SER 102  18.349 -10.913  13.252
  807    HG   SER 102           HG       SER 102  18.869 -11.066  11.161
  808    H    SER 103           H        SER 103  17.402 -14.234  13.911
  809    HA   SER 103           HA       SER 103  18.088 -15.191  15.858
  810   1HB   SER 103          2HB       SER 103  18.706 -12.299  16.469
  811   2HB   SER 103          1HB       SER 103  19.107 -13.612  17.576
  812    HG   SER 103           HG       SER 103  20.228 -14.553  15.685
  813    H    GLN 104           H        GLN 104  16.467 -16.139  16.915
  814    HA   GLN 104           HA       GLN 104  14.636 -14.439  18.476
  815   1HB   GLN 104          2HB       GLN 104  13.938 -16.180  16.531
  816   2HB   GLN 104          1HB       GLN 104  13.885 -17.248  17.926
  817   1HG   GLN 104          2HG       GLN 104  12.355 -15.666  19.038
  818   2HG   GLN 104          1HG       GLN 104  12.361 -14.676  17.578
  819   1HE2  GLN 104          1HE2      GLN 104  11.593 -15.698  15.600
  820   2HE2  GLN 104          2HE2      GLN 104  10.343 -16.886  15.702
  821    H    LYS 105           H        LYS 105  16.484 -17.460  18.517
  822    HA   LYS 105           HA       LYS 105  16.073 -17.635  21.418
  823   1HB   LYS 105          2HB       LYS 105  16.899 -19.938  21.224
  824   2HB   LYS 105          1HB       LYS 105  15.521 -19.654  20.171
  825   1HG   LYS 105          2HG       LYS 105  17.589 -19.091  18.503
  826   2HG   LYS 105          1HG       LYS 105  18.286 -20.358  19.515
  827   1HD   LYS 105          2HD       LYS 105  17.266 -21.442  17.664
  828   2HD   LYS 105          1HD       LYS 105  16.214 -21.713  19.053
  829   1HE   LYS 105          2HE       LYS 105  15.418 -19.292  17.789
  830   2HE   LYS 105          1HE       LYS 105  15.576 -20.536  16.549
  831   1HZ   LYS 105          1HZ       LYS 105  14.249 -21.935  18.289
  832   2HZ   LYS 105          2HZ       LYS 105  13.445 -20.883  17.237
  833   3HZ   LYS 105          3HZ       LYS 105  13.746 -20.414  18.834
  834    H    LYS 106           H        LYS 106  18.584 -17.441  18.951
  835    HA   LYS 106           HA       LYS 106  20.423 -16.362  20.898
  836   1HB   LYS 106          2HB       LYS 106  20.642 -19.128  19.901
  837   2HB   LYS 106          1HB       LYS 106  22.123 -18.186  19.801
  838   1HG   LYS 106          2HG       LYS 106  20.997 -17.735  22.358
  839   2HG   LYS 106          1HG       LYS 106  20.975 -19.474  22.057
  840   1HD   LYS 106          2HD       LYS 106  23.327 -19.505  21.645
  841   2HD   LYS 106          1HD       LYS 106  23.408 -17.743  21.648
  842   1HE   LYS 106          2HE       LYS 106  24.173 -18.218  23.761
  843   2HE   LYS 106          1HE       LYS 106  22.451 -18.003  24.070
  844   1HZ   LYS 106          1HZ       LYS 106  24.074 -20.400  24.223
  845   2HZ   LYS 106          2HZ       LYS 106  22.550 -20.610  23.520
  846   3HZ   LYS 106          3HZ       LYS 106  22.680 -19.978  25.084
  847    H    SER 107           H        SER 107  22.391 -15.524  19.909
  848    HA   SER 107           HA       SER 107  22.046 -14.981  17.032
  849   1HB   SER 107          2HB       SER 107  22.164 -13.151  19.224
  850   2HB   SER 107          1HB       SER 107  23.605 -12.921  18.233
  851    HG   SER 107           HG       SER 107  22.111 -11.678  17.269
  852    H    CYS 108           H        CYS 108  24.028 -14.543  15.841
  853    HA   CYS 108           HA       CYS 108  26.372 -15.875  17.036
  854   1HB   CYS 108          2HB       CYS 108  26.939 -16.607  14.707
  855   2HB   CYS 108          1HB       CYS 108  25.472 -17.333  15.356
  856    HG   CYS 108           HG       CYS 108  24.869 -16.616  12.987
  857    H    ALA 109           H        ALA 109  25.260 -13.440  14.721
  858    HA   ALA 109           HA       ALA 109  27.903 -12.353  14.357
  859   1HB   ALA 109          1HB       ALA 109  25.699 -12.333  12.808
  860   2HB   ALA 109          2HB       ALA 109  27.024 -11.179  12.644
  861   3HB   ALA 109          3HB       ALA 109  25.576 -10.737  13.548
  862    H    GLU 110           H        GLU 110  24.916 -11.314  15.978
  863    HA   GLU 110           HA       GLU 110  26.340  -9.978  18.041
  864   1HB   GLU 110          2HB       GLU 110  25.852  -8.465  15.677
  865   2HB   GLU 110          1HB       GLU 110  24.812  -7.834  16.946
  866   1HG   GLU 110          2HG       GLU 110  27.682  -8.325  17.555
  867   2HG   GLU 110          1HG       GLU 110  27.236  -6.915  16.594
  Start of MODEL    2
    1   1H    MET   1          1HT       MET   1 -23.996   0.997 -19.681
    2   2H    MET   1          2HT       MET   1 -25.203   0.210 -18.749
    3   3H    MET   1          3HT       MET   1 -23.685  -0.548 -19.006
    4    HA   MET   1           HA       MET   1 -23.549   0.245 -16.887
    5   1HB   MET   1          2HB       MET   1 -22.390   2.335 -18.746
    6   2HB   MET   1          1HB       MET   1 -21.899   2.079 -17.078
    7   1HG   MET   1          2HG       MET   1 -20.304   0.806 -17.984
    8   2HG   MET   1          1HG       MET   1 -21.577  -0.410 -18.083
    9   1HE   MET   1          1HE       MET   1 -18.711   0.527 -20.487
   10   2HE   MET   1          2HE       MET   1 -19.268   1.918 -19.556
   11   3HE   MET   1          3HE       MET   1 -19.468   1.893 -21.308
   12    H    SER   2           H        SER   2 -23.328   2.554 -15.678
   13    HA   SER   2           HA       SER   2 -25.120   4.609 -16.252
   14   1HB   SER   2          2HB       SER   2 -26.309   2.262 -14.866
   15   2HB   SER   2          1HB       SER   2 -26.753   3.859 -14.263
   16    HG   SER   2           HG       SER   2 -27.215   4.332 -16.568
   17    H    ARG   3           H        ARG   3 -23.615   2.647 -13.749
   18    HA   ARG   3           HA       ARG   3 -22.430   3.193 -11.889
   19   1HB   ARG   3          2HB       ARG   3 -22.231   5.628 -13.560
   20   2HB   ARG   3          1HB       ARG   3 -21.864   5.836 -11.854
   21   1HG   ARG   3          2HG       ARG   3 -19.792   5.319 -12.610
   22   2HG   ARG   3          1HG       ARG   3 -20.381   3.687 -12.290
   23   1HD   ARG   3          2HD       ARG   3 -19.637   3.356 -14.407
   24   2HD   ARG   3          1HD       ARG   3 -21.253   3.948 -14.792
   25    HE   ARG   3           HE       ARG   3 -19.228   5.998 -14.611
   26   1HH1  ARG   3          1HH1      ARG   3 -20.876   3.738 -16.701
   27   2HH1  ARG   3          2HH1      ARG   3 -20.518   4.623 -18.146
   28   1HH2  ARG   3          1HH2      ARG   3 -18.754   7.159 -16.511
   29   2HH2  ARG   3          2HH2      ARG   3 -19.313   6.564 -18.039
   30    H    SER   4           H        SER   4 -23.894   2.841 -10.297
   31    HA   SER   4           HA       SER   4 -25.266   5.212  -9.247
   32   1HB   SER   4          2HB       SER   4 -26.497   2.631 -10.078
   33   2HB   SER   4          1HB       SER   4 -27.106   3.381  -8.603
   34    HG   SER   4           HG       SER   4 -26.996   4.523 -11.197
   35    H    ASN   5           H        ASN   5 -24.715   1.760  -8.520
   36    HA   ASN   5           HA       ASN   5 -24.074   2.542  -5.755
   37   1HB   ASN   5          2HB       ASN   5 -26.021   0.969  -6.149
   38   2HB   ASN   5          1HB       ASN   5 -24.847  -0.218  -6.708
   39   1HD2  ASN   5          1HD2      ASN   5 -24.943   2.086  -4.010
   40   2HD2  ASN   5          2HD2      ASN   5 -24.613   0.919  -2.780
   41    H    ARG   6           H        ARG   6 -21.906   2.919  -5.853
   42    HA   ARG   6           HA       ARG   6 -20.074   1.332  -7.323
   43   1HB   ARG   6          2HB       ARG   6 -19.900   3.763  -6.234
   44   2HB   ARG   6          1HB       ARG   6 -19.140   2.848  -4.938
   45   1HG   ARG   6          2HG       ARG   6 -17.384   2.143  -6.307
   46   2HG   ARG   6          1HG       ARG   6 -18.253   2.559  -7.786
   47   1HD   ARG   6          2HD       ARG   6 -17.642   4.725  -7.688
   48   2HD   ARG   6          1HD       ARG   6 -17.803   4.796  -5.933
   49    HE   ARG   6           HE       ARG   6 -15.411   4.377  -7.405
   50   1HH1  ARG   6          1HH1      ARG   6 -17.034   3.471  -4.451
   51   2HH1  ARG   6          2HH1      ARG   6 -15.564   3.153  -3.594
   52   1HH2  ARG   6          1HH2      ARG   6 -13.476   3.958  -6.277
   53   2HH2  ARG   6          2HH2      ARG   6 -13.544   3.430  -4.630
   54    H    GLN   7           H        GLN   7 -19.197  -0.572  -6.855
   55    HA   GLN   7           HA       GLN   7 -18.608  -1.379  -4.167
   56   1HB   GLN   7          2HB       GLN   7 -21.077  -1.869  -4.439
   57   2HB   GLN   7          1HB       GLN   7 -20.629  -3.045  -5.666
   58   1HG   GLN   7          2HG       GLN   7 -19.126  -3.421  -3.225
   59   2HG   GLN   7          1HG       GLN   7 -20.865  -3.485  -2.945
   60   1HE2  GLN   7          1HE2      GLN   7 -21.751  -5.402  -3.161
   61   2HE2  GLN   7          2HE2      GLN   7 -21.155  -6.701  -4.132
   62    H    LYS   8           H        LYS   8 -16.872  -2.663  -4.181
   63    HA   LYS   8           HA       LYS   8 -16.389  -4.644  -6.165
   64   1HB   LYS   8          2HB       LYS   8 -15.806  -2.533  -7.399
   65   2HB   LYS   8          1HB       LYS   8 -14.530  -2.265  -6.220
   66   1HG   LYS   8          2HG       LYS   8 -14.099  -4.856  -7.090
   67   2HG   LYS   8          1HG       LYS   8 -14.575  -3.984  -8.547
   68   1HD   LYS   8          2HD       LYS   8 -12.874  -2.194  -7.636
   69   2HD   LYS   8          1HD       LYS   8 -12.208  -3.586  -6.779
   70   1HE   LYS   8          2HE       LYS   8 -12.743  -3.617  -9.736
   71   2HE   LYS   8          1HE       LYS   8 -11.217  -3.051  -9.061
   72   1HZ   LYS   8          1HZ       LYS   8 -12.044  -5.601  -8.026
   73   2HZ   LYS   8          2HZ       LYS   8 -10.552  -5.127  -8.666
   74   3HZ   LYS   8          3HZ       LYS   8 -11.797  -5.616  -9.700
   75    H    GLU   9           H        GLU   9 -14.962  -6.138  -5.442
   76    HA   GLU   9           HA       GLU   9 -13.775  -5.648  -2.813
   77   1HB   GLU   9          2HB       GLU   9 -13.402  -8.152  -2.862
   78   2HB   GLU   9          1HB       GLU   9 -15.079  -7.626  -2.847
   79   1HG   GLU   9          2HG       GLU   9 -15.509  -8.589  -4.804
   80   2HG   GLU   9          1HG       GLU   9 -14.038  -7.953  -5.537
   81    H    TYR  10           H        TYR  10 -11.600  -5.924  -2.376
   82    HA   TYR  10           HA       TYR  10  -9.845  -6.078  -4.745
   83   1HB   TYR  10          2HB       TYR  10  -9.440  -4.612  -2.128
   84   2HB   TYR  10          1HB       TYR  10  -8.214  -4.759  -3.384
   85    HD1  TYR  10           1HD      TYR  10  -8.483  -3.591  -5.526
   86    HD2  TYR  10           2HD      TYR  10 -11.304  -3.110  -2.377
   87    HE1  TYR  10           1HE      TYR  10  -9.392  -1.603  -6.650
   88    HE2  TYR  10           2HE      TYR  10 -12.220  -1.120  -3.493
   89    HH   TYR  10           HH       TYR  10 -12.251  -0.323  -6.101
   90    H    LYS  11           H        LYS  11  -7.712  -7.060  -4.388
   91    HA   LYS  11           HA       LYS  11  -7.662  -8.959  -2.152
   92   1HB   LYS  11          2HB       LYS  11  -7.010  -9.662  -5.016
   93   2HB   LYS  11          1HB       LYS  11  -6.917 -10.747  -3.635
   94   1HG   LYS  11          2HG       LYS  11  -9.518  -9.433  -4.172
   95   2HG   LYS  11          1HG       LYS  11  -8.996 -10.709  -5.273
   96   1HD   LYS  11          2HD       LYS  11  -8.539 -11.534  -2.567
   97   2HD   LYS  11          1HD       LYS  11 -10.207 -10.984  -2.739
   98   1HE   LYS  11          2HE       LYS  11 -10.024 -13.370  -3.196
   99   2HE   LYS  11          1HE       LYS  11 -10.509 -12.486  -4.642
  100   1HZ   LYS  11          1HZ       LYS  11  -8.595 -12.978  -5.692
  101   2HZ   LYS  11          2HZ       LYS  11  -8.558 -14.281  -4.615
  102   3HZ   LYS  11          3HZ       LYS  11  -7.652 -12.891  -4.289
  103    H    CYS  12           H        CYS  12  -5.544  -9.823  -1.669
  104    HA   CYS  12           HA       CYS  12  -3.566  -7.919  -1.410
  105   1HB   CYS  12          2HB       CYS  12  -3.508 -10.922  -1.332
  106   2HB   CYS  12          1HB       CYS  12  -2.025  -9.995  -1.135
  107    HG   CYS  12           HG       CYS  12  -3.096  -8.920   1.015
  108    H    GLY  13           H        GLY  13  -2.023  -7.094  -2.720
  109   1HA   GLY  13          2HA       GLY  13  -0.310  -7.305  -4.374
  110   2HA   GLY  13          1HA       GLY  13  -1.227  -8.615  -5.101
  111    H    ASP  14           H        ASP  14  -3.655  -6.688  -4.640
  112    HA   ASP  14           HA       ASP  14  -3.713  -5.721  -7.312
  113   1HB   ASP  14          2HB       ASP  14  -5.519  -5.449  -4.929
  114   2HB   ASP  14          1HB       ASP  14  -5.811  -4.484  -6.374
  115    H    LEU  15           H        LEU  15  -3.379  -3.706  -8.130
  116    HA   LEU  15           HA       LEU  15  -2.037  -1.799  -6.377
  117   1HB   LEU  15          2HB       LEU  15  -2.430  -1.676  -9.369
  118   2HB   LEU  15          1HB       LEU  15  -1.362  -0.665  -8.413
  119    HG   LEU  15           HG       LEU  15  -1.052  -3.645  -8.786
  120   1HD1  LEU  15          1HD1      LEU  15  -0.568  -2.599 -10.859
  121   2HD1  LEU  15          2HD1      LEU  15   0.979  -2.938 -10.083
  122   3HD1  LEU  15          3HD1      LEU  15   0.327  -1.300 -10.069
  123   1HD2  LEU  15          1HD2      LEU  15   1.203  -2.036  -7.832
  124   2HD2  LEU  15          2HD2      LEU  15   0.628  -3.615  -7.300
  125   3HD2  LEU  15          3HD2      LEU  15  -0.145  -2.148  -6.700
  126    H    VAL  16           H        VAL  16  -3.115  -0.195  -5.469
  127    HA   VAL  16           HA       VAL  16  -5.333   1.041  -6.925
  128    HB   VAL  16           HB       VAL  16  -6.691   1.120  -4.844
  129   1HG1  VAL  16          1HG1      VAL  16  -6.047  -1.683  -5.748
  130   2HG1  VAL  16          2HG1      VAL  16  -7.064  -0.551  -6.639
  131   3HG1  VAL  16          3HG1      VAL  16  -7.560  -1.113  -5.043
  132   1HG2  VAL  16          1HG2      VAL  16  -5.010   0.800  -3.172
  133   2HG2  VAL  16          2HG2      VAL  16  -4.566  -0.770  -3.845
  134   3HG2  VAL  16          3HG2      VAL  16  -6.138  -0.552  -3.075
  135    H    PHE  17           H        PHE  17  -6.134   3.017  -5.709
  136    HA   PHE  17           HA       PHE  17  -3.811   4.512  -4.669
  137   1HB   PHE  17          2HB       PHE  17  -6.107   5.272  -6.425
  138   2HB   PHE  17          1HB       PHE  17  -5.451   6.497  -5.344
  139    HD1  PHE  17           1HD      PHE  17  -2.714   6.374  -5.357
  140    HD2  PHE  17           2HD      PHE  17  -5.326   5.392  -8.561
  141    HE1  PHE  17           1HE      PHE  17  -0.904   6.817  -6.957
  142    HE2  PHE  17           2HE      PHE  17  -3.525   5.834 -10.173
  143    HZ   PHE  17           HZ       PHE  17  -1.307   6.550  -9.374
  144    H    ALA  18           H        ALA  18  -3.981   5.495  -2.679
  145    HA   ALA  18           HA       ALA  18  -6.520   5.092  -1.254
  146   1HB   ALA  18          1HB       ALA  18  -5.230   3.915   0.141
  147   2HB   ALA  18          2HB       ALA  18  -4.646   5.479   0.708
  148   3HB   ALA  18          3HB       ALA  18  -3.741   4.592  -0.518
  149    H    LYS  19           H        LYS  19  -7.611   6.818  -0.642
  150    HA   LYS  19           HA       LYS  19  -6.363   9.441  -0.838
  151   1HB   LYS  19          2HB       LYS  19  -8.528   9.126  -1.931
  152   2HB   LYS  19          1HB       LYS  19  -9.247   8.643  -0.401
  153   1HG   LYS  19          2HG       LYS  19  -9.899  10.792  -0.346
  154   2HG   LYS  19          1HG       LYS  19  -8.274  11.054   0.287
  155   1HD   LYS  19          2HD       LYS  19  -8.472  11.016  -2.645
  156   2HD   LYS  19          1HD       LYS  19  -9.322  12.348  -1.860
  157   1HE   LYS  19          2HE       LYS  19  -6.610  11.802  -0.853
  158   2HE   LYS  19          1HE       LYS  19  -6.697  12.390  -2.512
  159   1HZ   LYS  19          1HZ       LYS  19  -6.650  13.989  -0.397
  160   2HZ   LYS  19          2HZ       LYS  19  -8.323  13.810  -0.567
  161   3HZ   LYS  19          3HZ       LYS  19  -7.401  14.409  -1.853
  162    H    MET  20           H        MET  20  -5.844  10.677   0.847
  163    HA   MET  20           HA       MET  20  -6.806   9.891   3.518
  164   1HB   MET  20          2HB       MET  20  -4.000  10.455   2.612
  165   2HB   MET  20          1HB       MET  20  -4.468  10.743   4.282
  166   1HG   MET  20          2HG       MET  20  -4.551   8.555   4.777
  167   2HG   MET  20          1HG       MET  20  -5.214   8.114   3.204
  168   1HE   MET  20          1HE       MET  20  -0.976   8.079   4.676
  169   2HE   MET  20          2HE       MET  20  -2.183   6.867   5.105
  170   3HE   MET  20          3HE       MET  20  -2.460   8.565   5.496
  171    H    LYS  21           H        LYS  21  -7.113  11.569   5.002
  172    HA   LYS  21           HA       LYS  21  -7.920  14.047   3.912
  173   1HB   LYS  21          2HB       LYS  21  -8.514  12.738   6.181
  174   2HB   LYS  21          1HB       LYS  21  -7.339  13.879   6.818
  175   1HG   LYS  21          2HG       LYS  21  -9.396  14.934   7.104
  176   2HG   LYS  21          1HG       LYS  21  -8.715  15.685   5.661
  177   1HD   LYS  21          2HD       LYS  21 -10.188  13.396   4.845
  178   2HD   LYS  21          1HD       LYS  21 -11.197  14.323   5.957
  179   1HE   LYS  21          2HE       LYS  21 -11.486  15.983   4.482
  180   2HE   LYS  21          1HE       LYS  21  -9.787  15.982   4.013
  181   1HZ   LYS  21          1HZ       LYS  21 -11.209  15.385   2.159
  182   2HZ   LYS  21          2HZ       LYS  21 -11.855  14.088   3.033
  183   3HZ   LYS  21          3HZ       LYS  21 -10.224  14.077   2.587
  184    H    GLY  22           H        GLY  22  -6.619  15.619   3.228
  185   1HA   GLY  22          2HA       GLY  22  -5.084  17.380   3.714
  186   2HA   GLY  22          1HA       GLY  22  -4.288  16.323   4.869
  187    H    TYR  23           H        TYR  23  -4.918  14.547   2.127
  188    HA   TYR  23           HA       TYR  23  -2.610  15.410   0.602
  189   1HB   TYR  23          2HB       TYR  23  -2.573  12.538   1.459
  190   2HB   TYR  23          1HB       TYR  23  -1.247  13.552   0.901
  191    HD1  TYR  23           1HD      TYR  23  -3.078  12.334   3.760
  192    HD2  TYR  23           2HD      TYR  23  -0.281  15.263   2.463
  193    HE1  TYR  23           1HE      TYR  23  -2.417  12.726   6.095
  194    HE2  TYR  23           2HE      TYR  23   0.391  15.663   4.794
  195    HH   TYR  23           HH       TYR  23   0.077  13.808   7.143
  196    HA   PRO  24           HA       PRO  24  -5.062  13.654  -2.622
  197   1HB   PRO  24          2HB       PRO  24  -3.276  13.470  -4.607
  198   2HB   PRO  24          1HB       PRO  24  -3.789  15.039  -3.973
  199   1HG   PRO  24          2HG       PRO  24  -1.288  13.497  -3.419
  200   2HG   PRO  24          1HG       PRO  24  -1.497  15.238  -3.676
  201   1HD   PRO  24          2HD       PRO  24  -1.259  14.042  -1.203
  202   2HD   PRO  24          1HD       PRO  24  -2.035  15.611  -1.489
  203    H    HIS  25           H        HIS  25  -5.224  11.808  -4.138
  204    HA   HIS  25           HA       HIS  25  -4.977   9.345  -2.955
  205   1HB   HIS  25          2HB       HIS  25  -4.865   9.967  -5.917
  206   2HB   HIS  25          1HB       HIS  25  -5.219   8.390  -5.222
  207    HD1  HIS  25           1HD      HIS  25  -6.682  11.861  -5.487
  208    HD2  HIS  25           2HD      HIS  25  -7.837   7.996  -4.494
  209    HE1  HIS  25           1HE      HIS  25  -9.184  11.945  -5.260
  210    HE2  HIS  25           2HE      HIS  25  -9.849   9.619  -4.560
  211    H    TRP  26           H        TRP  26  -3.192   8.302  -2.267
  212    HA   TRP  26           HA       TRP  26  -0.646   8.773  -3.636
  213   1HB   TRP  26          2HB       TRP  26  -1.127   8.890  -1.027
  214   2HB   TRP  26          1HB       TRP  26  -0.824   7.161  -1.135
  215    HD1  TRP  26           HD       TRP  26   1.683   6.451  -2.079
  216    HE1  TRP  26           1HE      TRP  26   3.940   7.659  -1.759
  217    HE3  TRP  26           3HE      TRP  26  -0.041  11.096  -0.815
  218    HZ2  TRP  26           2HZ      TRP  26   4.853  10.245  -1.065
  219    HZ3  TRP  26           3HZ      TRP  26   1.573  12.870  -0.343
  220    HH2  TRP  26           HH       TRP  26   3.958  12.456  -0.464
  221    HA   PRO  27           HA       PRO  27  -0.913   4.853  -5.742
  222   1HB   PRO  27          2HB       PRO  27   1.840   4.474  -5.954
  223   2HB   PRO  27          1HB       PRO  27   0.837   5.349  -7.112
  224   1HG   PRO  27          2HG       PRO  27   2.559   6.402  -4.918
  225   2HG   PRO  27          1HG       PRO  27   2.258   7.070  -6.532
  226   1HD   PRO  27          2HD       PRO  27   1.097   8.099  -4.340
  227   2HD   PRO  27          1HD       PRO  27   0.244   8.027  -5.896
  228    H    ALA  28           H        ALA  28  -1.396   3.056  -4.669
  229    HA   ALA  28           HA       ALA  28   0.536   1.999  -2.745
  230   1HB   ALA  28          1HB       ALA  28  -1.868   3.298  -2.015
  231   2HB   ALA  28          2HB       ALA  28  -0.688   2.502  -0.973
  232   3HB   ALA  28          3HB       ALA  28  -2.042   1.584  -1.635
  233    H    ARG  29           H        ARG  29  -0.333  -0.178  -1.869
  234    HA   ARG  29           HA       ARG  29  -1.775  -1.700  -3.904
  235   1HB   ARG  29          2HB       ARG  29   0.698  -1.808  -4.380
  236   2HB   ARG  29          1HB       ARG  29   0.900  -2.597  -2.824
  237   1HG   ARG  29          2HG       ARG  29  -0.839  -4.288  -3.742
  238   2HG   ARG  29          1HG       ARG  29  -0.389  -3.625  -5.313
  239   1HD   ARG  29          2HD       ARG  29   1.301  -5.080  -5.300
  240   2HD   ARG  29          1HD       ARG  29   2.038  -4.064  -4.061
  241    HE   ARG  29           HE       ARG  29   0.297  -5.775  -2.755
  242   1HH1  ARG  29          1HH1      ARG  29   3.181  -6.041  -4.703
  243   2HH1  ARG  29          2HH1      ARG  29   3.711  -7.503  -3.941
  244   1HH2  ARG  29          1HH2      ARG  29   0.993  -7.697  -1.753
  245   2HH2  ARG  29          2HH2      ARG  29   2.469  -8.443  -2.266
  246    H    ILE  30           H        ILE  30  -2.555  -3.774  -3.107
  247    HA   ILE  30           HA       ILE  30  -3.259  -3.661  -0.307
  248    HB   ILE  30           HB       ILE  30  -3.826  -5.884  -2.277
  249   1HG1  ILE  30          2HG1      ILE  30  -4.674  -3.704  -3.091
  250   2HG1  ILE  30          1HG1      ILE  30  -5.978  -4.814  -2.682
  251   1HG2  ILE  30          1HG2      ILE  30  -5.629  -5.242  -0.018
  252   2HG2  ILE  30          2HG2      ILE  30  -4.093  -6.015   0.369
  253   3HG2  ILE  30          3HG2      ILE  30  -5.219  -6.799  -0.739
  254   1HD1  ILE  30          1HD1      ILE  30  -5.038  -2.847  -0.652
  255   2HD1  ILE  30          2HD1      ILE  30  -6.625  -3.589  -0.853
  256   3HD1  ILE  30          3HD1      ILE  30  -6.097  -2.323  -1.961
  257    H    ASP  31           H        ASP  31  -2.385  -4.866   1.329
  258    HA   ASP  31           HA       ASP  31  -0.326  -6.823   0.578
  259   1HB   ASP  31          2HB       ASP  31   0.252  -4.428   1.687
  260   2HB   ASP  31          1HB       ASP  31   0.042  -5.401   3.140
  261    H    GLU  32           H        GLU  32  -3.071  -6.132   2.561
  262    HA   GLU  32           HA       GLU  32  -3.193  -8.850   3.418
  263   1HB   GLU  32          2HB       GLU  32  -1.938  -6.905   5.162
  264   2HB   GLU  32          1HB       GLU  32  -3.350  -7.629   5.920
  265   1HG   GLU  32          2HG       GLU  32  -1.262  -9.327   4.613
  266   2HG   GLU  32          1HG       GLU  32  -1.059  -8.732   6.260
  267    H    MET  33           H        MET  33  -5.083  -9.281   4.795
  268    HA   MET  33           HA       MET  33  -7.114  -7.226   4.937
  269   1HB   MET  33          2HB       MET  33  -8.760  -8.726   3.697
  270   2HB   MET  33          1HB       MET  33  -7.581  -7.861   2.721
  271   1HG   MET  33          2HG       MET  33  -6.210  -9.884   2.596
  272   2HG   MET  33          1HG       MET  33  -7.411 -10.747   3.554
  273   1HE   MET  33          1HE       MET  33  -8.687  -8.869  -0.445
  274   2HE   MET  33          2HE       MET  33  -7.222  -8.383   0.407
  275   3HE   MET  33          3HE       MET  33  -8.803  -8.080   1.128
  276    HA   PRO  34           HA       PRO  34  -8.630  -9.347   8.475
  277   1HB   PRO  34          2HB       PRO  34 -11.305  -9.529   7.180
  278   2HB   PRO  34          1HB       PRO  34 -10.859  -8.859   8.753
  279   1HG   PRO  34          2HG       PRO  34 -11.446  -7.254   6.711
  280   2HG   PRO  34          1HG       PRO  34 -10.142  -6.850   7.843
  281   1HD   PRO  34          2HD       PRO  34  -9.975  -7.925   5.062
  282   2HD   PRO  34          1HD       PRO  34  -8.919  -6.762   5.889
  283    H    GLU  35           H        GLU  35  -8.696 -11.411   9.171
  284    HA   GLU  35           HA       GLU  35  -8.707 -13.510   7.190
  285   1HB   GLU  35          2HB       GLU  35  -7.562 -13.133   9.766
  286   2HB   GLU  35          1HB       GLU  35  -8.566 -14.574   9.825
  287   1HG   GLU  35          2HG       GLU  35  -6.258 -15.097   9.249
  288   2HG   GLU  35          1HG       GLU  35  -7.368 -15.522   7.948
  289    H    ALA  36           H        ALA  36 -10.170 -13.592  10.389
  290    HA   ALA  36           HA       ALA  36 -12.847 -13.837   9.479
  291   1HB   ALA  36          1HB       ALA  36 -11.414 -16.156   9.143
  292   2HB   ALA  36          2HB       ALA  36 -13.168 -16.042   9.277
  293   3HB   ALA  36          3HB       ALA  36 -12.197 -16.403  10.704
  294    H    ALA  37           H        ALA  37 -10.482 -14.582  11.970
  295    HA   ALA  37           HA       ALA  37 -11.972 -13.133  13.939
  296   1HB   ALA  37          1HB       ALA  37 -12.543 -14.844  15.416
  297   2HB   ALA  37          2HB       ALA  37 -11.480 -16.009  14.627
  298   3HB   ALA  37          3HB       ALA  37 -12.976 -15.506  13.839
  299    H    VAL  38           H        VAL  38 -10.035 -11.931  13.942
  300    HA   VAL  38           HA       VAL  38  -7.990 -13.046  15.683
  301    HB   VAL  38           HB       VAL  38  -6.184 -12.118  14.134
  302   1HG1  VAL  38          1HG1      VAL  38  -7.226 -14.620  14.431
  303   2HG1  VAL  38          2HG1      VAL  38  -5.768 -14.234  13.516
  304   3HG1  VAL  38          3HG1      VAL  38  -7.314 -14.399  12.684
  305   1HG2  VAL  38          1HG2      VAL  38  -8.359 -11.285  12.643
  306   2HG2  VAL  38          2HG2      VAL  38  -7.759 -12.686  11.755
  307   3HG2  VAL  38          3HG2      VAL  38  -6.681 -11.334  12.102
  308    H    LYS  39           H        LYS  39 -10.083 -10.806  15.508
  309    HA   LYS  39           HA       LYS  39 -10.312  -8.601  16.046
  310   1HB   LYS  39          2HB       LYS  39  -7.865  -9.035  17.744
  311   2HB   LYS  39          1HB       LYS  39  -9.235  -7.981  18.064
  312   1HG   LYS  39          2HG       LYS  39 -10.442  -9.625  18.985
  313   2HG   LYS  39          1HG       LYS  39  -9.941 -10.807  17.775
  314   1HD   LYS  39          2HD       LYS  39  -7.623 -10.456  19.133
  315   2HD   LYS  39          1HD       LYS  39  -8.803 -10.202  20.422
  316   1HE   LYS  39          2HE       LYS  39  -8.301 -12.511  20.436
  317   2HE   LYS  39          1HE       LYS  39  -9.888 -12.358  19.682
  318   1HZ   LYS  39          1HZ       LYS  39  -7.294 -12.955  18.403
  319   2HZ   LYS  39          2HZ       LYS  39  -8.593 -12.355  17.502
  320   3HZ   LYS  39          3HZ       LYS  39  -8.742 -13.828  18.319
  321    H    SER  40           H        SER  40  -8.705  -6.549  16.689
  322    HA   SER  40           HA       SER  40  -7.532  -4.857  15.711
  323   1HB   SER  40          2HB       SER  40  -5.578  -6.792  14.558
  324   2HB   SER  40          1HB       SER  40  -5.290  -5.298  15.449
  325    HG   SER  40           HG       SER  40  -6.143  -6.508  17.318
  326    H    THR  41           H        THR  41  -9.614  -6.106  14.105
  327    HA   THR  41           HA       THR  41  -8.991  -4.885  11.597
  328    HB   THR  41           HB       THR  41  -9.658  -7.260  10.491
  329    HG1  THR  41           1HG      THR  41  -7.949  -7.923  12.649
  330   1HG2  THR  41          1HG2      THR  41  -7.242  -5.744  10.751
  331   2HG2  THR  41          2HG2      THR  41  -7.798  -6.752   9.415
  332   3HG2  THR  41          3HG2      THR  41  -6.887  -7.472  10.742
  333    H    ALA  42           H        ALA  42 -10.852  -3.710  12.050
  334    HA   ALA  42           HA       ALA  42 -13.371  -4.992  12.524
  335   1HB   ALA  42          1HB       ALA  42 -12.561  -2.154  11.963
  336   2HB   ALA  42          2HB       ALA  42 -13.175  -2.849  13.464
  337   3HB   ALA  42          3HB       ALA  42 -14.254  -2.635  12.085
  338    H    ASN  43           H        ASN  43 -12.582  -2.702   9.946
  339    HA   ASN  43           HA       ASN  43 -13.325  -4.548   7.873
  340   1HB   ASN  43          2HB       ASN  43 -15.413  -3.173   8.993
  341   2HB   ASN  43          1HB       ASN  43 -14.961  -2.112   7.664
  342   1HD2  ASN  43          1HD2      ASN  43 -15.174  -2.835   5.550
  343   2HD2  ASN  43          2HD2      ASN  43 -16.120  -4.221   5.143
  344    H    LYS  44           H        LYS  44 -10.922  -3.517   8.156
  345    HA   LYS  44           HA       LYS  44 -10.775  -1.509   6.016
  346   1HB   LYS  44          2HB       LYS  44  -8.797  -1.353   8.244
  347   2HB   LYS  44          1HB       LYS  44  -9.381  -0.086   7.175
  348   1HG   LYS  44          2HG       LYS  44 -11.224   0.343   8.460
  349   2HG   LYS  44          1HG       LYS  44 -11.285  -1.293   9.120
  350   1HD   LYS  44          2HD       LYS  44  -9.099   0.670   9.782
  351   2HD   LYS  44          1HD       LYS  44 -10.579   0.520  10.730
  352   1HE   LYS  44          2HE       LYS  44  -9.628  -2.091  10.410
  353   2HE   LYS  44          1HE       LYS  44  -8.204  -1.113  10.761
  354   1HZ   LYS  44          1HZ       LYS  44  -9.689  -0.163  12.633
  355   2HZ   LYS  44          2HZ       LYS  44  -8.951  -1.669  12.848
  356   3HZ   LYS  44          3HZ       LYS  44 -10.587  -1.582  12.423
  357    H    TYR  45           H        TYR  45  -9.042  -1.660   4.648
  358    HA   TYR  45           HA       TYR  45  -7.581  -4.200   4.738
  359   1HB   TYR  45          2HB       TYR  45  -7.831  -2.137   2.530
  360   2HB   TYR  45          1HB       TYR  45  -6.995  -3.682   2.391
  361    HD1  TYR  45           1HD      TYR  45 -10.293  -2.077   2.767
  362    HD2  TYR  45           2HD      TYR  45  -8.208  -5.716   2.056
  363    HE1  TYR  45           1HE      TYR  45 -12.405  -3.151   2.111
  364    HE2  TYR  45           2HE      TYR  45 -10.314  -6.800   1.395
  365    HH   TYR  45           HH       TYR  45 -12.873  -5.421   0.435
  366    H    GLN  46           H        GLN  46  -5.282  -4.264   4.363
  367    HA   GLN  46           HA       GLN  46  -3.915  -1.910   5.461
  368   1HB   GLN  46          2HB       GLN  46  -3.683  -4.376   6.353
  369   2HB   GLN  46          1HB       GLN  46  -2.558  -4.543   5.012
  370   1HG   GLN  46          2HG       GLN  46  -1.945  -2.144   6.409
  371   2HG   GLN  46          1HG       GLN  46  -2.096  -3.455   7.577
  372   1HE2  GLN  46          1HE2      GLN  46   0.249  -2.799   7.752
  373   2HE2  GLN  46          2HE2      GLN  46   1.369  -3.653   6.751
  374    H    VAL  47           H        VAL  47  -3.314  -0.549   3.913
  375    HA   VAL  47           HA       VAL  47  -2.307  -1.636   1.385
  376    HB   VAL  47           HB       VAL  47  -2.749   0.476   0.370
  377   1HG1  VAL  47          1HG1      VAL  47  -5.239   0.777   1.455
  378   2HG1  VAL  47          2HG1      VAL  47  -4.828  -0.874   1.917
  379   3HG1  VAL  47          3HG1      VAL  47  -4.800  -0.401   0.218
  380   1HG2  VAL  47          1HG2      VAL  47  -2.693   1.448   3.135
  381   2HG2  VAL  47          2HG2      VAL  47  -3.973   2.149   2.145
  382   3HG2  VAL  47          3HG2      VAL  47  -2.290   2.278   1.631
  383    H    PHE  48           H        PHE  48  -0.444  -0.886   0.427
  384    HA   PHE  48           HA       PHE  48   1.571   0.169   2.299
  385   1HB   PHE  48          2HB       PHE  48   2.070  -2.045   1.350
  386   2HB   PHE  48          1HB       PHE  48   1.929  -1.387  -0.276
  387    HD1  PHE  48           1HD      PHE  48   3.749  -0.519   2.873
  388    HD2  PHE  48           2HD      PHE  48   3.915  -1.036  -1.350
  389    HE1  PHE  48           1HE      PHE  48   6.144   0.047   2.901
  390    HE2  PHE  48           2HE      PHE  48   6.311  -0.474  -1.329
  391    HZ   PHE  48           HZ       PHE  48   7.428   0.070   0.798
  392    H    PHE  49           H        PHE  49   2.287   2.180   1.981
  393    HA   PHE  49           HA       PHE  49   1.536   3.596  -0.458
  394   1HB   PHE  49          2HB       PHE  49   2.650   4.567   2.181
  395   2HB   PHE  49          1HB       PHE  49   2.327   5.618   0.805
  396    HD1  PHE  49           1HD      PHE  49  -0.119   5.430  -0.171
  397    HD2  PHE  49           2HD      PHE  49   1.021   4.300   3.770
  398    HE1  PHE  49           1HE      PHE  49  -2.452   5.658   0.566
  399    HE2  PHE  49           2HE      PHE  49  -1.307   4.529   4.508
  400    HZ   PHE  49           HZ       PHE  49  -3.051   5.204   2.910
  401    H    PHE  50           H        PHE  50   2.961   3.407  -2.087
  402    HA   PHE  50           HA       PHE  50   5.668   2.725  -1.804
  403   1HB   PHE  50          2HB       PHE  50   4.122   3.968  -4.078
  404   2HB   PHE  50          1HB       PHE  50   5.831   3.566  -4.208
  405    HD1  PHE  50           1HD      PHE  50   2.660   2.433  -4.935
  406    HD2  PHE  50           2HD      PHE  50   6.351   1.075  -3.309
  407    HE1  PHE  50           1HE      PHE  50   2.068   0.118  -5.528
  408    HE2  PHE  50           2HE      PHE  50   5.767  -1.239  -3.905
  409    HZ   PHE  50           HZ       PHE  50   3.624  -1.720  -5.016
  410    H    GLY  51           H        GLY  51   7.379   4.250  -2.982
  411   1HA   GLY  51          2HA       GLY  51   8.614   6.196  -2.910
  412   2HA   GLY  51          1HA       GLY  51   7.137   7.051  -2.486
  413    H    THR  52           H        THR  52   6.358   6.417  -0.164
  414    HA   THR  52           HA       THR  52   8.585   7.007   1.624
  415    HB   THR  52           HB       THR  52   6.801   7.464   3.283
  416    HG1  THR  52           1HG      THR  52   5.313   5.935   2.038
  417   1HG2  THR  52          1HG2      THR  52   7.370   9.398   2.137
  418   2HG2  THR  52          2HG2      THR  52   5.617   9.306   1.964
  419   3HG2  THR  52          3HG2      THR  52   6.662   8.823   0.628
  420    H    HIS  53           H        HIS  53   6.503   4.414   0.736
  421    HA   HIS  53           HA       HIS  53   6.385   2.229   1.375
  422   1HB   HIS  53          2HB       HIS  53   8.912   2.880   2.915
  423   2HB   HIS  53          1HB       HIS  53   8.284   1.261   2.632
  424    HD1  HIS  53           1HD      HIS  53   9.822   0.209   1.006
  425    HD2  HIS  53           2HD      HIS  53   8.937   4.136  -0.016
  426    HE1  HIS  53           1HE      HIS  53  10.953   0.599  -1.206
  427    HE2  HIS  53           2HE      HIS  53  10.476   3.010  -1.763
  428    H    GLU  54           H        GLU  54   4.943   4.201   2.798
  429    HA   GLU  54           HA       GLU  54   5.062   3.405   5.601
  430   1HB   GLU  54          2HB       GLU  54   3.193   5.365   4.258
  431   2HB   GLU  54          1HB       GLU  54   3.443   5.170   5.986
  432   1HG   GLU  54          2HG       GLU  54   5.672   6.015   5.832
  433   2HG   GLU  54          1HG       GLU  54   5.601   6.025   4.069
  434    H    THR  55           H        THR  55   3.162   2.622   6.731
  435    HA   THR  55           HA       THR  55   1.283   1.232   4.949
  436    HB   THR  55           HB       THR  55   1.361  -0.279   7.282
  437    HG1  THR  55           1HG      THR  55   3.583  -0.699   7.547
  438   1HG2  THR  55          1HG2      THR  55   2.983  -1.724   5.737
  439   2HG2  THR  55          2HG2      THR  55   2.331  -0.625   4.522
  440   3HG2  THR  55          3HG2      THR  55   1.240  -1.625   5.482
  441    H    ALA  56           H        ALA  56  -0.815   1.202   5.459
  442    HA   ALA  56           HA       ALA  56  -1.739   2.158   8.034
  443   1HB   ALA  56          1HB       ALA  56  -1.197   4.127   6.384
  444   2HB   ALA  56          2HB       ALA  56  -2.622   4.173   7.426
  445   3HB   ALA  56          3HB       ALA  56  -2.782   3.715   5.729
  446    H    PHE  57           H        PHE  57  -4.282   2.465   7.852
  447    HA   PHE  57           HA       PHE  57  -5.301   0.191   6.282
  448   1HB   PHE  57          2HB       PHE  57  -6.034   1.099   9.067
  449   2HB   PHE  57          1HB       PHE  57  -7.012  -0.034   8.141
  450    HD1  PHE  57           1HD      PHE  57  -6.744  -2.218   8.749
  451    HD2  PHE  57           2HD      PHE  57  -3.384   0.387   8.926
  452    HE1  PHE  57           1HE      PHE  57  -5.347  -4.079   9.552
  453    HE2  PHE  57           2HE      PHE  57  -1.982  -1.468   9.727
  454    HZ   PHE  57           HZ       PHE  57  -2.962  -3.705  10.042
  455    H    LEU  58           H        LEU  58  -6.888   0.635   4.890
  456    HA   LEU  58           HA       LEU  58  -8.598   2.960   5.380
  457   1HB   LEU  58          2HB       LEU  58  -7.061   2.412   2.848
  458   2HB   LEU  58          1HB       LEU  58  -8.421   3.516   2.923
  459    HG   LEU  58           HG       LEU  58  -6.933   4.550   4.902
  460   1HD1  LEU  58          1HD1      LEU  58  -4.812   3.761   2.948
  461   2HD1  LEU  58          2HD1      LEU  58  -5.200   2.720   4.318
  462   3HD1  LEU  58          3HD1      LEU  58  -4.648   4.373   4.594
  463   1HD2  LEU  58          1HD2      LEU  58  -7.723   5.317   2.401
  464   2HD2  LEU  58          2HD2      LEU  58  -5.967   5.430   2.285
  465   3HD2  LEU  58          3HD2      LEU  58  -6.826   6.323   3.539
  466    H    GLY  59           H        GLY  59 -10.558   2.966   4.011
  467   1HA   GLY  59          2HA       GLY  59 -11.535   0.225   3.718
  468   2HA   GLY  59          1HA       GLY  59 -12.523   1.675   3.796
  469    HA   PRO  60           HA       PRO  60 -12.003   0.114  -0.651
  470   1HB   PRO  60          2HB       PRO  60 -14.669  -0.257  -1.126
  471   2HB   PRO  60          1HB       PRO  60 -13.592  -1.530  -0.541
  472   1HG   PRO  60          2HG       PRO  60 -15.490   0.199   0.995
  473   2HG   PRO  60          1HG       PRO  60 -15.177  -1.538   1.158
  474   1HD   PRO  60          2HD       PRO  60 -14.117   0.271   2.851
  475   2HD   PRO  60          1HD       PRO  60 -13.245  -1.204   2.382
  476    H    LYS  61           H        LYS  61 -14.076   2.403   1.010
  477    HA   LYS  61           HA       LYS  61 -14.902   3.844  -1.293
  478   1HB   LYS  61          2HB       LYS  61 -14.708   4.773   1.578
  479   2HB   LYS  61          1HB       LYS  61 -15.601   5.577   0.293
  480   1HG   LYS  61          2HG       LYS  61 -16.186   2.771   1.200
  481   2HG   LYS  61          1HG       LYS  61 -16.974   4.199   1.874
  482   1HD   LYS  61          2HD       LYS  61 -17.572   4.776  -0.553
  483   2HD   LYS  61          1HD       LYS  61 -17.133   3.107  -0.919
  484   1HE   LYS  61          2HE       LYS  61 -18.749   2.680   1.169
  485   2HE   LYS  61          1HE       LYS  61 -19.451   4.184   0.575
  486   1HZ   LYS  61          1HZ       LYS  61 -20.155   1.803  -0.337
  487   2HZ   LYS  61          2HZ       LYS  61 -18.898   2.137  -1.418
  488   3HZ   LYS  61          3HZ       LYS  61 -20.208   3.199  -1.291
  489    H    ASP  62           H        ASP  62 -12.055   3.865   0.686
  490    HA   ASP  62           HA       ASP  62 -11.113   6.337  -0.573
  491   1HB   ASP  62          2HB       ASP  62 -10.242   4.790   1.851
  492   2HB   ASP  62          1HB       ASP  62  -9.170   5.972   1.106
  493    H    LEU  63           H        LEU  63 -11.154   3.259  -1.465
  494    HA   LEU  63           HA       LEU  63  -8.398   3.291  -2.493
  495   1HB   LEU  63          2HB       LEU  63 -10.230   0.934  -2.034
  496   2HB   LEU  63          1HB       LEU  63  -8.628   0.842  -2.743
  497    HG   LEU  63           HG       LEU  63  -9.028   1.966   0.011
  498   1HD1  LEU  63          1HD1      LEU  63  -9.055  -0.883  -0.859
  499   2HD1  LEU  63          2HD1      LEU  63  -9.970  -0.084   0.421
  500   3HD1  LEU  63          3HD1      LEU  63  -8.261  -0.453   0.657
  501   1HD2  LEU  63          1HD2      LEU  63  -6.750   1.623   0.277
  502   2HD2  LEU  63          2HD2      LEU  63  -6.871   2.146  -1.403
  503   3HD2  LEU  63          3HD2      LEU  63  -6.674   0.435  -1.024
  504    H    PHE  64           H        PHE  64  -8.067   3.139  -4.666
  505    HA   PHE  64           HA       PHE  64 -10.396   2.681  -6.398
  506   1HB   PHE  64          2HB       PHE  64  -8.423   4.918  -6.889
  507   2HB   PHE  64          1HB       PHE  64  -9.926   4.602  -7.748
  508    HD1  PHE  64           1HD      PHE  64  -8.745   5.279  -4.271
  509    HD2  PHE  64           2HD      PHE  64 -11.736   5.905  -7.231
  510    HE1  PHE  64           1HE      PHE  64  -9.932   6.797  -2.743
  511    HE2  PHE  64           2HE      PHE  64 -12.929   7.427  -5.710
  512    HZ   PHE  64           HZ       PHE  64 -12.026   7.874  -3.462
  513    HA   PRO  65           HA       PRO  65  -7.647   0.260  -8.855
  514   1HB   PRO  65          2HB       PRO  65  -8.805   1.292 -11.334
  515   2HB   PRO  65          1HB       PRO  65  -8.932  -0.321 -10.635
  516   1HG   PRO  65          2HG       PRO  65 -11.029   1.378 -10.741
  517   2HG   PRO  65          1HG       PRO  65 -10.817   0.207  -9.426
  518   1HD   PRO  65          2HD       PRO  65 -10.222   3.144  -9.464
  519   2HD   PRO  65          1HD       PRO  65 -10.968   2.162  -8.186
  520    H    TYR  66           H        TYR  66  -5.563   0.856  -8.961
  521    HA   TYR  66           HA       TYR  66  -4.549   3.351  -9.591
  522   1HB   TYR  66          2HB       TYR  66  -3.188   1.691  -8.475
  523   2HB   TYR  66          1HB       TYR  66  -3.240   0.640  -9.888
  524    HD1  TYR  66           1HD      TYR  66  -1.964   3.884  -8.632
  525    HD2  TYR  66           2HD      TYR  66  -1.696   0.905 -11.658
  526    HE1  TYR  66           1HE      TYR  66   0.068   4.961  -9.506
  527    HE2  TYR  66           2HE      TYR  66   0.335   1.973 -12.541
  528    HH   TYR  66           HH       TYR  66   1.335   5.083 -11.597
  529    H    GLU  67           H        GLU  67  -4.511   0.502 -11.743
  530    HA   GLU  67           HA       GLU  67  -3.492   1.679 -14.009
  531   1HB   GLU  67          2HB       GLU  67  -5.353  -0.600 -13.538
  532   2HB   GLU  67          1HB       GLU  67  -5.153  -0.028 -15.190
  533   1HG   GLU  67          2HG       GLU  67  -3.471  -1.504 -15.224
  534   2HG   GLU  67          1HG       GLU  67  -2.577  -0.207 -14.432
  535    H    GLU  68           H        GLU  68  -6.850   1.634 -12.950
  536    HA   GLU  68           HA       GLU  68  -7.882   2.959 -15.229
  537   1HB   GLU  68          2HB       GLU  68  -8.980   1.571 -13.160
  538   2HB   GLU  68          1HB       GLU  68  -9.423   3.221 -12.745
  539   1HG   GLU  68          2HG       GLU  68 -10.009   1.836 -15.352
  540   2HG   GLU  68          1HG       GLU  68 -11.159   2.116 -14.046
  541    H    SER  69           H        SER  69  -6.822   4.116 -12.055
  542    HA   SER  69           HA       SER  69  -7.475   6.849 -12.929
  543   1HB   SER  69          2HB       SER  69  -6.735   5.985 -10.135
  544   2HB   SER  69          1HB       SER  69  -7.493   7.499 -10.633
  545    HG   SER  69           HG       SER  69  -8.602   4.983 -10.276
  546    H    LYS  70           H        LYS  70  -4.926   4.994 -13.318
  547    HA   LYS  70           HA       LYS  70  -2.777   6.233 -12.060
  548   1HB   LYS  70          2HB       LYS  70  -1.369   5.174 -13.643
  549   2HB   LYS  70          1HB       LYS  70  -2.733   4.095 -13.392
  550   1HG   LYS  70          2HG       LYS  70  -3.703   4.726 -15.483
  551   2HG   LYS  70          1HG       LYS  70  -2.506   6.002 -15.708
  552   1HD   LYS  70          2HD       LYS  70  -1.323   4.505 -16.866
  553   2HD   LYS  70          1HD       LYS  70  -0.969   3.741 -15.315
  554   1HE   LYS  70          2HE       LYS  70  -2.461   2.051 -15.650
  555   2HE   LYS  70          1HE       LYS  70  -3.530   3.044 -16.640
  556   1HZ   LYS  70          1HZ       LYS  70  -0.873   2.166 -17.598
  557   2HZ   LYS  70          2HZ       LYS  70  -2.171   2.757 -18.507
  558   3HZ   LYS  70          3HZ       LYS  70  -2.259   1.219 -17.809
  559    H    GLU  71           H        GLU  71  -4.318   7.059 -15.147
  560    HA   GLU  71           HA       GLU  71  -2.505   9.126 -15.812
  561   1HB   GLU  71          2HB       GLU  71  -5.106   8.149 -16.822
  562   2HB   GLU  71          1HB       GLU  71  -4.720   9.824 -17.190
  563   1HG   GLU  71          2HG       GLU  71  -2.716   7.677 -17.720
  564   2HG   GLU  71          1HG       GLU  71  -4.046   7.949 -18.844
  565    H    LYS  72           H        LYS  72  -5.472   9.089 -13.927
  566    HA   LYS  72           HA       LYS  72  -5.632  11.974 -13.840
  567   1HB   LYS  72          2HB       LYS  72  -7.581  11.649 -12.433
  568   2HB   LYS  72          1HB       LYS  72  -7.671  10.604 -13.844
  569   1HG   LYS  72          2HG       LYS  72  -7.021   8.696 -12.531
  570   2HG   LYS  72          1HG       LYS  72  -6.765   9.717 -11.115
  571   1HD   LYS  72          2HD       LYS  72  -8.868   8.938 -10.663
  572   2HD   LYS  72          1HD       LYS  72  -9.272  10.393 -11.575
  573   1HE   LYS  72          2HE       LYS  72  -9.288   8.893 -13.637
  574   2HE   LYS  72          1HE       LYS  72  -9.284   7.538 -12.509
  575   1HZ   LYS  72          1HZ       LYS  72 -11.271   9.552 -11.940
  576   2HZ   LYS  72          2HZ       LYS  72 -11.419   7.867 -11.990
  577   3HZ   LYS  72          3HZ       LYS  72 -11.494   8.764 -13.421
  578    H    PHE  73           H        PHE  73  -4.773   9.385 -11.561
  579    HA   PHE  73           HA       PHE  73  -4.029  11.414  -9.585
  580   1HB   PHE  73          2HB       PHE  73  -4.177   8.407  -9.321
  581   2HB   PHE  73          1HB       PHE  73  -3.855   9.538  -8.013
  582    HD1  PHE  73           1HD      PHE  73  -5.955  11.594  -9.194
  583    HD2  PHE  73           2HD      PHE  73  -6.076   7.472  -8.137
  584    HE1  PHE  73           1HE      PHE  73  -8.369  11.778  -8.758
  585    HE2  PHE  73           2HE      PHE  73  -8.491   7.651  -7.703
  586    HZ   PHE  73           HZ       PHE  73  -9.640   9.806  -8.013
  587    H    GLY  74           H        GLY  74  -2.495   9.653 -12.021
  588   1HA   GLY  74          2HA       GLY  74   0.003   9.331 -10.570
  589   2HA   GLY  74          1HA       GLY  74  -0.299   8.878 -12.238
  590    H    LYS  75           H        LYS  75   0.171  11.707 -10.127
  591    HA   LYS  75           HA       LYS  75   1.820  12.919 -12.189
  592   1HB   LYS  75          2HB       LYS  75  -0.747  14.099 -11.163
  593   2HB   LYS  75          1HB       LYS  75   0.555  15.135 -11.731
  594   1HG   LYS  75          2HG       LYS  75  -0.548  12.923 -13.427
  595   2HG   LYS  75          1HG       LYS  75  -1.290  14.523 -13.380
  596   1HD   LYS  75          2HD       LYS  75   1.645  14.262 -13.875
  597   2HD   LYS  75          1HD       LYS  75   0.506  13.968 -15.190
  598   1HE   LYS  75          2HE       LYS  75   0.762  16.484 -13.548
  599   2HE   LYS  75          1HE       LYS  75   1.232  16.274 -15.234
  600   1HZ   LYS  75          1HZ       LYS  75  -1.456  16.490 -14.069
  601   2HZ   LYS  75          2HZ       LYS  75  -1.253  15.612 -15.501
  602   3HZ   LYS  75          3HZ       LYS  75  -0.817  17.246 -15.441
  603    HA   PRO  76           HA       PRO  76   4.320  14.297  -8.842
  604   1HB   PRO  76          2HB       PRO  76   4.769  16.950  -9.485
  605   2HB   PRO  76          1HB       PRO  76   5.655  15.581 -10.165
  606   1HG   PRO  76          2HG       PRO  76   3.356  17.112 -11.310
  607   2HG   PRO  76          1HG       PRO  76   4.803  16.487 -12.122
  608   1HD   PRO  76          2HD       PRO  76   2.441  15.242 -12.330
  609   2HD   PRO  76          1HD       PRO  76   3.960  14.327 -12.232
  610    H    ASN  77           H        ASN  77   4.275  15.391  -6.878
  611    HA   ASN  77           HA       ASN  77   1.948  17.127  -6.398
  612   1HB   ASN  77          2HB       ASN  77   2.325  14.476  -5.384
  613   2HB   ASN  77          1HB       ASN  77   2.379  15.611  -4.039
  614   1HD2  ASN  77          1HD2      ASN  77   0.398  13.730  -5.832
  615   2HD2  ASN  77          2HD2      ASN  77  -1.103  14.545  -5.568
  616    H    LYS  78           H        LYS  78   2.084  18.166  -4.176
  617    HA   LYS  78           HA       LYS  78   4.735  19.338  -3.928
  618   1HB   LYS  78          2HB       LYS  78   1.976  20.131  -3.155
  619   2HB   LYS  78          1HB       LYS  78   3.299  20.756  -2.179
  620   1HG   LYS  78          2HG       LYS  78   2.830  22.375  -3.840
  621   2HG   LYS  78          1HG       LYS  78   4.343  21.592  -4.298
  622   1HD   LYS  78          2HD       LYS  78   3.247  21.578  -6.312
  623   2HD   LYS  78          1HD       LYS  78   2.735  20.019  -5.664
  624   1HE   LYS  78          2HE       LYS  78   1.006  22.203  -4.826
  625   2HE   LYS  78          1HE       LYS  78   1.084  22.036  -6.580
  626   1HZ   LYS  78          1HZ       LYS  78  -0.348  20.375  -6.391
  627   2HZ   LYS  78          2HZ       LYS  78  -0.284  20.424  -4.703
  628   3HZ   LYS  78          3HZ       LYS  78   0.821  19.475  -5.562
  629    H    ARG  79           H        ARG  79   2.835  16.970  -2.364
  630    HA   ARG  79           HA       ARG  79   3.731  17.312   0.294
  631   1HB   ARG  79          2HB       ARG  79   2.724  14.870  -1.169
  632   2HB   ARG  79          1HB       ARG  79   3.057  14.906   0.557
  633   1HG   ARG  79          2HG       ARG  79   1.054  16.655  -0.853
  634   2HG   ARG  79          1HG       ARG  79   0.677  15.179   0.037
  635   1HD   ARG  79          2HD       ARG  79   1.448  16.149   2.090
  636   2HD   ARG  79          1HD       ARG  79   2.054  17.571   1.244
  637    HE   ARG  79           HE       ARG  79  -0.717  17.263   0.778
  638   1HH1  ARG  79          1HH1      ARG  79   1.545  18.221   3.257
  639   2HH1  ARG  79          2HH1      ARG  79   0.426  19.280   4.045
  640   1HH2  ARG  79          1HH2      ARG  79  -2.191  18.658   1.814
  641   2HH2  ARG  79          2HH2      ARG  79  -1.695  19.529   3.226
  642    H    LYS  80           H        LYS  80   5.296  16.291  -2.505
  643    HA   LYS  80           HA       LYS  80   7.358  15.482  -2.942
  644   1HB   LYS  80          2HB       LYS  80   7.797  16.178  -0.035
  645   2HB   LYS  80          1HB       LYS  80   9.075  15.644  -1.118
  646   1HG   LYS  80          2HG       LYS  80   7.539  18.207  -1.134
  647   2HG   LYS  80          1HG       LYS  80   9.282  17.949  -1.156
  648   1HD   LYS  80          2HD       LYS  80   9.059  17.021  -3.455
  649   2HD   LYS  80          1HD       LYS  80   7.344  17.442  -3.421
  650   1HE   LYS  80          2HE       LYS  80   7.933  19.796  -3.108
  651   2HE   LYS  80          1HE       LYS  80   9.646  19.375  -3.131
  652   1HZ   LYS  80          1HZ       LYS  80   9.653  19.307  -5.341
  653   2HZ   LYS  80          2HZ       LYS  80   8.149  20.078  -5.289
  654   3HZ   LYS  80          3HZ       LYS  80   8.231  18.394  -5.422
  655    H    GLY  81           H        GLY  81   8.416  13.532  -2.976
  656   1HA   GLY  81          2HA       GLY  81   8.881  11.326  -2.310
  657   2HA   GLY  81          1HA       GLY  81   7.760  11.522  -0.968
  658    H    PHE  82           H        PHE  82   5.811  12.687  -3.067
  659    HA   PHE  82           HA       PHE  82   4.223  10.422  -3.428
  660   1HB   PHE  82          2HB       PHE  82   3.329  12.687  -3.489
  661   2HB   PHE  82          1HB       PHE  82   4.259  13.045  -4.939
  662    HD1  PHE  82           1HD      PHE  82   3.751  11.679  -7.031
  663    HD2  PHE  82           2HD      PHE  82   1.187  11.825  -3.640
  664    HE1  PHE  82           1HE      PHE  82   1.877  10.907  -8.422
  665    HE2  PHE  82           2HE      PHE  82  -0.691  11.054  -5.023
  666    HZ   PHE  82           HZ       PHE  82  -0.348  10.588  -7.414
  667    H    SER  83           H        SER  83   6.151  12.198  -5.840
  668    HA   SER  83           HA       SER  83   5.733  10.542  -8.013
  669   1HB   SER  83          2HB       SER  83   8.435  11.760  -7.550
  670   2HB   SER  83          1HB       SER  83   7.519  11.622  -9.049
  671    HG   SER  83           HG       SER  83   7.412  13.740  -8.346
  672    H    GLU  84           H        GLU  84   8.249  10.289  -5.513
  673    HA   GLU  84           HA       GLU  84   9.746   8.205  -6.493
  674   1HB   GLU  84          2HB       GLU  84   8.981   9.009  -3.708
  675   2HB   GLU  84          1HB       GLU  84   9.915   7.542  -3.967
  676   1HG   GLU  84          2HG       GLU  84  11.363   9.246  -5.436
  677   2HG   GLU  84          1HG       GLU  84  10.699  10.370  -4.251
  678    H    GLY  85           H        GLY  85   6.540   8.128  -5.101
  679   1HA   GLY  85          2HA       GLY  85   6.429   5.293  -4.764
  680   2HA   GLY  85          1HA       GLY  85   5.062   6.398  -4.742
  681    H    LEU  86           H        LEU  86   5.704   7.512  -7.369
  682    HA   LEU  86           HA       LEU  86   4.151   5.812  -8.976
  683   1HB   LEU  86          2HB       LEU  86   6.012   8.077  -9.687
  684   2HB   LEU  86          1HB       LEU  86   5.007   7.258 -10.868
  685    HG   LEU  86           HG       LEU  86   3.934   8.709  -8.449
  686   1HD1  LEU  86          1HD1      LEU  86   3.895   9.644 -11.308
  687   2HD1  LEU  86          2HD1      LEU  86   5.101  10.167 -10.132
  688   3HD1  LEU  86          3HD1      LEU  86   3.396  10.532  -9.868
  689   1HD2  LEU  86          1HD2      LEU  86   2.573   7.599 -10.901
  690   2HD2  LEU  86          2HD2      LEU  86   1.792   8.527  -9.621
  691   3HD2  LEU  86          3HD2      LEU  86   2.475   6.939  -9.268
  692    H    TRP  87           H        TRP  87   7.647   6.318  -8.793
  693    HA   TRP  87           HA       TRP  87   8.367   4.612 -10.920
  694   1HB   TRP  87          2HB       TRP  87   9.935   6.240 -10.044
  695   2HB   TRP  87          1HB       TRP  87   9.907   5.475  -8.458
  696    HD1  TRP  87           HD       TRP  87  11.550   5.247 -11.849
  697    HE1  TRP  87           1HE      TRP  87  13.345   3.405 -11.807
  698    HE3  TRP  87           3HE      TRP  87  10.449   3.143  -7.320
  699    HZ2  TRP  87           2HZ      TRP  87  14.180   1.329 -10.084
  700    HZ3  TRP  87           3HZ      TRP  87  11.793   1.233  -6.550
  701    HH2  TRP  87           HH       TRP  87  13.620   0.345  -7.904
  702    H    GLU  88           H        GLU  88   8.075   4.020  -7.415
  703    HA   GLU  88           HA       GLU  88   9.004   1.369  -7.456
  704   1HB   GLU  88          2HB       GLU  88   7.790   3.175  -5.550
  705   2HB   GLU  88          1HB       GLU  88   7.161   1.545  -5.356
  706   1HG   GLU  88          2HG       GLU  88   8.956   1.132  -4.126
  707   2HG   GLU  88          1HG       GLU  88   9.874   1.153  -5.630
  708    H    ILE  89           H        ILE  89   5.643   2.600  -7.472
  709    HA   ILE  89           HA       ILE  89   4.315   0.190  -7.471
  710    HB   ILE  89           HB       ILE  89   3.263   2.440  -7.318
  711   1HG1  ILE  89          2HG1      ILE  89   1.569   1.374  -9.385
  712   2HG1  ILE  89          1HG1      ILE  89   2.244   0.058  -8.427
  713   1HG2  ILE  89          1HG2      ILE  89   3.655   3.912  -8.925
  714   2HG2  ILE  89          2HG2      ILE  89   2.571   2.980  -9.957
  715   3HG2  ILE  89          3HG2      ILE  89   4.306   2.672  -9.995
  716   1HD1  ILE  89          1HD1      ILE  89   0.620   0.451  -6.976
  717   2HD1  ILE  89          2HD1      ILE  89   0.199   1.979  -7.752
  718   3HD1  ILE  89          3HD1      ILE  89   1.487   1.925  -6.547
  719    H    GLU  90           H        GLU  90   6.086   1.673 -10.063
  720    HA   GLU  90           HA       GLU  90   5.047  -0.267 -11.991
  721   1HB   GLU  90          2HB       GLU  90   5.901   2.437 -12.169
  722   2HB   GLU  90          1HB       GLU  90   6.982   1.471 -13.162
  723   1HG   GLU  90          2HG       GLU  90   4.684   0.438 -13.987
  724   2HG   GLU  90          1HG       GLU  90   4.091   2.019 -13.476
  725    H    ASN  91           H        ASN  91   8.149   0.832 -10.645
  726    HA   ASN  91           HA       ASN  91   9.637  -1.157 -12.084
  727   1HB   ASN  91          2HB       ASN  91  10.315   0.949 -10.070
  728   2HB   ASN  91          1HB       ASN  91  11.482  -0.323 -10.419
  729   1HD2  ASN  91          1HD2      ASN  91   9.250   1.682 -12.323
  730   2HD2  ASN  91          2HD2      ASN  91  10.427   2.186 -13.483
  731    H    ASN  92           H        ASN  92   8.312  -0.858  -8.841
  732    HA   ASN  92           HA       ASN  92   8.771  -3.676  -8.413
  733   1HB   ASN  92          2HB       ASN  92  10.671  -1.864  -7.453
  734   2HB   ASN  92          1HB       ASN  92   9.693  -2.274  -6.048
  735   1HD2  ASN  92          1HD2      ASN  92   9.910  -4.230  -5.122
  736   2HD2  ASN  92          2HD2      ASN  92  10.999  -5.454  -5.672
  737    HA   PRO  93           HA       PRO  93   4.855  -2.213  -6.532
  738   1HB   PRO  93          2HB       PRO  93   3.693  -4.667  -7.538
  739   2HB   PRO  93          1HB       PRO  93   3.319  -3.004  -7.990
  740   1HG   PRO  93          2HG       PRO  93   4.542  -4.783  -9.661
  741   2HG   PRO  93          1HG       PRO  93   4.763  -3.027  -9.765
  742   1HD   PRO  93          2HD       PRO  93   6.548  -5.096  -8.535
  743   2HD   PRO  93          1HD       PRO  93   6.976  -3.673  -9.511
  744    H    THR  94           H        THR  94   6.787  -5.032  -6.174
  745    HA   THR  94           HA       THR  94   5.220  -5.903  -3.851
  746    HB   THR  94           HB       THR  94   6.342  -8.010  -4.002
  747    HG1  THR  94           1HG      THR  94   8.036  -6.683  -5.832
  748   1HG2  THR  94          1HG2      THR  94   6.088  -8.544  -6.530
  749   2HG2  THR  94          2HG2      THR  94   5.370  -6.934  -6.603
  750   3HG2  THR  94          3HG2      THR  94   4.666  -8.168  -5.558
  751    H    VAL  95           H        VAL  95   7.392  -3.660  -4.214
  752    HA   VAL  95           HA       VAL  95   9.596  -4.368  -2.625
  753    HB   VAL  95           HB       VAL  95   9.551  -2.369  -4.069
  754   1HG1  VAL  95          1HG1      VAL  95   8.353  -0.484  -2.312
  755   2HG1  VAL  95          2HG1      VAL  95   7.192  -1.778  -2.610
  756   3HG1  VAL  95          3HG1      VAL  95   7.896  -0.897  -3.965
  757   1HG2  VAL  95          1HG2      VAL  95  11.214  -2.544  -2.297
  758   2HG2  VAL  95          2HG2      VAL  95  10.104  -1.778  -1.163
  759   3HG2  VAL  95          3HG2      VAL  95  10.729  -0.866  -2.536
  760    H    LYS  96           H        LYS  96  10.076  -4.009  -0.463
  761    HA   LYS  96           HA       LYS  96   8.077  -2.975   1.343
  762   1HB   LYS  96          2HB       LYS  96   8.046  -5.064   2.729
  763   2HB   LYS  96          1HB       LYS  96   7.228  -5.205   1.180
  764   1HG   LYS  96          2HG       LYS  96   9.431  -6.187   0.320
  765   2HG   LYS  96          1HG       LYS  96   9.858  -6.361   2.023
  766   1HD   LYS  96          2HD       LYS  96   7.392  -7.437   2.050
  767   2HD   LYS  96          1HD       LYS  96   7.873  -7.828   0.398
  768   1HE   LYS  96          2HE       LYS  96   9.414  -8.505   2.902
  769   2HE   LYS  96          1HE       LYS  96   8.448  -9.629   1.947
  770   1HZ   LYS  96          1HZ       LYS  96  10.039  -9.805   0.392
  771   2HZ   LYS  96          2HZ       LYS  96  11.070  -9.268   1.621
  772   3HZ   LYS  96          3HZ       LYS  96  10.478  -8.173   0.477
  773    H    ALA  97           H        ALA  97   9.083  -1.890   2.894
  774    HA   ALA  97           HA       ALA  97  11.834  -2.682   3.600
  775   1HB   ALA  97          1HB       ALA  97  11.277  -0.412   2.314
  776   2HB   ALA  97          2HB       ALA  97  12.579  -0.542   3.497
  777   3HB   ALA  97          3HB       ALA  97  11.023   0.142   3.969
  778    H    SER  98           H        SER  98  12.089  -3.267   5.647
  779    HA   SER  98           HA       SER  98   9.961  -2.868   7.555
  780   1HB   SER  98          2HB       SER  98  11.449  -4.972   7.275
  781   2HB   SER  98          1HB       SER  98  12.640  -4.069   8.211
  782    HG   SER  98           HG       SER  98  11.036  -5.488   9.356
  783    H    GLY  99           H        GLY  99  11.116  -2.540   9.952
  784   1HA   GLY  99          2HA       GLY  99  13.122  -0.610  10.203
  785   2HA   GLY  99          1HA       GLY  99  11.590   0.241  10.068
  786    H    TYR 100           H        TYR 100  13.069   0.544  12.329
  787    HA   TYR 100           HA       TYR 100  11.303  -0.635  14.319
  788   1HB   TYR 100          2HB       TYR 100  13.208  -1.295  15.766
  789   2HB   TYR 100          1HB       TYR 100  13.133  -2.226  14.273
  790    HD1  TYR 100           1HD      TYR 100  14.816   0.721  15.803
  791    HD2  TYR 100           2HD      TYR 100  15.011  -2.394  12.915
  792    HE1  TYR 100           1HE      TYR 100  17.149   1.322  15.322
  793    HE2  TYR 100           2HE      TYR 100  17.344  -1.804  12.426
  794    HH   TYR 100           HH       TYR 100  18.938  -0.184  12.698
  795    H    GLN 101           H        GLN 101  12.252   0.246  16.609
  796    HA   GLN 101           HA       GLN 101  12.923   3.083  16.260
  797   1HB   GLN 101          2HB       GLN 101  11.299   3.527  18.189
  798   2HB   GLN 101          1HB       GLN 101  10.603   3.215  16.604
  799   1HG   GLN 101          2HG       GLN 101   9.973   1.019  17.208
  800   2HG   GLN 101          1HG       GLN 101  10.937   1.076  18.684
  801   1HE2  GLN 101          1HE2      GLN 101   9.908   1.542  20.491
  802   2HE2  GLN 101          2HE2      GLN 101   8.362   2.304  20.613
  803    H    SER 102           H        SER 102  14.435   3.821  17.626
  804    HA   SER 102           HA       SER 102  15.363   1.991  19.727
  805   1HB   SER 102          2HB       SER 102  17.489   3.248  19.618
  806   2HB   SER 102          1HB       SER 102  17.044   2.578  18.048
  807    HG   SER 102           HG       SER 102  17.590   4.653  17.639
  808    H    SER 103           H        SER 103  15.887   2.782  21.804
  809    HA   SER 103           HA       SER 103  14.213   5.016  22.626
  810   1HB   SER 103          2HB       SER 103  15.753   2.941  24.197
  811   2HB   SER 103          1HB       SER 103  14.830   4.246  24.944
  812    HG   SER 103           HG       SER 103  13.681   2.440  23.094
  813    H    GLN 104           H        GLN 104  15.336   6.163  24.700
  814    HA   GLN 104           HA       GLN 104  17.556   7.620  23.543
  815   1HB   GLN 104          2HB       GLN 104  16.197   8.043  26.209
  816   2HB   GLN 104          1HB       GLN 104  17.257   9.173  25.377
  817   1HG   GLN 104          2HG       GLN 104  15.649   9.533  23.657
  818   2HG   GLN 104          1HG       GLN 104  14.630   8.227  24.263
  819   1HE2  GLN 104          1HE2      GLN 104  13.148  10.200  24.048
  820   2HE2  GLN 104          2HE2      GLN 104  12.938  11.138  25.484
  821    H    LYS 105           H        LYS 105  16.947   5.490  26.285
  822    HA   LYS 105           HA       LYS 105  19.856   5.361  26.735
  823   1HB   LYS 105          2HB       LYS 105  17.599   5.374  28.727
  824   2HB   LYS 105          1HB       LYS 105  19.182   4.725  29.133
  825   1HG   LYS 105          2HG       LYS 105  19.242   7.393  27.928
  826   2HG   LYS 105          1HG       LYS 105  18.417   7.305  29.485
  827   1HD   LYS 105          2HD       LYS 105  20.333   6.526  30.584
  828   2HD   LYS 105          1HD       LYS 105  21.116   6.057  29.073
  829   1HE   LYS 105          2HE       LYS 105  21.656   8.251  28.527
  830   2HE   LYS 105          1HE       LYS 105  20.439   8.923  29.611
  831   1HZ   LYS 105          1HZ       LYS 105  22.993   8.885  30.220
  832   2HZ   LYS 105          2HZ       LYS 105  22.587   7.355  30.817
  833   3HZ   LYS 105          3HZ       LYS 105  21.791   8.729  31.401
  834    H    LYS 106           H        LYS 106  20.519   3.290  27.842
  835    HA   LYS 106           HA       LYS 106  18.919   0.986  27.788
  836   1HB   LYS 106          2HB       LYS 106  19.380   1.680  25.248
  837   2HB   LYS 106          1HB       LYS 106  20.864   0.788  25.547
  838   1HG   LYS 106          2HG       LYS 106  19.771  -1.086  25.121
  839   2HG   LYS 106          1HG       LYS 106  18.795  -0.806  26.563
  840   1HD   LYS 106          2HD       LYS 106  17.769   0.850  24.503
  841   2HD   LYS 106          1HD       LYS 106  17.998  -0.763  23.824
  842   1HE   LYS 106          2HE       LYS 106  15.858  -0.892  24.690
  843   2HE   LYS 106          1HE       LYS 106  16.832  -1.569  25.995
  844   1HZ   LYS 106          1HZ       LYS 106  16.453   1.294  26.130
  845   2HZ   LYS 106          2HZ       LYS 106  16.336   0.127  27.349
  846   3HZ   LYS 106          3HZ       LYS 106  15.032   0.392  26.305
  847    H    SER 107           H        SER 107  20.430  -1.066  27.683
  848    HA   SER 107           HA       SER 107  22.935  -0.416  29.092
  849   1HB   SER 107          2HB       SER 107  20.757  -2.334  29.814
  850   2HB   SER 107          1HB       SER 107  22.420  -2.743  30.236
  851    HG   SER 107           HG       SER 107  20.804  -0.651  31.159
  852    H    CYS 108           H        CYS 108  24.510  -2.257  29.080
  853    HA   CYS 108           HA       CYS 108  25.859  -3.682  27.932
  854   1HB   CYS 108          2HB       CYS 108  23.533  -4.966  28.079
  855   2HB   CYS 108          1HB       CYS 108  23.580  -4.750  26.333
  856    HG   CYS 108           HG       CYS 108  25.782  -6.153  26.285
  857    H    ALA 109           H        ALA 109  27.105  -2.433  26.650
  858    HA   ALA 109           HA       ALA 109  26.259  -2.137  23.862
  859   1HB   ALA 109          1HB       ALA 109  27.685   0.176  25.054
  860   2HB   ALA 109          2HB       ALA 109  25.971  -0.011  25.420
  861   3HB   ALA 109          3HB       ALA 109  26.505   0.123  23.745
  862    H    GLU 110           H        GLU 110  27.956  -2.045  22.362
  863    HA   GLU 110           HA       GLU 110  30.697  -2.144  23.274
  864   1HB   GLU 110          2HB       GLU 110  29.197  -4.563  22.583
  865   2HB   GLU 110          1HB       GLU 110  30.694  -4.388  21.677
  866   1HG   GLU 110          2HG       GLU 110  30.842  -3.928  24.591
  867   2HG   GLU 110          1HG       GLU 110  30.555  -5.583  24.054
  Start of MODEL    3
    1   1H    MET   1          1HT       MET   1 -22.244 -19.630   2.947
    2   2H    MET   1          2HT       MET   1 -21.979 -18.880   4.468
    3   3H    MET   1          3HT       MET   1 -20.668 -19.588   3.617
    4    HA   MET   1           HA       MET   1 -21.194 -17.981   1.793
    5   1HB   MET   1          2HB       MET   1 -23.420 -17.498   3.129
    6   2HB   MET   1          1HB       MET   1 -22.407 -16.343   3.984
    7   1HG   MET   1          2HG       MET   1 -21.779 -15.459   1.671
    8   2HG   MET   1          1HG       MET   1 -23.159 -16.388   1.086
    9   1HE   MET   1          1HE       MET   1 -21.861 -13.424   1.690
   10   2HE   MET   1          2HE       MET   1 -22.490 -12.730   3.184
   11   3HE   MET   1          3HE       MET   1 -23.263 -12.354   1.644
   12    H    SER   2           H        SER   2 -19.024 -17.708   1.786
   13    HA   SER   2           HA       SER   2 -17.754 -16.434   4.101
   14   1HB   SER   2          2HB       SER   2 -15.614 -17.096   2.959
   15   2HB   SER   2          1HB       SER   2 -16.646 -18.456   3.400
   16    HG   SER   2           HG       SER   2 -16.485 -18.978   1.377
   17    H    ARG   3           H        ARG   3 -18.451 -15.986   0.706
   18    HA   ARG   3           HA       ARG   3 -17.543 -13.206   0.939
   19   1HB   ARG   3          2HB       ARG   3 -16.716 -15.227  -1.104
   20   2HB   ARG   3          1HB       ARG   3 -16.880 -13.545  -1.590
   21   1HG   ARG   3          2HG       ARG   3 -14.869 -13.108  -0.786
   22   2HG   ARG   3          1HG       ARG   3 -15.394 -13.604   0.823
   23   1HD   ARG   3          2HD       ARG   3 -14.889 -15.892  -0.870
   24   2HD   ARG   3          1HD       ARG   3 -13.479 -14.840  -0.781
   25    HE   ARG   3           HE       ARG   3 -14.593 -16.440   1.339
   26   1HH1  ARG   3          1HH1      ARG   3 -12.592 -13.687   0.559
   27   2HH1  ARG   3          2HH1      ARG   3 -11.728 -13.733   2.059
   28   1HH2  ARG   3          1HH2      ARG   3 -13.457 -16.500   3.312
   29   2HH2  ARG   3          2HH2      ARG   3 -12.219 -15.329   3.621
   30    H    SER   4           H        SER   4 -18.395 -11.865  -0.932
   31    HA   SER   4           HA       SER   4 -21.120 -12.764  -1.605
   32   1HB   SER   4          2HB       SER   4 -21.771 -10.380  -1.594
   33   2HB   SER   4          1HB       SER   4 -21.138 -10.889  -0.029
   34    HG   SER   4           HG       SER   4 -19.653  -9.434  -0.233
   35    H    ASN   5           H        ASN   5 -21.984 -11.301  -3.516
   36    HA   ASN   5           HA       ASN   5 -19.907 -11.266  -5.608
   37   1HB   ASN   5          2HB       ASN   5 -22.747 -12.268  -5.727
   38   2HB   ASN   5          1HB       ASN   5 -21.855 -11.835  -7.182
   39   1HD2  ASN   5          1HD2      ASN   5 -20.521 -13.281  -8.050
   40   2HD2  ASN   5          2HD2      ASN   5 -20.090 -14.793  -7.335
   41    H    ARG   6           H        ARG   6 -20.774  -9.065  -3.943
   42    HA   ARG   6           HA       ARG   6 -21.708  -7.273  -6.069
   43   1HB   ARG   6          2HB       ARG   6 -23.489  -8.011  -4.267
   44   2HB   ARG   6          1HB       ARG   6 -22.670  -6.813  -3.276
   45   1HG   ARG   6          2HG       ARG   6 -24.532  -5.757  -4.302
   46   2HG   ARG   6          1HG       ARG   6 -23.077  -5.145  -5.088
   47   1HD   ARG   6          2HD       ARG   6 -24.028  -5.687  -7.027
   48   2HD   ARG   6          1HD       ARG   6 -23.778  -7.376  -6.583
   49    HE   ARG   6           HE       ARG   6 -26.122  -6.727  -5.373
   50   1HH1  ARG   6          1HH1      ARG   6 -24.945  -6.499  -8.650
   51   2HH1  ARG   6          2HH1      ARG   6 -26.512  -6.699  -9.359
   52   1HH2  ARG   6          1HH2      ARG   6 -28.183  -6.991  -6.301
   53   2HH2  ARG   6          2HH2      ARG   6 -28.352  -6.978  -8.025
   54    H    GLN   7           H        GLN   7 -21.221  -4.990  -5.629
   55    HA   GLN   7           HA       GLN   7 -19.852  -3.282  -5.007
   56   1HB   GLN   7          2HB       GLN   7 -18.884  -4.972  -2.707
   57   2HB   GLN   7          1HB       GLN   7 -18.917  -3.217  -2.827
   58   1HG   GLN   7          2HG       GLN   7 -21.161  -3.089  -2.375
   59   2HG   GLN   7          1HG       GLN   7 -21.482  -4.722  -2.956
   60   1HE2  GLN   7          1HE2      GLN   7 -21.228  -2.830  -0.271
   61   2HE2  GLN   7          2HE2      GLN   7 -20.972  -4.057   0.919
   62    H    LYS   8           H        LYS   8 -17.435  -2.804  -4.574
   63    HA   LYS   8           HA       LYS   8 -15.930  -4.495  -6.404
   64   1HB   LYS   8          2HB       LYS   8 -14.243  -2.669  -6.306
   65   2HB   LYS   8          1HB       LYS   8 -15.831  -2.130  -6.836
   66   1HG   LYS   8          2HG       LYS   8 -16.117  -0.791  -5.054
   67   2HG   LYS   8          1HG       LYS   8 -15.335  -1.919  -3.945
   68   1HD   LYS   8          2HD       LYS   8 -13.815  -0.189  -3.971
   69   2HD   LYS   8          1HD       LYS   8 -13.170  -1.231  -5.242
   70   1HE   LYS   8          2HE       LYS   8 -13.211   1.125  -5.922
   71   2HE   LYS   8          1HE       LYS   8 -14.251   0.129  -6.937
   72   1HZ   LYS   8          1HZ       LYS   8 -15.337   1.587  -4.610
   73   2HZ   LYS   8          2HZ       LYS   8 -16.157   0.999  -5.967
   74   3HZ   LYS   8          3HZ       LYS   8 -15.152   2.351  -6.110
   75    H    GLU   9           H        GLU   9 -15.045  -6.230  -5.471
   76    HA   GLU   9           HA       GLU   9 -13.922  -6.033  -2.788
   77   1HB   GLU   9          2HB       GLU   9 -14.663  -8.279  -4.612
   78   2HB   GLU   9          1HB       GLU   9 -13.454  -8.570  -3.369
   79   1HG   GLU   9          2HG       GLU   9 -16.146  -7.399  -2.751
   80   2HG   GLU   9          1HG       GLU   9 -15.854  -9.136  -2.800
   81    H    TYR  10           H        TYR  10 -11.784  -6.082  -2.334
   82    HA   TYR  10           HA       TYR  10  -9.942  -6.068  -4.632
   83   1HB   TYR  10          2HB       TYR  10  -9.818  -4.781  -1.911
   84   2HB   TYR  10          1HB       TYR  10  -8.372  -4.982  -2.897
   85    HD1  TYR  10           1HD      TYR  10 -11.337  -3.027  -2.330
   86    HD2  TYR  10           2HD      TYR  10  -8.296  -3.901  -5.173
   87    HE1  TYR  10           1HE      TYR  10 -11.891  -0.964  -3.547
   88    HE2  TYR  10           2HE      TYR  10  -8.840  -1.839  -6.397
   89    HH   TYR  10           HH       TYR  10 -10.729   0.616  -5.115
   90    H    LYS  11           H        LYS  11  -7.931  -7.187  -4.473
   91    HA   LYS  11           HA       LYS  11  -7.858  -9.263  -2.391
   92   1HB   LYS  11          2HB       LYS  11  -7.422  -9.556  -5.358
   93   2HB   LYS  11          1HB       LYS  11  -6.832 -10.745  -4.204
   94   1HG   LYS  11          2HG       LYS  11  -8.889 -11.564  -4.997
   95   2HG   LYS  11          1HG       LYS  11  -9.206 -10.943  -3.375
   96   1HD   LYS  11          2HD       LYS  11 -10.667  -9.440  -4.142
   97   2HD   LYS  11          1HD       LYS  11  -9.556  -8.898  -5.402
   98   1HE   LYS  11          2HE       LYS  11 -10.975 -11.506  -5.715
   99   2HE   LYS  11          1HE       LYS  11 -11.844 -10.004  -6.030
  100   1HZ   LYS  11          1HZ       LYS  11  -9.900  -9.432  -7.530
  101   2HZ   LYS  11          2HZ       LYS  11 -10.953 -10.638  -8.077
  102   3HZ   LYS  11          3HZ       LYS  11  -9.455 -11.061  -7.415
  103    H    CYS  12           H        CYS  12  -5.829  -9.918  -1.678
  104    HA   CYS  12           HA       CYS  12  -3.866  -7.996  -1.438
  105   1HB   CYS  12          2HB       CYS  12  -4.153 -10.120  -0.077
  106   2HB   CYS  12          1HB       CYS  12  -3.294 -10.958  -1.365
  107    HG   CYS  12           HG       CYS  12  -1.238  -9.322  -0.803
  108    H    GLY  13           H        GLY  13  -2.305  -7.231  -2.753
  109   1HA   GLY  13          2HA       GLY  13  -0.449  -7.698  -4.240
  110   2HA   GLY  13          1HA       GLY  13  -1.435  -8.933  -4.994
  111    H    ASP  14           H        ASP  14  -3.735  -6.870  -4.789
  112    HA   ASP  14           HA       ASP  14  -3.457  -5.910  -7.457
  113   1HB   ASP  14          2HB       ASP  14  -5.531  -5.657  -5.314
  114   2HB   ASP  14          1HB       ASP  14  -5.622  -4.614  -6.728
  115    H    LEU  15           H        LEU  15  -3.204  -3.831  -8.224
  116    HA   LEU  15           HA       LEU  15  -1.901  -1.974  -6.386
  117   1HB   LEU  15          2HB       LEU  15  -2.209  -1.813  -9.387
  118   2HB   LEU  15          1HB       LEU  15  -1.211  -0.767  -8.395
  119    HG   LEU  15           HG       LEU  15  -0.772  -3.738  -8.695
  120   1HD1  LEU  15          1HD1      LEU  15  -0.429  -2.586 -10.821
  121   2HD1  LEU  15          2HD1      LEU  15   1.099  -3.145 -10.140
  122   3HD1  LEU  15          3HD1      LEU  15   0.656  -1.442 -10.030
  123   1HD2  LEU  15          1HD2      LEU  15   1.275  -1.787  -7.757
  124   2HD2  LEU  15          2HD2      LEU  15   1.109  -3.505  -7.402
  125   3HD2  LEU  15          3HD2      LEU  15   0.037  -2.338  -6.629
  126    H    VAL  16           H        VAL  16  -2.943  -0.293  -5.536
  127    HA   VAL  16           HA       VAL  16  -5.190   0.885  -6.998
  128    HB   VAL  16           HB       VAL  16  -6.541   0.986  -4.916
  129   1HG1  VAL  16          1HG1      VAL  16  -5.825  -1.634  -6.176
  130   2HG1  VAL  16          2HG1      VAL  16  -7.265  -0.645  -6.405
  131   3HG1  VAL  16          3HG1      VAL  16  -7.042  -1.544  -4.905
  132   1HG2  VAL  16          1HG2      VAL  16  -5.299   0.670  -3.055
  133   2HG2  VAL  16          2HG2      VAL  16  -4.162  -0.406  -3.866
  134   3HG2  VAL  16          3HG2      VAL  16  -5.723  -1.021  -3.323
  135    H    PHE  17           H        PHE  17  -6.033   2.851  -5.769
  136    HA   PHE  17           HA       PHE  17  -3.743   4.421  -4.765
  137   1HB   PHE  17          2HB       PHE  17  -6.039   5.096  -6.552
  138   2HB   PHE  17          1HB       PHE  17  -5.441   6.351  -5.471
  139    HD1  PHE  17           1HD      PHE  17  -5.212   5.165  -8.669
  140    HD2  PHE  17           2HD      PHE  17  -2.725   6.384  -5.447
  141    HE1  PHE  17           1HE      PHE  17  -3.406   5.654 -10.256
  142    HE2  PHE  17           2HE      PHE  17  -0.910   6.876  -7.024
  143    HZ   PHE  17           HZ       PHE  17  -1.245   6.514  -9.439
  144    H    ALA  18           H        ALA  18  -3.943   5.412  -2.782
  145    HA   ALA  18           HA       ALA  18  -6.506   5.018  -1.391
  146   1HB   ALA  18          1HB       ALA  18  -4.664   5.456   0.595
  147   2HB   ALA  18          2HB       ALA  18  -3.744   4.534  -0.594
  148   3HB   ALA  18          3HB       ALA  18  -5.245   3.879   0.060
  149    H    LYS  19           H        LYS  19  -7.624   6.765  -0.912
  150    HA   LYS  19           HA       LYS  19  -6.354   9.377  -1.091
  151   1HB   LYS  19          2HB       LYS  19  -8.444   9.059  -2.306
  152   2HB   LYS  19          1HB       LYS  19  -9.260   8.585  -0.823
  153   1HG   LYS  19          2HG       LYS  19  -9.884  10.818  -1.258
  154   2HG   LYS  19          1HG       LYS  19  -8.728  10.873   0.074
  155   1HD   LYS  19          2HD       LYS  19  -6.945  11.443  -1.516
  156   2HD   LYS  19          1HD       LYS  19  -8.122  11.417  -2.832
  157   1HE   LYS  19          2HE       LYS  19  -8.049  13.295  -0.475
  158   2HE   LYS  19          1HE       LYS  19  -7.770  13.696  -2.169
  159   1HZ   LYS  19          1HZ       LYS  19 -10.266  13.288  -0.748
  160   2HZ   LYS  19          2HZ       LYS  19 -10.202  12.622  -2.301
  161   3HZ   LYS  19          3HZ       LYS  19  -9.925  14.275  -2.080
  162    H    MET  20           H        MET  20  -5.877  10.609   0.597
  163    HA   MET  20           HA       MET  20  -7.029   9.922   3.216
  164   1HB   MET  20          2HB       MET  20  -4.203  10.077   2.400
  165   2HB   MET  20          1HB       MET  20  -4.586  10.936   3.887
  166   1HG   MET  20          2HG       MET  20  -5.691   8.805   4.675
  167   2HG   MET  20          1HG       MET  20  -4.938   8.018   3.290
  168   1HE   MET  20          1HE       MET  20  -2.580   8.959   2.702
  169   2HE   MET  20          2HE       MET  20  -1.714   7.645   3.499
  170   3HE   MET  20          3HE       MET  20  -1.316   9.321   3.877
  171    H    LYS  21           H        LYS  21  -7.309  11.657   4.671
  172    HA   LYS  21           HA       LYS  21  -8.056  14.103   3.474
  173   1HB   LYS  21          2HB       LYS  21  -8.693  12.886   5.790
  174   2HB   LYS  21          1HB       LYS  21  -7.530  14.060   6.392
  175   1HG   LYS  21          2HG       LYS  21  -8.948  15.761   6.148
  176   2HG   LYS  21          1HG       LYS  21  -9.470  15.215   4.553
  177   1HD   LYS  21          2HD       LYS  21 -10.381  13.877   7.088
  178   2HD   LYS  21          1HD       LYS  21 -11.231  15.259   6.393
  179   1HE   LYS  21          2HE       LYS  21 -10.598  12.901   4.675
  180   2HE   LYS  21          1HE       LYS  21 -11.955  12.814   5.798
  181   1HZ   LYS  21          1HZ       LYS  21 -12.481  15.130   4.669
  182   2HZ   LYS  21          2HZ       LYS  21 -13.017  13.669   4.008
  183   3HZ   LYS  21          3HZ       LYS  21 -11.637  14.422   3.384
  184    H    GLY  22           H        GLY  22  -6.872  15.825   2.961
  185   1HA   GLY  22          2HA       GLY  22  -5.286  17.518   3.340
  186   2HA   GLY  22          1HA       GLY  22  -4.518  16.499   4.546
  187    H    TYR  23           H        TYR  23  -4.999  14.535   1.955
  188    HA   TYR  23           HA       TYR  23  -2.655  15.393   0.446
  189   1HB   TYR  23          2HB       TYR  23  -2.683  12.536   1.345
  190   2HB   TYR  23          1HB       TYR  23  -1.322  13.541   0.862
  191    HD1  TYR  23           1HD      TYR  23  -0.751  15.518   2.485
  192    HD2  TYR  23           2HD      TYR  23  -3.018  12.096   3.596
  193    HE1  TYR  23           1HE      TYR  23  -0.221  15.942   4.848
  194    HE2  TYR  23           2HE      TYR  23  -2.497  12.510   5.962
  195    HH   TYR  23           HH       TYR  23  -0.170  14.899   6.945
  196    HA   PRO  24           HA       PRO  24  -4.992  13.595  -2.844
  197   1HB   PRO  24          2HB       PRO  24  -3.143  13.427  -4.765
  198   2HB   PRO  24          1HB       PRO  24  -3.665  14.995  -4.134
  199   1HG   PRO  24          2HG       PRO  24  -1.197  13.426  -3.507
  200   2HG   PRO  24          1HG       PRO  24  -1.379  15.170  -3.767
  201   1HD   PRO  24          2HD       PRO  24  -1.243  13.959  -1.288
  202   2HD   PRO  24          1HD       PRO  24  -1.979  15.544  -1.596
  203    H    HIS  25           H        HIS  25  -5.147  11.728  -4.301
  204    HA   HIS  25           HA       HIS  25  -4.854   9.279  -3.092
  205   1HB   HIS  25          2HB       HIS  25  -4.785   9.851  -6.066
  206   2HB   HIS  25          1HB       HIS  25  -5.137   8.290  -5.333
  207    HD1  HIS  25           1HD      HIS  25  -6.597  11.744  -5.718
  208    HD2  HIS  25           2HD      HIS  25  -7.741   7.939  -4.503
  209    HE1  HIS  25           1HE      HIS  25  -9.094  11.849  -5.440
  210    HE2  HIS  25           2HE      HIS  25  -9.749   9.565  -4.603
  211    H    TRP  26           H        TRP  26  -3.057   8.260  -2.427
  212    HA   TRP  26           HA       TRP  26  -0.522   8.764  -3.806
  213   1HB   TRP  26          2HB       TRP  26  -0.978   8.915  -1.213
  214   2HB   TRP  26          1HB       TRP  26  -0.725   7.176  -1.280
  215    HD1  TRP  26           HD       TRP  26   1.765   6.427  -2.377
  216    HE1  TRP  26           1HE      TRP  26   4.056   7.557  -1.989
  217    HE3  TRP  26           3HE      TRP  26   0.176  11.023  -0.788
  218    HZ2  TRP  26           2HZ      TRP  26   5.041  10.051  -1.139
  219    HZ3  TRP  26           3HZ      TRP  26   1.844  12.716  -0.211
  220    HH2  TRP  26           HH       TRP  26   4.218  12.241  -0.383
  221    HA   PRO  27           HA       PRO  27  -0.669   4.830  -5.900
  222   1HB   PRO  27          2HB       PRO  27   2.285   4.923  -5.596
  223   2HB   PRO  27          1HB       PRO  27   1.312   4.730  -7.056
  224   1HG   PRO  27          2HG       PRO  27   2.567   7.032  -6.504
  225   2HG   PRO  27          1HG       PRO  27   0.986   7.002  -7.301
  226   1HD   PRO  27          2HD       PRO  27   1.679   7.673  -4.482
  227   2HD   PRO  27          1HD       PRO  27   0.404   8.338  -5.521
  228    H    ALA  28           H        ALA  28  -1.216   3.046  -4.812
  229    HA   ALA  28           HA       ALA  28   0.650   2.000  -2.814
  230   1HB   ALA  28          1HB       ALA  28  -0.661   2.374  -1.065
  231   2HB   ALA  28          2HB       ALA  28  -2.066   1.703  -1.894
  232   3HB   ALA  28          3HB       ALA  28  -1.638   3.398  -2.116
  233    H    ARG  29           H        ARG  29  -0.215  -0.168  -1.954
  234    HA   ARG  29           HA       ARG  29  -1.613  -1.707  -4.011
  235   1HB   ARG  29          2HB       ARG  29   0.868  -1.832  -4.406
  236   2HB   ARG  29          1HB       ARG  29   1.022  -2.592  -2.828
  237   1HG   ARG  29          2HG       ARG  29  -0.423  -4.426  -3.593
  238   2HG   ARG  29          1HG       ARG  29  -0.507  -3.672  -5.186
  239   1HD   ARG  29          2HD       ARG  29   1.767  -4.050  -5.610
  240   2HD   ARG  29          1HD       ARG  29   2.123  -4.354  -3.910
  241    HE   ARG  29           HE       ARG  29   0.431  -6.343  -4.492
  242   1HH1  ARG  29          1HH1      ARG  29   3.304  -5.193  -6.085
  243   2HH1  ARG  29          2HH1      ARG  29   3.693  -6.731  -6.775
  244   1HH2  ARG  29          1HH2      ARG  29   0.953  -8.383  -5.381
  245   2HH2  ARG  29          2HH2      ARG  29   2.367  -8.543  -6.367
  246    H    ILE  30           H        ILE  30  -2.455  -3.750  -3.223
  247    HA   ILE  30           HA       ILE  30  -3.260  -3.611  -0.455
  248    HB   ILE  30           HB       ILE  30  -3.760  -5.872  -2.392
  249   1HG1  ILE  30          2HG1      ILE  30  -4.489  -3.648  -3.291
  250   2HG1  ILE  30          1HG1      ILE  30  -5.807  -4.789  -3.043
  251   1HG2  ILE  30          1HG2      ILE  30  -4.259  -6.525  -0.166
  252   2HG2  ILE  30          2HG2      ILE  30  -5.798  -6.162  -0.947
  253   3HG2  ILE  30          3HG2      ILE  30  -5.080  -4.999   0.167
  254   1HD1  ILE  30          1HD1      ILE  30  -6.455  -2.580  -2.327
  255   2HD1  ILE  30          2HD1      ILE  30  -5.070  -2.498  -1.238
  256   3HD1  ILE  30          3HD1      ILE  30  -6.361  -3.661  -0.938
  257    H    ASP  31           H        ASP  31  -2.555  -4.890   1.227
  258    HA   ASP  31           HA       ASP  31  -0.412  -6.804   0.597
  259   1HB   ASP  31          2HB       ASP  31  -0.013  -4.456   1.893
  260   2HB   ASP  31          1HB       ASP  31  -0.330  -5.526   3.255
  261    H    GLU  32           H        GLU  32  -3.324  -6.201   2.390
  262    HA   GLU  32           HA       GLU  32  -3.547  -8.974   3.041
  263   1HB   GLU  32          2HB       GLU  32  -2.127  -7.531   4.884
  264   2HB   GLU  32          1HB       GLU  32  -3.757  -7.441   5.535
  265   1HG   GLU  32          2HG       GLU  32  -3.633 -10.063   4.972
  266   2HG   GLU  32          1HG       GLU  32  -1.932  -9.738   5.298
  267    H    MET  33           H        MET  33  -5.609  -9.554   3.867
  268    HA   MET  33           HA       MET  33  -7.663  -7.588   3.222
  269   1HB   MET  33          2HB       MET  33  -7.991 -10.521   3.871
  270   2HB   MET  33          1HB       MET  33  -9.206  -9.454   3.179
  271   1HG   MET  33          2HG       MET  33  -6.652  -9.757   1.711
  272   2HG   MET  33          1HG       MET  33  -7.768 -11.121   1.709
  273   1HE   MET  33          1HE       MET  33  -6.888  -8.246  -0.707
  274   2HE   MET  33          2HE       MET  33  -6.990  -7.599   0.930
  275   3HE   MET  33          3HE       MET  33  -8.146  -7.080  -0.296
  276    HA   PRO  34           HA       PRO  34  -8.759  -6.944   7.460
  277   1HB   PRO  34          2HB       PRO  34 -11.552  -6.551   6.838
  278   2HB   PRO  34          1HB       PRO  34 -10.321  -5.333   7.173
  279   1HG   PRO  34          2HG       PRO  34 -11.499  -5.676   4.725
  280   2HG   PRO  34          1HG       PRO  34  -9.883  -4.985   4.958
  281   1HD   PRO  34          2HD       PRO  34 -10.661  -7.767   4.163
  282   2HD   PRO  34          1HD       PRO  34  -9.341  -6.747   3.553
  283    H    GLU  35           H        GLU  35  -9.176  -8.273   9.114
  284    HA   GLU  35           HA       GLU  35 -10.291 -10.838   8.714
  285   1HB   GLU  35          2HB       GLU  35  -8.972  -9.421  10.842
  286   2HB   GLU  35          1HB       GLU  35 -10.363 -10.291  11.471
  287   1HG   GLU  35          2HG       GLU  35  -8.435 -11.687  11.638
  288   2HG   GLU  35          1HG       GLU  35  -9.515 -12.348  10.412
  289    H    ALA  36           H        ALA  36 -11.484  -8.796  11.299
  290    HA   ALA  36           HA       ALA  36 -14.059  -8.329  10.260
  291   1HB   ALA  36          1HB       ALA  36 -13.618 -10.934  11.503
  292   2HB   ALA  36          2HB       ALA  36 -14.946 -10.374  10.486
  293   3HB   ALA  36          3HB       ALA  36 -14.954 -10.032  12.216
  294    H    ALA  37           H        ALA  37 -12.487  -9.236  13.300
  295    HA   ALA  37           HA       ALA  37 -12.608  -6.631  14.404
  296   1HB   ALA  37          1HB       ALA  37 -14.258  -6.926  16.117
  297   2HB   ALA  37          2HB       ALA  37 -14.529  -8.601  15.638
  298   3HB   ALA  37          3HB       ALA  37 -15.015  -7.288  14.566
  299    H    VAL  38           H        VAL  38 -10.403  -7.775  14.297
  300    HA   VAL  38           HA       VAL  38  -9.809  -8.760  16.975
  301    HB   VAL  38           HB       VAL  38  -8.339 -10.571  15.970
  302   1HG1  VAL  38          1HG1      VAL  38 -11.078 -11.379  15.282
  303   2HG1  VAL  38          2HG1      VAL  38 -10.893 -10.648  16.875
  304   3HG1  VAL  38          3HG1      VAL  38  -9.945 -12.071  16.443
  305   1HG2  VAL  38          1HG2      VAL  38 -10.114 -10.148  13.564
  306   2HG2  VAL  38          2HG2      VAL  38  -8.887 -11.398  13.762
  307   3HG2  VAL  38          3HG2      VAL  38  -8.409  -9.705  13.653
  308    H    LYS  39           H        LYS  39  -7.533  -8.669  17.488
  309    HA   LYS  39           HA       LYS  39  -5.465  -7.727  17.496
  310   1HB   LYS  39          2HB       LYS  39  -5.563  -6.993  14.609
  311   2HB   LYS  39          1HB       LYS  39  -4.244  -7.671  15.549
  312   1HG   LYS  39          2HG       LYS  39  -5.528  -9.838  15.581
  313   2HG   LYS  39          1HG       LYS  39  -6.620  -9.111  14.401
  314   1HD   LYS  39          2HD       LYS  39  -5.172 -10.085  12.950
  315   2HD   LYS  39          1HD       LYS  39  -4.304  -8.569  13.198
  316   1HE   LYS  39          2HE       LYS  39  -3.181  -9.852  15.165
  317   2HE   LYS  39          1HE       LYS  39  -3.729 -11.288  14.299
  318   1HZ   LYS  39          1HZ       LYS  39  -1.435 -10.533  13.743
  319   2HZ   LYS  39          2HZ       LYS  39  -2.106  -9.148  13.041
  320   3HZ   LYS  39          3HZ       LYS  39  -2.464 -10.674  12.407
  321    H    SER  40           H        SER  40  -7.032  -5.840  14.922
  322    HA   SER  40           HA       SER  40  -7.815  -3.641  16.410
  323   1HB   SER  40          2HB       SER  40  -5.078  -3.724  16.476
  324   2HB   SER  40          1HB       SER  40  -5.362  -2.692  15.076
  325    HG   SER  40           HG       SER  40  -6.668  -2.269  17.547
  326    H    THR  41           H        THR  41  -8.720  -5.103  14.217
  327    HA   THR  41           HA       THR  41  -8.902  -2.982  12.192
  328    HB   THR  41           HB       THR  41  -7.324  -4.496  11.236
  329    HG1  THR  41           1HG      THR  41  -8.359  -4.569   9.422
  330   1HG2  THR  41          1HG2      THR  41  -7.790  -6.446  12.683
  331   2HG2  THR  41          2HG2      THR  41  -7.646  -6.849  10.973
  332   3HG2  THR  41          3HG2      THR  41  -9.237  -6.761  11.728
  333    H    ALA  42           H        ALA  42 -10.955  -2.386  12.292
  334    HA   ALA  42           HA       ALA  42 -13.069  -4.198  13.011
  335   1HB   ALA  42          1HB       ALA  42 -13.056  -1.759  13.582
  336   2HB   ALA  42          2HB       ALA  42 -14.534  -2.317  12.800
  337   3HB   ALA  42          3HB       ALA  42 -13.333  -1.417  11.875
  338    H    ASN  43           H        ASN  43 -12.567  -2.168  10.152
  339    HA   ASN  43           HA       ASN  43 -13.103  -4.344   8.357
  340   1HB   ASN  43          2HB       ASN  43 -15.301  -2.860   9.230
  341   2HB   ASN  43          1HB       ASN  43 -14.914  -2.177   7.654
  342   1HD2  ASN  43          1HD2      ASN  43 -15.048  -5.393   9.155
  343   2HD2  ASN  43          2HD2      ASN  43 -15.920  -6.144   7.865
  344    H    LYS  44           H        LYS  44 -10.794  -3.199   8.455
  345    HA   LYS  44           HA       LYS  44 -10.762  -1.358   6.159
  346   1HB   LYS  44          2HB       LYS  44  -8.750  -1.080   8.361
  347   2HB   LYS  44          1HB       LYS  44  -9.254   0.104   7.164
  348   1HG   LYS  44          2HG       LYS  44 -11.083   0.746   8.362
  349   2HG   LYS  44          1HG       LYS  44 -11.281  -0.835   9.123
  350   1HD   LYS  44          2HD       LYS  44  -8.855  -0.007  10.096
  351   2HD   LYS  44          1HD       LYS  44  -9.759   1.504  10.004
  352   1HE   LYS  44          2HE       LYS  44 -11.215  -0.793  11.135
  353   2HE   LYS  44          1HE       LYS  44  -9.865  -0.198  12.098
  354   1HZ   LYS  44          1HZ       LYS  44 -10.853   1.857  12.367
  355   2HZ   LYS  44          2HZ       LYS  44 -12.182   0.814  12.452
  356   3HZ   LYS  44          3HZ       LYS  44 -11.873   1.676  11.030
  357    H    TYR  45           H        TYR  45  -8.960  -1.458   4.815
  358    HA   TYR  45           HA       TYR  45  -7.584  -4.044   4.860
  359   1HB   TYR  45          2HB       TYR  45  -7.775  -1.914   2.713
  360   2HB   TYR  45          1HB       TYR  45  -6.928  -3.448   2.535
  361    HD1  TYR  45           1HD      TYR  45  -8.087  -5.387   1.888
  362    HD2  TYR  45           2HD      TYR  45 -10.276  -1.962   3.142
  363    HE1  TYR  45           1HE      TYR  45 -10.174  -6.461   1.155
  364    HE2  TYR  45           2HE      TYR  45 -12.369  -3.026   2.412
  365    HH   TYR  45           HH       TYR  45 -12.460  -5.746   0.440
  366    H    GLN  46           H        GLN  46  -5.288  -4.155   4.373
  367    HA   GLN  46           HA       GLN  46  -3.808  -1.957   5.632
  368   1HB   GLN  46          2HB       GLN  46  -3.647  -4.670   6.027
  369   2HB   GLN  46          1HB       GLN  46  -2.331  -4.396   4.893
  370   1HG   GLN  46          2HG       GLN  46  -1.749  -2.445   6.559
  371   2HG   GLN  46          1HG       GLN  46  -2.658  -3.450   7.688
  372   1HE2  GLN  46          1HE2      GLN  46   0.063  -3.432   5.459
  373   2HE2  GLN  46          2HE2      GLN  46   0.960  -4.677   6.253
  374    H    VAL  47           H        VAL  47  -3.256  -0.471   4.181
  375    HA   VAL  47           HA       VAL  47  -2.407  -1.318   1.512
  376    HB   VAL  47           HB       VAL  47  -3.202   1.419   2.512
  377   1HG1  VAL  47          1HG1      VAL  47  -1.939   0.514   0.039
  378   2HG1  VAL  47          2HG1      VAL  47  -2.056   2.135   0.729
  379   3HG1  VAL  47          3HG1      VAL  47  -3.395   1.478  -0.213
  380   1HG2  VAL  47          1HG2      VAL  47  -4.822   0.085   0.461
  381   2HG2  VAL  47          2HG2      VAL  47  -5.317   1.010   1.879
  382   3HG2  VAL  47          3HG2      VAL  47  -4.857  -0.685   2.048
  383    H    PHE  48           H        PHE  48  -0.508  -0.749   0.614
  384    HA   PHE  48           HA       PHE  48   1.551   0.335   2.424
  385   1HB   PHE  48          2HB       PHE  48   1.955  -1.959   1.563
  386   2HB   PHE  48          1HB       PHE  48   1.901  -1.333  -0.083
  387    HD1  PHE  48           1HD      PHE  48   3.976  -1.240  -1.048
  388    HD2  PHE  48           2HD      PHE  48   3.588  -0.291   3.082
  389    HE1  PHE  48           1HE      PHE  48   6.386  -0.744  -0.940
  390    HE2  PHE  48           2HE      PHE  48   5.995   0.206   3.199
  391    HZ   PHE  48           HZ       PHE  48   7.397  -0.020   1.187
  392    H    PHE  49           H        PHE  49   2.276   2.313   1.999
  393    HA   PHE  49           HA       PHE  49   1.572   3.587  -0.536
  394   1HB   PHE  49          2HB       PHE  49   2.654   4.771   2.030
  395   2HB   PHE  49          1HB       PHE  49   2.181   5.691   0.603
  396    HD1  PHE  49           1HD      PHE  49   1.077   4.151   3.630
  397    HD2  PHE  49           2HD      PHE  49  -0.227   5.547  -0.169
  398    HE1  PHE  49           1HE      PHE  49  -1.236   4.197   4.445
  399    HE2  PHE  49           2HE      PHE  49  -2.547   5.605   0.644
  400    HZ   PHE  49           HZ       PHE  49  -3.055   4.926   2.955
  401    H    PHE  50           H        PHE  50   3.041   3.320  -2.108
  402    HA   PHE  50           HA       PHE  50   5.733   2.663  -1.781
  403   1HB   PHE  50          2HB       PHE  50   4.232   3.925  -4.076
  404   2HB   PHE  50          1HB       PHE  50   5.947   3.544  -4.181
  405    HD1  PHE  50           1HD      PHE  50   2.718   2.358  -4.794
  406    HD2  PHE  50           2HD      PHE  50   6.562   1.078  -3.490
  407    HE1  PHE  50           1HE      PHE  50   2.156   0.043  -5.412
  408    HE2  PHE  50           2HE      PHE  50   6.010  -1.236  -4.117
  409    HZ   PHE  50           HZ       PHE  50   3.803  -1.755  -5.079
  410    H    GLY  51           H        GLY  51   7.468   4.195  -2.961
  411   1HA   GLY  51          2HA       GLY  51   8.730   6.118  -2.853
  412   2HA   GLY  51          1HA       GLY  51   7.252   6.991  -2.475
  413    H    THR  52           H        THR  52   6.418   6.417  -0.166
  414    HA   THR  52           HA       THR  52   8.624   6.994   1.654
  415    HB   THR  52           HB       THR  52   6.869   7.588   3.258
  416    HG1  THR  52           1HG      THR  52   5.052   6.869   1.204
  417   1HG2  THR  52          1HG2      THR  52   7.569   9.208   1.417
  418   2HG2  THR  52          2HG2      THR  52   6.064   9.535   2.275
  419   3HG2  THR  52          3HG2      THR  52   6.024   8.815   0.665
  420    H    HIS  53           H        HIS  53   6.483   4.440   0.782
  421    HA   HIS  53           HA       HIS  53   6.297   2.277   1.469
  422   1HB   HIS  53          2HB       HIS  53   8.782   2.854   3.104
  423   2HB   HIS  53          1HB       HIS  53   8.149   1.263   2.694
  424    HD1  HIS  53           1HD      HIS  53  10.987   2.695   1.890
  425    HD2  HIS  53           2HD      HIS  53   7.732   1.858  -0.553
  426    HE1  HIS  53           1HE      HIS  53  11.912   2.575  -0.445
  427    HE2  HIS  53           2HE      HIS  53   9.910   2.157  -1.916
  428    H    GLU  54           H        GLU  54   4.903   4.352   2.815
  429    HA   GLU  54           HA       GLU  54   4.940   3.640   5.642
  430   1HB   GLU  54          2HB       GLU  54   3.134   5.591   4.202
  431   2HB   GLU  54          1HB       GLU  54   3.370   5.460   5.939
  432   1HG   GLU  54          2HG       GLU  54   5.497   6.392   5.849
  433   2HG   GLU  54          1HG       GLU  54   5.673   6.068   4.125
  434    H    THR  55           H        THR  55   3.032   2.898   6.762
  435    HA   THR  55           HA       THR  55   1.117   1.536   4.997
  436    HB   THR  55           HB       THR  55   1.120  -0.008   7.265
  437    HG1  THR  55           1HG      THR  55   3.011   0.009   8.161
  438   1HG2  THR  55          1HG2      THR  55   1.298  -1.470   5.616
  439   2HG2  THR  55          2HG2      THR  55   3.043  -1.222   5.690
  440   3HG2  THR  55          3HG2      THR  55   2.066  -0.290   4.555
  441    H    ALA  56           H        ALA  56  -0.976   1.526   5.534
  442    HA   ALA  56           HA       ALA  56  -1.870   2.539   8.098
  443   1HB   ALA  56          1HB       ALA  56  -2.709   4.557   7.468
  444   2HB   ALA  56          2HB       ALA  56  -2.969   4.051   5.798
  445   3HB   ALA  56          3HB       ALA  56  -1.345   4.459   6.352
  446    H    PHE  57           H        PHE  57  -4.309   2.595   8.208
  447    HA   PHE  57           HA       PHE  57  -5.375   0.363   6.622
  448   1HB   PHE  57          2HB       PHE  57  -6.196   1.416   9.336
  449   2HB   PHE  57          1HB       PHE  57  -7.032   0.127   8.474
  450    HD1  PHE  57           1HD      PHE  57  -6.333  -2.081   8.684
  451    HD2  PHE  57           2HD      PHE  57  -3.737   1.063   9.901
  452    HE1  PHE  57           1HE      PHE  57  -4.794  -3.735   9.658
  453    HE2  PHE  57           2HE      PHE  57  -2.193  -0.585  10.878
  454    HZ   PHE  57           HZ       PHE  57  -2.721  -2.987  10.757
  455    H    LEU  58           H        LEU  58  -6.912   0.773   5.173
  456    HA   LEU  58           HA       LEU  58  -8.671   3.079   5.573
  457   1HB   LEU  58          2HB       LEU  58  -6.876   2.563   3.241
  458   2HB   LEU  58          1HB       LEU  58  -8.418   3.353   2.972
  459    HG   LEU  58           HG       LEU  58  -6.645   4.462   5.091
  460   1HD1  LEU  58          1HD1      LEU  58  -6.219   5.341   2.275
  461   2HD1  LEU  58          2HD1      LEU  58  -5.347   3.934   2.883
  462   3HD1  LEU  58          3HD1      LEU  58  -5.163   5.497   3.678
  463   1HD2  LEU  58          1HD2      LEU  58  -9.002   5.249   4.422
  464   2HD2  LEU  58          2HD2      LEU  58  -8.210   5.934   3.003
  465   3HD2  LEU  58          3HD2      LEU  58  -7.737   6.462   4.617
  466    H    GLY  59           H        GLY  59 -10.618   3.007   4.215
  467   1HA   GLY  59          2HA       GLY  59 -11.532   0.245   3.945
  468   2HA   GLY  59          1HA       GLY  59 -12.549   1.677   3.971
  469    HA   PRO  60           HA       PRO  60 -11.912   0.060  -0.434
  470   1HB   PRO  60          2HB       PRO  60 -14.551  -0.375  -0.968
  471   2HB   PRO  60          1HB       PRO  60 -13.471  -1.614  -0.319
  472   1HG   PRO  60          2HG       PRO  60 -15.441   0.123   1.114
  473   2HG   PRO  60          1HG       PRO  60 -15.108  -1.606   1.329
  474   1HD   PRO  60          2HD       PRO  60 -14.124   0.265   3.006
  475   2HD   PRO  60          1HD       PRO  60 -13.224  -1.212   2.607
  476    H    LYS  61           H        LYS  61 -14.059   2.333   1.144
  477    HA   LYS  61           HA       LYS  61 -14.871   3.723  -1.195
  478   1HB   LYS  61          2HB       LYS  61 -14.699   4.852   1.599
  479   2HB   LYS  61          1HB       LYS  61 -15.746   5.386   0.291
  480   1HG   LYS  61          2HG       LYS  61 -16.102   2.577   1.001
  481   2HG   LYS  61          1HG       LYS  61 -16.462   3.699   2.314
  482   1HD   LYS  61          2HD       LYS  61 -18.250   4.601   1.235
  483   2HD   LYS  61          1HD       LYS  61 -17.538   4.372  -0.363
  484   1HE   LYS  61          2HE       LYS  61 -18.753   2.227   1.377
  485   2HE   LYS  61          1HE       LYS  61 -19.483   2.936  -0.063
  486   1HZ   LYS  61          1HZ       LYS  61 -17.122   2.111  -1.013
  487   2HZ   LYS  61          2HZ       LYS  61 -18.540   1.190  -1.074
  488   3HZ   LYS  61          3HZ       LYS  61 -17.414   0.926   0.159
  489    H    ASP  62           H        ASP  62 -12.029   3.791   0.777
  490    HA   ASP  62           HA       ASP  62 -11.127   6.289  -0.459
  491   1HB   ASP  62          2HB       ASP  62 -10.424   4.805   2.013
  492   2HB   ASP  62          1HB       ASP  62  -9.113   5.672   1.217
  493    H    LEU  63           H        LEU  63 -11.141   3.219  -1.392
  494    HA   LEU  63           HA       LEU  63  -8.402   3.307  -2.471
  495   1HB   LEU  63          2HB       LEU  63 -10.181   0.936  -1.903
  496   2HB   LEU  63          1HB       LEU  63  -8.658   0.835  -2.764
  497    HG   LEU  63           HG       LEU  63  -8.808   1.949   0.023
  498   1HD1  LEU  63          1HD1      LEU  63  -8.180  -0.915  -0.625
  499   2HD1  LEU  63          2HD1      LEU  63  -9.794  -0.382  -0.157
  500   3HD1  LEU  63          3HD1      LEU  63  -8.441  -0.177   0.956
  501   1HD2  LEU  63          1HD2      LEU  63  -6.792   2.321  -1.422
  502   2HD2  LEU  63          2HD2      LEU  63  -6.556   0.573  -1.426
  503   3HD2  LEU  63          3HD2      LEU  63  -6.478   1.469   0.091
  504    H    PHE  64           H        PHE  64  -8.108   3.148  -4.646
  505    HA   PHE  64           HA       PHE  64 -10.458   2.659  -6.342
  506   1HB   PHE  64          2HB       PHE  64  -8.497   4.908  -6.842
  507   2HB   PHE  64          1HB       PHE  64  -9.975   4.566  -7.732
  508    HD1  PHE  64           1HD      PHE  64 -11.809   5.856  -7.271
  509    HD2  PHE  64           2HD      PHE  64  -8.887   5.282  -4.231
  510    HE1  PHE  64           1HE      PHE  64 -13.054   7.378  -5.791
  511    HE2  PHE  64           2HE      PHE  64 -10.126   6.800  -2.746
  512    HZ   PHE  64           HZ       PHE  64 -12.212   7.852  -3.525
  513    HA   PRO  65           HA       PRO  65  -7.696   0.234  -8.783
  514   1HB   PRO  65          2HB       PRO  65  -8.871   1.163 -11.282
  515   2HB   PRO  65          1HB       PRO  65  -9.008  -0.415 -10.512
  516   1HG   PRO  65          2HG       PRO  65 -11.087   1.318 -10.696
  517   2HG   PRO  65          1HG       PRO  65 -10.907   0.163  -9.364
  518   1HD   PRO  65          2HD       PRO  65 -10.295   3.092  -9.429
  519   2HD   PRO  65          1HD       PRO  65 -11.037   2.123  -8.139
  520    H    TYR  66           H        TYR  66  -5.631   0.844  -8.924
  521    HA   TYR  66           HA       TYR  66  -4.610   3.320  -9.547
  522   1HB   TYR  66          2HB       TYR  66  -3.239   1.629  -8.509
  523   2HB   TYR  66          1HB       TYR  66  -3.349   0.599  -9.933
  524    HD1  TYR  66           1HD      TYR  66  -1.856   3.665  -8.550
  525    HD2  TYR  66           2HD      TYR  66  -1.973   0.997 -11.861
  526    HE1  TYR  66           1HE      TYR  66   0.170   4.717  -9.462
  527    HE2  TYR  66           2HE      TYR  66   0.054   2.040 -12.783
  528    HH   TYR  66           HH       TYR  66   1.374   4.965 -11.474
  529    H    GLU  67           H        GLU  67  -4.643   0.533 -11.777
  530    HA   GLU  67           HA       GLU  67  -3.647   1.740 -14.027
  531   1HB   GLU  67          2HB       GLU  67  -5.419  -0.558 -13.512
  532   2HB   GLU  67          1HB       GLU  67  -5.505   0.093 -15.141
  533   1HG   GLU  67          2HG       GLU  67  -3.412  -0.572 -15.673
  534   2HG   GLU  67          1HG       GLU  67  -2.806  -0.354 -14.032
  535    H    GLU  68           H        GLU  68  -7.008   1.742 -12.952
  536    HA   GLU  68           HA       GLU  68  -8.005   3.164 -15.194
  537   1HB   GLU  68          2HB       GLU  68  -9.073   2.093 -12.700
  538   2HB   GLU  68          1HB       GLU  68  -9.849   3.588 -13.194
  539   1HG   GLU  68          2HG       GLU  68 -10.302   2.585 -15.399
  540   2HG   GLU  68          1HG       GLU  68  -9.598   1.073 -14.827
  541    H    SER  69           H        SER  69  -6.938   4.183 -11.973
  542    HA   SER  69           HA       SER  69  -7.571   6.953 -12.721
  543   1HB   SER  69          2HB       SER  69  -6.911   5.765 -10.022
  544   2HB   SER  69          1HB       SER  69  -7.266   7.467 -10.317
  545    HG   SER  69           HG       SER  69  -9.024   5.315 -10.898
  546    H    LYS  70           H        LYS  70  -5.032   5.105 -13.250
  547    HA   LYS  70           HA       LYS  70  -2.845   6.287 -12.016
  548   1HB   LYS  70          2HB       LYS  70  -1.495   5.337 -13.739
  549   2HB   LYS  70          1HB       LYS  70  -2.810   4.219 -13.416
  550   1HG   LYS  70          2HG       LYS  70  -3.946   4.872 -15.414
  551   2HG   LYS  70          1HG       LYS  70  -2.802   6.186 -15.693
  552   1HD   LYS  70          2HD       LYS  70  -1.625   4.770 -16.944
  553   2HD   LYS  70          1HD       LYS  70  -1.214   3.917 -15.455
  554   1HE   LYS  70          2HE       LYS  70  -2.096   2.355 -17.073
  555   2HE   LYS  70          1HE       LYS  70  -3.222   2.522 -15.728
  556   1HZ   LYS  70          1HZ       LYS  70  -3.731   2.892 -18.441
  557   2HZ   LYS  70          2HZ       LYS  70  -3.872   4.410 -17.708
  558   3HZ   LYS  70          3HZ       LYS  70  -4.798   3.111 -17.146
  559    H    GLU  71           H        GLU  71  -4.478   7.251 -15.017
  560    HA   GLU  71           HA       GLU  71  -2.686   9.348 -15.640
  561   1HB   GLU  71          2HB       GLU  71  -5.556   8.964 -16.497
  562   2HB   GLU  71          1HB       GLU  71  -4.410  10.076 -17.234
  563   1HG   GLU  71          2HG       GLU  71  -3.217   7.511 -17.201
  564   2HG   GLU  71          1HG       GLU  71  -4.862   7.334 -17.810
  565    H    LYS  72           H        LYS  72  -5.627   9.237 -13.707
  566    HA   LYS  72           HA       LYS  72  -5.754  12.115 -13.470
  567   1HB   LYS  72          2HB       LYS  72  -7.684  11.718 -12.036
  568   2HB   LYS  72          1HB       LYS  72  -7.812  10.795 -13.527
  569   1HG   LYS  72          2HG       LYS  72  -7.078   8.788 -12.353
  570   2HG   LYS  72          1HG       LYS  72  -6.944   9.710 -10.857
  571   1HD   LYS  72          2HD       LYS  72  -9.034   8.843 -10.568
  572   2HD   LYS  72          1HD       LYS  72  -9.456  10.318 -11.439
  573   1HE   LYS  72          2HE       LYS  72  -8.949   8.543 -13.470
  574   2HE   LYS  72          1HE       LYS  72  -9.699   7.519 -12.247
  575   1HZ   LYS  72          1HZ       LYS  72 -11.099   9.981 -12.537
  576   2HZ   LYS  72          2HZ       LYS  72 -11.675   8.397 -12.681
  577   3HZ   LYS  72          3HZ       LYS  72 -10.988   9.171 -14.018
  578    H    PHE  73           H        PHE  73  -4.935   9.400 -11.323
  579    HA   PHE  73           HA       PHE  73  -4.171  11.301  -9.238
  580   1HB   PHE  73          2HB       PHE  73  -4.291   8.281  -9.184
  581   2HB   PHE  73          1HB       PHE  73  -3.941   9.313  -7.804
  582    HD1  PHE  73           1HD      PHE  73  -6.134   7.269  -7.942
  583    HD2  PHE  73           2HD      PHE  73  -6.097  11.424  -8.866
  584    HE1  PHE  73           1HE      PHE  73  -8.538   7.399  -7.440
  585    HE2  PHE  73           2HE      PHE  73  -8.500  11.561  -8.362
  586    HZ   PHE  73           HZ       PHE  73  -9.724   9.546  -7.648
  587    H    GLY  74           H        GLY  74  -2.649   9.536 -11.740
  588   1HA   GLY  74          2HA       GLY  74  -0.126   9.269 -10.335
  589   2HA   GLY  74          1HA       GLY  74  -0.442   8.828 -12.003
  590    H    LYS  75           H        LYS  75   0.002  11.648  -9.874
  591    HA   LYS  75           HA       LYS  75   1.626  12.893 -11.932
  592   1HB   LYS  75          2HB       LYS  75  -0.976  14.003 -10.933
  593   2HB   LYS  75          1HB       LYS  75   0.311  15.087 -11.440
  594   1HG   LYS  75          2HG       LYS  75   0.157  13.285 -13.515
  595   2HG   LYS  75          1HG       LYS  75  -1.526  13.497 -13.032
  596   1HD   LYS  75          2HD       LYS  75  -0.117  16.026 -13.118
  597   2HD   LYS  75          1HD       LYS  75  -0.030  15.183 -14.664
  598   1HE   LYS  75          2HE       LYS  75  -1.982  16.671 -14.523
  599   2HE   LYS  75          1HE       LYS  75  -2.444  14.981 -14.724
  600   1HZ   LYS  75          1HZ       LYS  75  -2.444  16.491 -12.166
  601   2HZ   LYS  75          2HZ       LYS  75  -2.866  14.863 -12.340
  602   3HZ   LYS  75          3HZ       LYS  75  -3.812  16.063 -13.065
  603    HA   PRO  76           HA       PRO  76   4.034  14.300  -8.524
  604   1HB   PRO  76          2HB       PRO  76   4.673  16.866  -9.246
  605   2HB   PRO  76          1HB       PRO  76   5.445  15.429  -9.923
  606   1HG   PRO  76          2HG       PRO  76   3.236  17.103 -11.050
  607   2HG   PRO  76          1HG       PRO  76   4.643  16.403 -11.873
  608   1HD   PRO  76          2HD       PRO  76   2.202  15.288 -12.045
  609   2HD   PRO  76          1HD       PRO  76   3.678  14.302 -12.003
  610    H    ASN  77           H        ASN  77   3.989  15.510  -6.624
  611    HA   ASN  77           HA       ASN  77   1.801  17.440  -6.321
  612   1HB   ASN  77          2HB       ASN  77   0.982  16.418  -4.296
  613   2HB   ASN  77          1HB       ASN  77   0.976  15.214  -5.579
  614   1HD2  ASN  77          1HD2      ASN  77   0.793  14.244  -3.163
  615   2HD2  ASN  77          2HD2      ASN  77   2.275  13.549  -2.619
  616    H    LYS  78           H        LYS  78   1.955  18.058  -3.713
  617    HA   LYS  78           HA       LYS  78   4.632  19.230  -3.540
  618   1HB   LYS  78          2HB       LYS  78   2.369  20.540  -3.464
  619   2HB   LYS  78          1HB       LYS  78   2.351  20.037  -1.780
  620   1HG   LYS  78          2HG       LYS  78   4.929  21.080  -2.380
  621   2HG   LYS  78          1HG       LYS  78   3.709  22.219  -2.951
  622   1HD   LYS  78          2HD       LYS  78   2.670  22.241  -0.753
  623   2HD   LYS  78          1HD       LYS  78   3.829  21.041  -0.174
  624   1HE   LYS  78          2HE       LYS  78   5.586  22.815  -0.974
  625   2HE   LYS  78          1HE       LYS  78   4.232  23.930  -0.803
  626   1HZ   LYS  78          1HZ       LYS  78   4.245  23.746   1.431
  627   2HZ   LYS  78          2HZ       LYS  78   5.865  23.330   1.187
  628   3HZ   LYS  78          3HZ       LYS  78   4.709  22.119   1.425
  629    H    ARG  79           H        ARG  79   2.822  16.729  -2.112
  630    HA   ARG  79           HA       ARG  79   3.741  16.926   0.549
  631   1HB   ARG  79          2HB       ARG  79   2.503  14.802  -1.118
  632   2HB   ARG  79          1HB       ARG  79   3.332  14.297   0.345
  633   1HG   ARG  79          2HG       ARG  79   1.127  16.343   0.241
  634   2HG   ARG  79          1HG       ARG  79   0.913  14.642   0.662
  635   1HD   ARG  79          2HD       ARG  79   2.722  16.556   2.132
  636   2HD   ARG  79          1HD       ARG  79   1.082  16.152   2.629
  637    HE   ARG  79           HE       ARG  79   2.435  13.756   2.361
  638   1HH1  ARG  79          1HH1      ARG  79   2.695  16.644   4.302
  639   2HH1  ARG  79          2HH1      ARG  79   3.396  15.822   5.656
  640   1HH2  ARG  79          1HH2      ARG  79   3.357  12.672   4.141
  641   2HH2  ARG  79          2HH2      ARG  79   3.772  13.567   5.565
  642    H    LYS  80           H        LYS  80   5.299  16.132  -2.331
  643    HA   LYS  80           HA       LYS  80   7.386  15.434  -2.845
  644   1HB   LYS  80          2HB       LYS  80   7.877  15.990   0.085
  645   2HB   LYS  80          1HB       LYS  80   9.139  15.640  -1.088
  646   1HG   LYS  80          2HG       LYS  80   7.443  18.075  -0.801
  647   2HG   LYS  80          1HG       LYS  80   9.190  17.938  -1.000
  648   1HD   LYS  80          2HD       LYS  80   8.831  17.209  -3.338
  649   2HD   LYS  80          1HD       LYS  80   7.094  17.445  -3.125
  650   1HE   LYS  80          2HE       LYS  80   7.255  19.681  -3.302
  651   2HE   LYS  80          1HE       LYS  80   8.748  19.749  -2.368
  652   1HZ   LYS  80          1HZ       LYS  80   9.676  18.640  -4.560
  653   2HZ   LYS  80          2HZ       LYS  80   9.552  20.318  -4.393
  654   3HZ   LYS  80          3HZ       LYS  80   8.369  19.464  -5.249
  655    H    GLY  81           H        GLY  81   8.449  13.520  -3.047
  656   1HA   GLY  81          2HA       GLY  81   9.060  11.320  -2.457
  657   2HA   GLY  81          1HA       GLY  81   7.969  11.414  -1.079
  658    H    PHE  82           H        PHE  82   5.966  12.601  -3.172
  659    HA   PHE  82           HA       PHE  82   4.402  10.324  -3.523
  660   1HB   PHE  82          2HB       PHE  82   3.543  12.617  -3.639
  661   2HB   PHE  82          1HB       PHE  82   4.431  12.886  -5.133
  662    HD1  PHE  82           1HD      PHE  82   3.827  11.508  -7.154
  663    HD2  PHE  82           2HD      PHE  82   1.419  11.670  -3.653
  664    HE1  PHE  82           1HE      PHE  82   1.907  10.676  -8.444
  665    HE2  PHE  82           2HE      PHE  82  -0.505  10.840  -4.932
  666    HZ   PHE  82           HZ       PHE  82  -0.264  10.336  -7.330
  667    H    SER  83           H        SER  83   6.260  12.087  -6.002
  668    HA   SER  83           HA       SER  83   5.871  10.372  -8.124
  669   1HB   SER  83          2HB       SER  83   8.409  11.186  -8.615
  670   2HB   SER  83          1HB       SER  83   6.986  12.187  -8.897
  671    HG   SER  83           HG       SER  83   7.479  13.392  -7.215
  672    H    GLU  84           H        GLU  84   8.403  10.205  -5.637
  673    HA   GLU  84           HA       GLU  84   9.918   8.120  -6.598
  674   1HB   GLU  84          2HB       GLU  84   9.801   9.527  -4.238
  675   2HB   GLU  84          1HB       GLU  84   9.368   7.902  -3.724
  676   1HG   GLU  84          2HG       GLU  84  11.558   7.557  -5.403
  677   2HG   GLU  84          1HG       GLU  84  11.939   8.984  -4.443
  678    H    GLY  85           H        GLY  85   6.741   8.044  -5.132
  679   1HA   GLY  85          2HA       GLY  85   6.662   5.207  -4.775
  680   2HA   GLY  85          1HA       GLY  85   5.291   6.306  -4.704
  681    H    LEU  86           H        LEU  86   5.795   7.424  -7.347
  682    HA   LEU  86           HA       LEU  86   4.217   5.693  -8.894
  683   1HB   LEU  86          2HB       LEU  86   5.979   8.020  -9.643
  684   2HB   LEU  86          1HB       LEU  86   5.003   7.162 -10.820
  685    HG   LEU  86           HG       LEU  86   3.710   8.316  -8.378
  686   1HD1  LEU  86          1HD1      LEU  86   3.658  10.002 -10.772
  687   2HD1  LEU  86          2HD1      LEU  86   5.226   9.918  -9.969
  688   3HD1  LEU  86          3HD1      LEU  86   3.801  10.444  -9.070
  689   1HD2  LEU  86          1HD2      LEU  86   2.473   8.369 -11.057
  690   2HD2  LEU  86          2HD2      LEU  86   1.771   7.979  -9.487
  691   3HD2  LEU  86          3HD2      LEU  86   2.731   6.775 -10.346
  692    H    TRP  87           H        TRP  87   7.701   6.270  -8.833
  693    HA   TRP  87           HA       TRP  87   8.395   4.590 -10.988
  694   1HB   TRP  87          2HB       TRP  87   9.965   6.226 -10.143
  695   2HB   TRP  87          1HB       TRP  87   9.971   5.470  -8.554
  696    HD1  TRP  87           HD       TRP  87  11.558   5.242 -11.971
  697    HE1  TRP  87           1HE      TRP  87  13.385   3.432 -11.947
  698    HE3  TRP  87           3HE      TRP  87  10.569   3.154  -7.406
  699    HZ2  TRP  87           2HZ      TRP  87  14.283   1.381 -10.224
  700    HZ3  TRP  87           3HZ      TRP  87  11.960   1.272  -6.647
  701    HH2  TRP  87           HH       TRP  87  13.777   0.405  -8.028
  702    H    GLU  88           H        GLU  88   8.178   3.968  -7.484
  703    HA   GLU  88           HA       GLU  88   9.142   1.331  -7.553
  704   1HB   GLU  88          2HB       GLU  88   7.588   2.978  -5.626
  705   2HB   GLU  88          1HB       GLU  88   7.567   1.236  -5.394
  706   1HG   GLU  88          2HG       GLU  88   9.400   1.624  -4.174
  707   2HG   GLU  88          1HG       GLU  88  10.208   1.647  -5.741
  708    H    ILE  89           H        ILE  89   5.762   2.505  -7.498
  709    HA   ILE  89           HA       ILE  89   4.479   0.070  -7.526
  710    HB   ILE  89           HB       ILE  89   3.379   2.270  -7.279
  711   1HG1  ILE  89          2HG1      ILE  89   1.670   1.322  -9.372
  712   2HG1  ILE  89          1HG1      ILE  89   2.394  -0.059  -8.550
  713   1HG2  ILE  89          1HG2      ILE  89   2.592   3.208  -9.603
  714   2HG2  ILE  89          2HG2      ILE  89   4.112   2.498 -10.146
  715   3HG2  ILE  89          3HG2      ILE  89   4.112   3.715  -8.870
  716   1HD1  ILE  89          1HD1      ILE  89   1.651   1.640  -6.503
  717   2HD1  ILE  89          2HD1      ILE  89   0.816   0.173  -7.016
  718   3HD1  ILE  89          3HD1      ILE  89   0.326   1.741  -7.662
  719    H    GLU  90           H        GLU  90   6.222   1.610 -10.096
  720    HA   GLU  90           HA       GLU  90   5.162  -0.289 -12.061
  721   1HB   GLU  90          2HB       GLU  90   6.544   2.345 -12.245
  722   2HB   GLU  90          1HB       GLU  90   6.709   1.219 -13.584
  723   1HG   GLU  90          2HG       GLU  90   4.268   1.116 -13.786
  724   2HG   GLU  90          1HG       GLU  90   4.121   2.272 -12.464
  725    H    ASN  91           H        ASN  91   8.286   0.818 -10.753
  726    HA   ASN  91           HA       ASN  91   9.738  -1.156 -12.266
  727   1HB   ASN  91          2HB       ASN  91  10.427   1.086 -10.466
  728   2HB   ASN  91          1HB       ASN  91  11.573  -0.250 -10.504
  729   1HD2  ASN  91          1HD2      ASN  91   9.560   1.371 -12.939
  730   2HD2  ASN  91          2HD2      ASN  91  10.854   1.691 -14.039
  731    H    ASN  92           H        ASN  92   8.541  -0.851  -8.980
  732    HA   ASN  92           HA       ASN  92   9.034  -3.662  -8.541
  733   1HB   ASN  92          2HB       ASN  92  11.069  -2.031  -7.794
  734   2HB   ASN  92          1HB       ASN  92  10.096  -2.013  -6.327
  735   1HD2  ASN  92          1HD2      ASN  92   9.094  -4.539  -6.259
  736   2HD2  ASN  92          2HD2      ASN  92  10.380  -5.680  -6.077
  737    HA   PRO  93           HA       PRO  93   5.238  -2.074  -6.506
  738   1HB   PRO  93          2HB       PRO  93   3.566  -3.978  -7.382
  739   2HB   PRO  93          1HB       PRO  93   4.043  -2.619  -8.404
  740   1HG   PRO  93          2HG       PRO  93   5.094  -5.424  -8.376
  741   2HG   PRO  93          1HG       PRO  93   4.669  -4.402  -9.762
  742   1HD   PRO  93          2HD       PRO  93   7.230  -4.747  -8.872
  743   2HD   PRO  93          1HD       PRO  93   6.673  -3.286  -9.710
  744    H    THR  94           H        THR  94   7.107  -4.918  -6.246
  745    HA   THR  94           HA       THR  94   5.545  -5.860  -3.948
  746    HB   THR  94           HB       THR  94   6.814  -7.941  -4.139
  747    HG1  THR  94           1HG      THR  94   8.766  -7.295  -4.914
  748   1HG2  THR  94          1HG2      THR  94   6.098  -8.713  -6.347
  749   2HG2  THR  94          2HG2      THR  94   5.733  -7.048  -6.799
  750   3HG2  THR  94          3HG2      THR  94   4.828  -7.829  -5.503
  751    H    VAL  95           H        VAL  95   7.735  -3.617  -4.270
  752    HA   VAL  95           HA       VAL  95   9.938  -4.374  -2.706
  753    HB   VAL  95           HB       VAL  95   9.930  -2.356  -4.102
  754   1HG1  VAL  95          1HG1      VAL  95   8.012  -1.182  -4.021
  755   2HG1  VAL  95          2HG1      VAL  95   8.808  -0.339  -2.692
  756   3HG1  VAL  95          3HG1      VAL  95   7.674  -1.646  -2.355
  757   1HG2  VAL  95          1HG2      VAL  95  11.495  -2.607  -2.184
  758   2HG2  VAL  95          2HG2      VAL  95  10.381  -1.653  -1.206
  759   3HG2  VAL  95          3HG2      VAL  95  11.158  -0.931  -2.615
  760    H    LYS  96           H        LYS  96  10.440  -4.030  -0.542
  761    HA   LYS  96           HA       LYS  96   8.381  -3.107   1.280
  762   1HB   LYS  96          2HB       LYS  96   8.657  -5.203   2.687
  763   2HB   LYS  96          1HB       LYS  96   7.716  -5.374   1.213
  764   1HG   LYS  96          2HG       LYS  96   9.351  -6.612   0.153
  765   2HG   LYS  96          1HG       LYS  96  10.635  -6.001   1.199
  766   1HD   LYS  96          2HD       LYS  96  10.153  -7.473   2.882
  767   2HD   LYS  96          1HD       LYS  96   8.446  -7.575   2.451
  768   1HE   LYS  96          2HE       LYS  96  10.643  -8.733   0.752
  769   2HE   LYS  96          1HE       LYS  96   9.828  -9.646   2.021
  770   1HZ   LYS  96          1HZ       LYS  96   7.858  -9.668   0.862
  771   2HZ   LYS  96          2HZ       LYS  96   8.977  -9.784  -0.400
  772   3HZ   LYS  96          3HZ       LYS  96   8.239  -8.300  -0.059
  773    H    ALA  97           H        ALA  97   9.216  -3.150   3.589
  774    HA   ALA  97           HA       ALA  97  11.890  -2.042   3.580
  775   1HB   ALA  97          1HB       ALA  97   9.845  -2.311   5.780
  776   2HB   ALA  97          2HB       ALA  97  10.197  -0.869   4.826
  777   3HB   ALA  97          3HB       ALA  97  11.401  -1.500   5.949
  778    H    SER  98           H        SER  98  10.200  -4.711   5.216
  779    HA   SER  98           HA       SER  98  12.749  -6.122   5.433
  780   1HB   SER  98          2HB       SER  98  12.360  -6.696   7.783
  781   2HB   SER  98          1HB       SER  98  12.454  -4.946   7.584
  782    HG   SER  98           HG       SER  98  10.269  -4.801   7.822
  783    H    GLY  99           H        GLY  99  12.546  -8.173   4.810
  784   1HA   GLY  99          2HA       GLY  99   9.824  -9.279   4.607
  785   2HA   GLY  99          1HA       GLY  99  11.198  -9.781   3.634
  786    H    TYR 100           H        TYR 100  13.064 -10.011   5.795
  787    HA   TYR 100           HA       TYR 100  13.846 -11.591   7.230
  788   1HB   TYR 100          2HB       TYR 100  11.380 -10.690   8.267
  789   2HB   TYR 100          1HB       TYR 100  11.390 -12.437   8.478
  790    HD1  TYR 100           1HD      TYR 100  13.131  -9.304   9.321
  791    HD2  TYR 100           2HD      TYR 100  12.844 -13.483  10.054
  792    HE1  TYR 100           1HE      TYR 100  14.559  -9.048  11.303
  793    HE2  TYR 100           2HE      TYR 100  14.270 -13.240  12.038
  794    HH   TYR 100           HH       TYR 100  14.775 -10.673  13.641
  795    H    GLN 101           H        GLN 101  14.219 -12.922   5.313
  796    HA   GLN 101           HA       GLN 101  13.121 -15.541   5.656
  797   1HB   GLN 101          2HB       GLN 101  12.012 -13.778   3.612
  798   2HB   GLN 101          1HB       GLN 101  12.630 -15.280   2.942
  799   1HG   GLN 101          2HG       GLN 101  10.671 -15.107   5.219
  800   2HG   GLN 101          1HG       GLN 101  10.231 -15.355   3.530
  801   1HE2  GLN 101          1HE2      GLN 101  10.795 -16.872   6.386
  802   2HE2  GLN 101          2HE2      GLN 101  11.159 -18.458   5.807
  803    H    SER 102           H        SER 102  14.871 -13.397   3.429
  804    HA   SER 102           HA       SER 102  16.895 -15.519   3.127
  805   1HB   SER 102          2HB       SER 102  17.355 -14.634   0.868
  806   2HB   SER 102          1HB       SER 102  15.686 -15.184   1.023
  807    HG   SER 102           HG       SER 102  16.627 -12.510   1.126
  808    H    SER 103           H        SER 103  18.634 -14.973   4.260
  809    HA   SER 103           HA       SER 103  19.243 -12.307   5.027
  810   1HB   SER 103          2HB       SER 103  20.047 -14.857   5.826
  811   2HB   SER 103          1HB       SER 103  21.514 -14.119   5.183
  812    HG   SER 103           HG       SER 103  21.252 -12.420   6.619
  813    H    GLN 104           H        GLN 104  20.160 -10.779   3.840
  814    HA   GLN 104           HA       GLN 104  21.790 -11.578   1.524
  815   1HB   GLN 104          2HB       GLN 104  20.380  -8.954   2.044
  816   2HB   GLN 104          1HB       GLN 104  21.280  -9.368   0.592
  817   1HG   GLN 104          2HG       GLN 104  19.580 -10.525  -0.278
  818   2HG   GLN 104          1HG       GLN 104  19.171 -11.275   1.264
  819   1HE2  GLN 104          1HE2      GLN 104  19.113  -8.051  -0.225
  820   2HE2  GLN 104          2HE2      GLN 104  17.539  -7.627   0.349
  821    H    LYS 105           H        LYS 105  21.682  -9.491   4.355
  822    HA   LYS 105           HA       LYS 105  24.434  -8.621   3.847
  823   1HB   LYS 105          2HB       LYS 105  24.010  -7.067   5.775
  824   2HB   LYS 105          1HB       LYS 105  22.974  -6.807   4.377
  825   1HG   LYS 105          2HG       LYS 105  21.851  -8.651   6.342
  826   2HG   LYS 105          1HG       LYS 105  22.128  -7.022   6.962
  827   1HD   LYS 105          2HD       LYS 105  20.365  -6.238   5.852
  828   2HD   LYS 105          1HD       LYS 105  20.964  -6.906   4.332
  829   1HE   LYS 105          2HE       LYS 105  19.757  -8.850   4.554
  830   2HE   LYS 105          1HE       LYS 105  19.702  -8.740   6.312
  831   1HZ   LYS 105          1HZ       LYS 105  18.262  -6.648   5.789
  832   2HZ   LYS 105          2HZ       LYS 105  17.568  -8.189   5.764
  833   3HZ   LYS 105          3HZ       LYS 105  17.998  -7.434   4.314
  834    H    LYS 106           H        LYS 106  26.080  -9.570   4.838
  835    HA   LYS 106           HA       LYS 106  25.706 -10.729   7.493
  836   1HB   LYS 106          2HB       LYS 106  26.640 -12.235   5.059
  837   2HB   LYS 106          1HB       LYS 106  27.065 -12.751   6.685
  838   1HG   LYS 106          2HG       LYS 106  24.201 -12.243   6.148
  839   2HG   LYS 106          1HG       LYS 106  24.928 -13.662   5.390
  840   1HD   LYS 106          2HD       LYS 106  25.668 -14.473   7.554
  841   2HD   LYS 106          1HD       LYS 106  25.042 -13.020   8.337
  842   1HE   LYS 106          2HE       LYS 106  22.893 -13.727   8.234
  843   2HE   LYS 106          1HE       LYS 106  23.125 -14.546   6.690
  844   1HZ   LYS 106          1HZ       LYS 106  24.092 -16.395   7.765
  845   2HZ   LYS 106          2HZ       LYS 106  22.693 -16.026   8.642
  846   3HZ   LYS 106          3HZ       LYS 106  24.211 -15.583   9.245
  847    H    SER 107           H        SER 107  27.652 -10.999   8.680
  848    HA   SER 107           HA       SER 107  29.760  -9.181   7.803
  849   1HB   SER 107          2HB       SER 107  29.094 -10.440  10.465
  850   2HB   SER 107          1HB       SER 107  30.587  -9.542  10.191
  851    HG   SER 107           HG       SER 107  29.201  -8.032  10.906
  852    H    CYS 108           H        CYS 108  29.396 -12.510   8.989
  853    HA   CYS 108           HA       CYS 108  30.693 -14.363   8.755
  854   1HB   CYS 108          2HB       CYS 108  30.436 -13.676   6.323
  855   2HB   CYS 108          1HB       CYS 108  32.028 -12.937   6.454
  856    HG   CYS 108           HG       CYS 108  33.103 -15.206   6.530
  857    H    ALA 109           H        ALA 109  32.065 -14.649  10.387
  858    HA   ALA 109           HA       ALA 109  34.663 -13.280  10.268
  859   1HB   ALA 109          1HB       ALA 109  33.754 -12.047  11.973
  860   2HB   ALA 109          2HB       ALA 109  34.469 -13.378  12.883
  861   3HB   ALA 109          3HB       ALA 109  32.739 -13.373  12.538
  862    H    GLU 110           H        GLU 110  36.156 -14.793   9.982
  863    HA   GLU 110           HA       GLU 110  37.363 -16.709  10.178
  864   1HB   GLU 110          2HB       GLU 110  36.767 -15.973  12.723
  865   2HB   GLU 110          1HB       GLU 110  36.064 -17.584  12.682
  866   1HG   GLU 110          2HG       GLU 110  38.054 -18.571  12.757
  867   2HG   GLU 110          1HG       GLU 110  38.729 -17.498  11.531
  Start of MODEL    4
    1   1H    MET   1          1HT       MET   1 -27.843   8.638  -7.424
    2   2H    MET   1          2HT       MET   1 -27.372  10.228  -7.868
    3   3H    MET   1          3HT       MET   1 -26.201   8.977  -7.780
    4    HA   MET   1           HA       MET   1 -27.584   7.820  -9.513
    5   1HB   MET   1          2HB       MET   1 -29.119  10.143  -9.042
    6   2HB   MET   1          1HB       MET   1 -28.433  10.329 -10.650
    7   1HG   MET   1          2HG       MET   1 -30.185   9.140 -11.331
    8   2HG   MET   1          1HG       MET   1 -29.300   7.747 -10.711
    9   1HE   MET   1          1HE       MET   1 -29.898   6.337  -8.917
   10   2HE   MET   1          2HE       MET   1 -31.312   6.090  -9.941
   11   3HE   MET   1          3HE       MET   1 -31.508   6.281  -8.199
   12    H    SER   2           H        SER   2 -26.444  11.198  -9.727
   13    HA   SER   2           HA       SER   2 -24.715  10.490 -11.950
   14   1HB   SER   2          2HB       SER   2 -25.937  12.916 -10.944
   15   2HB   SER   2          1HB       SER   2 -24.214  13.155 -11.230
   16    HG   SER   2           HG       SER   2 -26.100  13.176 -13.018
   17    H    ARG   3           H        ARG   3 -22.616  10.047 -11.787
   18    HA   ARG   3           HA       ARG   3 -20.533   9.741 -10.932
   19   1HB   ARG   3          2HB       ARG   3 -21.380  12.362  -9.943
   20   2HB   ARG   3          1HB       ARG   3 -20.168  11.599  -8.925
   21   1HG   ARG   3          2HG       ARG   3 -18.649  12.407 -10.324
   22   2HG   ARG   3          1HG       ARG   3 -19.212  11.210 -11.491
   23   1HD   ARG   3          2HD       ARG   3 -20.990  13.435 -11.545
   24   2HD   ARG   3          1HD       ARG   3 -19.337  14.039 -11.656
   25    HE   ARG   3           HE       ARG   3 -19.407  11.994 -13.445
   26   1HH1  ARG   3          1HH1      ARG   3 -21.335  14.862 -12.962
   27   2HH1  ARG   3          2HH1      ARG   3 -21.724  15.036 -14.640
   28   1HH2  ARG   3          1HH2      ARG   3 -19.918  12.221 -15.654
   29   2HH2  ARG   3          2HH2      ARG   3 -20.920  13.537 -16.168
   30    H    SER   4           H        SER   4 -20.455   7.854  -9.880
   31    HA   SER   4           HA       SER   4 -20.451   7.787  -7.048
   32   1HB   SER   4          2HB       SER   4 -22.360   6.021  -6.959
   33   2HB   SER   4          1HB       SER   4 -22.789   7.732  -7.003
   34    HG   SER   4           HG       SER   4 -23.809   6.083  -8.548
   35    H    ASN   5           H        ASN   5 -19.426   5.983  -6.278
   36    HA   ASN   5           HA       ASN   5 -18.520   4.068  -8.318
   37   1HB   ASN   5          2HB       ASN   5 -17.236   5.277  -5.922
   38   2HB   ASN   5          1HB       ASN   5 -16.800   3.618  -6.319
   39   1HD2  ASN   5          1HD2      ASN   5 -14.862   5.448  -6.384
   40   2HD2  ASN   5          2HD2      ASN   5 -14.406   5.815  -8.009
   41    H    ARG   6           H        ARG   6 -18.392   1.841  -7.800
   42    HA   ARG   6           HA       ARG   6 -20.461   0.997  -5.924
   43   1HB   ARG   6          2HB       ARG   6 -20.031   0.190  -8.430
   44   2HB   ARG   6          1HB       ARG   6 -18.986  -0.963  -7.611
   45   1HG   ARG   6          2HG       ARG   6 -20.749  -1.980  -6.511
   46   2HG   ARG   6          1HG       ARG   6 -21.807  -0.581  -6.703
   47   1HD   ARG   6          2HD       ARG   6 -20.830  -2.035  -9.121
   48   2HD   ARG   6          1HD       ARG   6 -22.151  -2.718  -8.173
   49    HE   ARG   6           HE       ARG   6 -22.249  -0.397  -9.874
   50   1HH1  ARG   6          1HH1      ARG   6 -23.737  -2.055  -7.187
   51   2HH1  ARG   6          2HH1      ARG   6 -25.279  -1.297  -7.412
   52   1HH2  ARG   6          1HH2      ARG   6 -24.274   0.599 -10.171
   53   2HH2  ARG   6          2HH2      ARG   6 -25.584   0.208  -9.106
   54    H    GLN   7           H        GLN   7 -19.940  -1.233  -4.857
   55    HA   GLN   7           HA       GLN   7 -17.501  -0.825  -3.309
   56   1HB   GLN   7          2HB       GLN   7 -20.123  -2.007  -2.814
   57   2HB   GLN   7          1HB       GLN   7 -18.808  -3.015  -2.226
   58   1HG   GLN   7          2HG       GLN   7 -18.022  -0.607  -1.305
   59   2HG   GLN   7          1HG       GLN   7 -19.774  -0.411  -1.269
   60   1HE2  GLN   7          1HE2      GLN   7 -17.430  -0.963   0.718
   61   2HE2  GLN   7          2HE2      GLN   7 -18.111  -2.149   1.774
   62    H    LYS   8           H        LYS   8 -15.873  -1.580  -4.625
   63    HA   LYS   8           HA       LYS   8 -16.060  -4.298  -5.677
   64   1HB   LYS   8          2HB       LYS   8 -15.184  -2.323  -7.031
   65   2HB   LYS   8          1HB       LYS   8 -13.757  -2.379  -6.007
   66   1HG   LYS   8          2HG       LYS   8 -13.957  -4.974  -6.809
   67   2HG   LYS   8          1HG       LYS   8 -14.554  -4.107  -8.226
   68   1HD   LYS   8          2HD       LYS   8 -12.547  -2.984  -8.542
   69   2HD   LYS   8          1HD       LYS   8 -12.033  -3.229  -6.872
   70   1HE   LYS   8          2HE       LYS   8 -10.821  -4.607  -8.597
   71   2HE   LYS   8          1HE       LYS   8 -11.538  -5.512  -7.265
   72   1HZ   LYS   8          1HZ       LYS   8 -13.063  -5.136  -9.751
   73   2HZ   LYS   8          2HZ       LYS   8 -13.162  -6.384  -8.612
   74   3HZ   LYS   8          3HZ       LYS   8 -11.857  -6.321  -9.686
   75    H    GLU   9           H        GLU   9 -14.551  -5.921  -5.184
   76    HA   GLU   9           HA       GLU   9 -13.369  -5.651  -2.525
   77   1HB   GLU   9          2HB       GLU   9 -13.644  -8.143  -4.211
   78   2HB   GLU   9          1HB       GLU   9 -13.248  -8.063  -2.500
   79   1HG   GLU   9          2HG       GLU   9 -15.767  -6.760  -3.174
   80   2HG   GLU   9          1HG       GLU   9 -15.735  -8.483  -3.548
   81    H    TYR  10           H        TYR  10 -11.206  -5.866  -2.113
   82    HA   TYR  10           HA       TYR  10  -9.447  -6.009  -4.480
   83   1HB   TYR  10          2HB       TYR  10  -8.985  -4.594  -1.842
   84   2HB   TYR  10          1HB       TYR  10  -7.833  -4.671  -3.171
   85    HD1  TYR  10           1HD      TYR  10  -8.291  -3.474  -5.280
   86    HD2  TYR  10           2HD      TYR  10 -10.845  -3.086  -1.901
   87    HE1  TYR  10           1HE      TYR  10  -9.296  -1.464  -6.278
   88    HE2  TYR  10           2HE      TYR  10 -11.857  -1.075  -2.889
   89    HH   TYR  10           HH       TYR  10 -12.133   0.019  -4.964
   90    H    LYS  11           H        LYS  11  -7.324  -6.994  -4.145
   91    HA   LYS  11           HA       LYS  11  -7.220  -8.878  -1.902
   92   1HB   LYS  11          2HB       LYS  11  -7.315  -9.504  -4.797
   93   2HB   LYS  11          1HB       LYS  11  -6.169 -10.426  -3.835
   94   1HG   LYS  11          2HG       LYS  11  -8.763 -10.273  -2.558
   95   2HG   LYS  11          1HG       LYS  11  -8.860 -10.967  -4.178
   96   1HD   LYS  11          2HD       LYS  11  -7.566 -12.779  -3.626
   97   2HD   LYS  11          1HD       LYS  11  -6.705 -11.913  -2.353
   98   1HE   LYS  11          2HE       LYS  11  -8.547 -12.097  -0.865
   99   2HE   LYS  11          1HE       LYS  11  -9.613 -12.660  -2.150
  100   1HZ   LYS  11          1HZ       LYS  11  -7.655 -14.498  -2.204
  101   2HZ   LYS  11          2HZ       LYS  11  -9.105 -14.673  -1.350
  102   3HZ   LYS  11          3HZ       LYS  11  -7.715 -14.135  -0.551
  103    H    CYS  12           H        CYS  12  -5.076  -9.791  -1.537
  104    HA   CYS  12           HA       CYS  12  -3.078  -7.893  -1.356
  105   1HB   CYS  12          2HB       CYS  12  -2.738 -10.896  -1.507
  106   2HB   CYS  12          1HB       CYS  12  -1.547  -9.761  -0.883
  107    HG   CYS  12           HG       CYS  12  -3.994  -9.407   0.735
  108    H    GLY  13           H        GLY  13  -1.725  -6.987  -2.797
  109   1HA   GLY  13          2HA       GLY  13  -0.055  -7.222  -4.518
  110   2HA   GLY  13          1HA       GLY  13  -1.013  -8.522  -5.204
  111    H    ASP  14           H        ASP  14  -3.420  -6.635  -4.617
  112    HA   ASP  14           HA       ASP  14  -3.603  -5.616  -7.261
  113   1HB   ASP  14          2HB       ASP  14  -5.483  -6.333  -5.590
  114   2HB   ASP  14          1HB       ASP  14  -5.376  -4.665  -5.036
  115    H    LEU  15           H        LEU  15  -3.227  -3.616  -8.064
  116    HA   LEU  15           HA       LEU  15  -1.899  -1.711  -6.301
  117   1HB   LEU  15          2HB       LEU  15  -2.255  -1.619  -9.298
  118   2HB   LEU  15          1HB       LEU  15  -1.232  -0.562  -8.344
  119    HG   LEU  15           HG       LEU  15  -0.838  -3.528  -8.748
  120   1HD1  LEU  15          1HD1      LEU  15   1.284  -2.696  -9.840
  121   2HD1  LEU  15          2HD1      LEU  15   0.551  -1.092  -9.833
  122   3HD1  LEU  15          3HD1      LEU  15  -0.212  -2.408 -10.727
  123   1HD2  LEU  15          1HD2      LEU  15   1.028  -3.435  -7.359
  124   2HD2  LEU  15          2HD2      LEU  15  -0.179  -2.495  -6.484
  125   3HD2  LEU  15          3HD2      LEU  15   1.088  -1.673  -7.394
  126    H    VAL  16           H        VAL  16  -3.021  -0.170  -5.365
  127    HA   VAL  16           HA       VAL  16  -5.211   1.095  -6.840
  128    HB   VAL  16           HB       VAL  16  -6.631   1.119  -4.833
  129   1HG1  VAL  16          1HG1      VAL  16  -7.039  -0.580  -6.486
  130   2HG1  VAL  16          2HG1      VAL  16  -7.248  -1.284  -4.883
  131   3HG1  VAL  16          3HG1      VAL  16  -5.779  -1.606  -5.801
  132   1HG2  VAL  16          1HG2      VAL  16  -5.023  -1.020  -3.552
  133   2HG2  VAL  16          2HG2      VAL  16  -6.063   0.206  -2.826
  134   3HG2  VAL  16          3HG2      VAL  16  -4.448   0.638  -3.385
  135    H    PHE  17           H        PHE  17  -6.036   3.045  -5.610
  136    HA   PHE  17           HA       PHE  17  -3.741   4.550  -4.527
  137   1HB   PHE  17          2HB       PHE  17  -6.113   5.378  -6.185
  138   2HB   PHE  17          1HB       PHE  17  -5.234   6.554  -5.217
  139    HD1  PHE  17           1HD      PHE  17  -2.538   6.199  -5.520
  140    HD2  PHE  17           2HD      PHE  17  -5.555   5.355  -8.391
  141    HE1  PHE  17           1HE      PHE  17  -0.896   6.466  -7.320
  142    HE2  PHE  17           2HE      PHE  17  -3.918   5.620 -10.199
  143    HZ   PHE  17           HZ       PHE  17  -1.578   6.178  -9.669
  144    H    ALA  18           H        ALA  18  -3.943   5.492  -2.521
  145    HA   ALA  18           HA       ALA  18  -6.518   5.094  -1.155
  146   1HB   ALA  18          1HB       ALA  18  -3.778   4.507  -0.381
  147   2HB   ALA  18          2HB       ALA  18  -5.297   3.891   0.271
  148   3HB   ALA  18          3HB       ALA  18  -4.654   5.430   0.842
  149    H    LYS  19           H        LYS  19  -7.594   6.826  -0.521
  150    HA   LYS  19           HA       LYS  19  -6.315   9.433  -0.672
  151   1HB   LYS  19          2HB       LYS  19  -8.471   9.165  -1.779
  152   2HB   LYS  19          1HB       LYS  19  -9.207   8.658  -0.266
  153   1HG   LYS  19          2HG       LYS  19  -9.803  10.934  -0.700
  154   2HG   LYS  19          1HG       LYS  19  -8.702  10.888   0.678
  155   1HD   LYS  19          2HD       LYS  19  -6.916  11.734  -0.571
  156   2HD   LYS  19          1HD       LYS  19  -7.688  11.340  -2.109
  157   1HE   LYS  19          2HE       LYS  19  -8.503  13.494  -0.164
  158   2HE   LYS  19          1HE       LYS  19  -7.788  13.721  -1.759
  159   1HZ   LYS  19          1HZ       LYS  19  -9.846  12.421  -2.555
  160   2HZ   LYS  19          2HZ       LYS  19 -10.021  14.052  -2.144
  161   3HZ   LYS  19          3HZ       LYS  19 -10.513  12.850  -1.060
  162    H    MET  20           H        MET  20  -5.840  10.685   1.015
  163    HA   MET  20           HA       MET  20  -6.745   9.826   3.684
  164   1HB   MET  20          2HB       MET  20  -4.036  10.165   2.659
  165   2HB   MET  20          1HB       MET  20  -4.327  11.121   4.106
  166   1HG   MET  20          2HG       MET  20  -5.385   8.789   4.892
  167   2HG   MET  20          1HG       MET  20  -4.169   8.200   3.759
  168   1HE   MET  20          1HE       MET  20  -2.160   7.642   4.224
  169   2HE   MET  20          2HE       MET  20  -1.175   7.965   5.650
  170   3HE   MET  20          3HE       MET  20  -1.210   9.124   4.322
  171    H    LYS  21           H        LYS  21  -6.933  11.511   5.269
  172    HA   LYS  21           HA       LYS  21  -8.101  13.878   4.252
  173   1HB   LYS  21          2HB       LYS  21  -8.177  14.577   6.645
  174   2HB   LYS  21          1HB       LYS  21  -8.859  12.984   6.349
  175   1HG   LYS  21          2HG       LYS  21  -6.246  12.405   6.926
  176   2HG   LYS  21          1HG       LYS  21  -6.580  13.776   7.985
  177   1HD   LYS  21          2HD       LYS  21  -8.834  12.230   8.266
  178   2HD   LYS  21          1HD       LYS  21  -7.554  11.024   8.110
  179   1HE   LYS  21          2HE       LYS  21  -6.304  12.448   9.857
  180   2HE   LYS  21          1HE       LYS  21  -7.878  13.177  10.173
  181   1HZ   LYS  21          1HZ       LYS  21  -8.683  11.273  11.083
  182   2HZ   LYS  21          2HZ       LYS  21  -7.052  11.072  11.480
  183   3HZ   LYS  21          3HZ       LYS  21  -7.704  10.256  10.150
  184    H    GLY  22           H        GLY  22  -7.052  15.553   3.408
  185   1HA   GLY  22          2HA       GLY  22  -5.641  17.440   3.584
  186   2HA   GLY  22          1HA       GLY  22  -4.688  16.586   4.786
  187    H    TYR  23           H        TYR  23  -4.722  14.179   2.911
  188    HA   TYR  23           HA       TYR  23  -2.609  15.156   1.089
  189   1HB   TYR  23          2HB       TYR  23  -2.748  12.307   2.029
  190   2HB   TYR  23          1HB       TYR  23  -1.357  13.223   1.459
  191    HD1  TYR  23           1HD      TYR  23  -2.435  11.638   4.213
  192    HD2  TYR  23           2HD      TYR  23  -1.210  15.551   3.081
  193    HE1  TYR  23           1HE      TYR  23  -1.808  12.109   6.543
  194    HE2  TYR  23           2HE      TYR  23  -0.576  16.031   5.408
  195    HH   TYR  23           HH       TYR  23  -1.506  14.077   8.006
  196    HA   PRO  24           HA       PRO  24  -5.052  13.541  -2.222
  197   1HB   PRO  24          2HB       PRO  24  -3.210  13.373  -4.165
  198   2HB   PRO  24          1HB       PRO  24  -3.742  14.932  -3.523
  199   1HG   PRO  24          2HG       PRO  24  -1.267  13.370  -2.896
  200   2HG   PRO  24          1HG       PRO  24  -1.450  15.112  -3.173
  201   1HD   PRO  24          2HD       PRO  24  -1.288  13.971  -0.687
  202   2HD   PRO  24          1HD       PRO  24  -2.114  15.506  -1.017
  203    H    HIS  25           H        HIS  25  -5.223  11.739  -3.761
  204    HA   HIS  25           HA       HIS  25  -4.950   9.234  -2.614
  205   1HB   HIS  25          2HB       HIS  25  -5.051   9.949  -5.559
  206   2HB   HIS  25          1HB       HIS  25  -5.355   8.350  -4.890
  207    HD1  HIS  25           1HD      HIS  25  -6.817  11.838  -4.875
  208    HD2  HIS  25           2HD      HIS  25  -7.921   7.923  -4.025
  209    HE1  HIS  25           1HE      HIS  25  -9.292  11.917  -4.441
  210    HE2  HIS  25           2HE      HIS  25  -9.945   9.533  -3.958
  211    H    TRP  26           H        TRP  26  -3.126   8.183  -2.076
  212    HA   TRP  26           HA       TRP  26  -0.659   8.701  -3.570
  213   1HB   TRP  26          2HB       TRP  26  -1.035   8.760  -0.940
  214   2HB   TRP  26          1HB       TRP  26  -0.712   7.039  -1.096
  215    HD1  TRP  26           HD       TRP  26   1.769   6.386  -2.146
  216    HE1  TRP  26           1HE      TRP  26   4.018   7.615  -1.858
  217    HE3  TRP  26           3HE      TRP  26   0.029  10.976  -0.715
  218    HZ2  TRP  26           2HZ      TRP  26   4.921  10.190  -1.127
  219    HZ3  TRP  26           3HZ      TRP  26   1.636  12.758  -0.245
  220    HH2  TRP  26           HH       TRP  26   4.022  12.375  -0.446
  221    HA   PRO  27           HA       PRO  27  -0.858   4.790  -5.729
  222   1HB   PRO  27          2HB       PRO  27   2.099   4.842  -5.477
  223   2HB   PRO  27          1HB       PRO  27   1.098   4.712  -6.925
  224   1HG   PRO  27          2HG       PRO  27   2.418   6.971  -6.296
  225   2HG   PRO  27          1HG       PRO  27   0.850   6.993  -7.117
  226   1HD   PRO  27          2HD       PRO  27   1.520   7.614  -4.290
  227   2HD   PRO  27          1HD       PRO  27   0.245   8.286  -5.323
  228    H    ALA  28           H        ALA  28  -1.373   2.970  -4.645
  229    HA   ALA  28           HA       ALA  28   0.542   1.929  -2.695
  230   1HB   ALA  28          1HB       ALA  28  -0.674   2.489  -0.937
  231   2HB   ALA  28          2HB       ALA  28  -2.028   1.551  -1.569
  232   3HB   ALA  28          3HB       ALA  28  -1.859   3.255  -1.996
  233    H    ARG  29           H        ARG  29  -0.299  -0.223  -1.781
  234    HA   ARG  29           HA       ARG  29  -1.766  -1.791  -3.770
  235   1HB   ARG  29          2HB       ARG  29   0.672  -1.957  -4.289
  236   2HB   ARG  29          1HB       ARG  29   0.928  -2.630  -2.684
  237   1HG   ARG  29          2HG       ARG  29  -0.693  -4.457  -3.329
  238   2HG   ARG  29          1HG       ARG  29  -0.582  -3.841  -4.979
  239   1HD   ARG  29          2HD       ARG  29   1.125  -5.286  -5.160
  240   2HD   ARG  29          1HD       ARG  29   2.042  -4.041  -4.314
  241    HE   ARG  29           HE       ARG  29   1.182  -5.376  -2.243
  242   1HH1  ARG  29          1HH1      ARG  29   2.302  -6.688  -5.283
  243   2HH1  ARG  29          2HH1      ARG  29   2.840  -8.174  -4.581
  244   1HH2  ARG  29          1HH2      ARG  29   1.899  -7.328  -1.326
  245   2HH2  ARG  29          2HH2      ARG  29   2.617  -8.536  -2.337
  246    H    ILE  30           H        ILE  30  -2.522  -3.865  -2.931
  247    HA   ILE  30           HA       ILE  30  -3.206  -3.687  -0.117
  248    HB   ILE  30           HB       ILE  30  -3.937  -5.883  -2.055
  249   1HG1  ILE  30          2HG1      ILE  30  -4.642  -3.670  -2.907
  250   2HG1  ILE  30          1HG1      ILE  30  -6.014  -4.678  -2.462
  251   1HG2  ILE  30          1HG2      ILE  30  -5.400  -4.979   0.412
  252   2HG2  ILE  30          2HG2      ILE  30  -4.183  -6.255   0.430
  253   3HG2  ILE  30          3HG2      ILE  30  -5.651  -6.450  -0.527
  254   1HD1  ILE  30          1HD1      ILE  30  -6.224  -2.304  -1.781
  255   2HD1  ILE  30          2HD1      ILE  30  -4.851  -2.540  -0.698
  256   3HD1  ILE  30          3HD1      ILE  30  -6.343  -3.446  -0.442
  257    H    ASP  31           H        ASP  31  -2.524  -5.061   1.492
  258    HA   ASP  31           HA       ASP  31  -0.486  -7.044   0.743
  259   1HB   ASP  31          2HB       ASP  31  -0.361  -4.817   2.665
  260   2HB   ASP  31          1HB       ASP  31   0.254  -6.352   3.273
  261    H    GLU  32           H        GLU  32  -3.362  -6.410   2.530
  262    HA   GLU  32           HA       GLU  32  -3.590  -9.175   3.239
  263   1HB   GLU  32          2HB       GLU  32  -2.127  -8.144   5.054
  264   2HB   GLU  32          1HB       GLU  32  -3.551  -7.234   5.542
  265   1HG   GLU  32          2HG       GLU  32  -4.338  -8.956   6.683
  266   2HG   GLU  32          1HG       GLU  32  -4.198 -10.018   5.282
  267    H    MET  33           H        MET  33  -5.678  -9.748   3.984
  268    HA   MET  33           HA       MET  33  -7.724  -7.843   3.178
  269   1HB   MET  33          2HB       MET  33  -8.124 -10.697   4.077
  270   2HB   MET  33          1HB       MET  33  -9.234  -9.699   3.147
  271   1HG   MET  33          2HG       MET  33  -6.542 -10.266   2.020
  272   2HG   MET  33          1HG       MET  33  -7.760 -11.541   2.002
  273   1HE   MET  33          1HE       MET  33  -6.906  -8.007   1.330
  274   2HE   MET  33          2HE       MET  33  -8.562  -7.438   1.131
  275   3HE   MET  33          3HE       MET  33  -7.533  -7.667  -0.283
  276    HA   PRO  34           HA       PRO  34  -8.990  -6.941   7.317
  277   1HB   PRO  34          2HB       PRO  34 -11.543  -6.226   6.976
  278   2HB   PRO  34          1HB       PRO  34 -10.227  -5.280   6.270
  279   1HG   PRO  34          2HG       PRO  34 -12.044  -7.266   4.970
  280   2HG   PRO  34          1HG       PRO  34 -11.452  -5.714   4.350
  281   1HD   PRO  34          2HD       PRO  34 -10.390  -8.183   3.696
  282   2HD   PRO  34          1HD       PRO  34  -9.522  -6.641   3.561
  283    H    GLU  35           H        GLU  35  -8.977  -8.640   8.653
  284    HA   GLU  35           HA       GLU  35 -10.471 -10.969   8.460
  285   1HB   GLU  35          2HB       GLU  35 -10.080 -11.028  11.036
  286   2HB   GLU  35          1HB       GLU  35  -8.712 -11.142   9.940
  287   1HG   GLU  35          2HG       GLU  35  -9.243  -8.393  10.552
  288   2HG   GLU  35          1HG       GLU  35  -9.096  -9.328  12.038
  289    H    ALA  36           H        ALA  36 -11.118  -9.165  11.362
  290    HA   ALA  36           HA       ALA  36 -13.688  -8.217  10.738
  291   1HB   ALA  36          1HB       ALA  36 -13.574 -11.016  11.182
  292   2HB   ALA  36          2HB       ALA  36 -14.997 -10.002  10.941
  293   3HB   ALA  36          3HB       ALA  36 -14.381 -10.283  12.569
  294    H    ALA  37           H        ALA  37 -11.795  -9.751  13.292
  295    HA   ALA  37           HA       ALA  37 -11.400  -7.464  14.829
  296   1HB   ALA  37          1HB       ALA  37 -13.245  -8.973  16.493
  297   2HB   ALA  37          2HB       ALA  37 -14.027  -8.296  15.065
  298   3HB   ALA  37          3HB       ALA  37 -13.164  -7.239  16.182
  299    H    VAL  38           H        VAL  38  -9.385  -8.630  14.681
  300    HA   VAL  38           HA       VAL  38  -9.059 -10.497  16.900
  301    HB   VAL  38           HB       VAL  38  -7.574 -11.940  15.405
  302   1HG1  VAL  38          1HG1      VAL  38 -10.255 -12.394  14.354
  303   2HG1  VAL  38          2HG1      VAL  38 -10.228 -12.120  16.097
  304   3HG1  VAL  38          3HG1      VAL  38  -9.255 -13.411  15.392
  305   1HG2  VAL  38          1HG2      VAL  38  -9.236 -11.188  13.083
  306   2HG2  VAL  38          2HG2      VAL  38  -7.553 -11.709  13.156
  307   3HG2  VAL  38          3HG2      VAL  38  -7.975 -10.040  13.534
  308    H    LYS  39           H        LYS  39  -8.170  -7.687  15.827
  309    HA   LYS  39           HA       LYS  39  -5.628  -7.746  17.097
  310   1HB   LYS  39          2HB       LYS  39  -4.420  -6.817  15.015
  311   2HB   LYS  39          1HB       LYS  39  -4.656  -8.553  15.142
  312   1HG   LYS  39          2HG       LYS  39  -5.543  -8.493  13.114
  313   2HG   LYS  39          1HG       LYS  39  -6.917  -7.630  13.806
  314   1HD   LYS  39          2HD       LYS  39  -6.251  -6.210  12.102
  315   2HD   LYS  39          1HD       LYS  39  -5.421  -5.528  13.500
  316   1HE   LYS  39          2HE       LYS  39  -3.502  -5.733  12.403
  317   2HE   LYS  39          1HE       LYS  39  -3.702  -7.485  12.448
  318   1HZ   LYS  39          1HZ       LYS  39  -3.414  -6.858  10.198
  319   2HZ   LYS  39          2HZ       LYS  39  -4.569  -5.628  10.304
  320   3HZ   LYS  39          3HZ       LYS  39  -5.051  -7.248  10.378
  321    H    SER  40           H        SER  40  -7.268  -5.837  14.562
  322    HA   SER  40           HA       SER  40  -8.164  -3.758  16.121
  323   1HB   SER  40          2HB       SER  40  -5.341  -3.698  16.026
  324   2HB   SER  40          1HB       SER  40  -5.893  -2.396  14.974
  325    HG   SER  40           HG       SER  40  -6.894  -2.789  17.592
  326    H    THR  41           H        THR  41  -9.002  -5.100  13.859
  327    HA   THR  41           HA       THR  41  -9.181  -2.888  11.930
  328    HB   THR  41           HB       THR  41  -9.246  -4.770  10.144
  329    HG1  THR  41           1HG      THR  41  -9.171  -6.445  11.794
  330   1HG2  THR  41          1HG2      THR  41  -6.755  -3.797  11.484
  331   2HG2  THR  41          2HG2      THR  41  -7.467  -3.288   9.952
  332   3HG2  THR  41          3HG2      THR  41  -6.699  -4.870  10.086
  333    H    ALA  42           H        ALA  42 -11.227  -2.296  11.930
  334    HA   ALA  42           HA       ALA  42 -13.361  -4.100  12.613
  335   1HB   ALA  42          1HB       ALA  42 -14.824  -2.173  12.191
  336   2HB   ALA  42          2HB       ALA  42 -13.448  -1.273  11.557
  337   3HB   ALA  42          3HB       ALA  42 -13.484  -1.749  13.255
  338    H    ASN  43           H        ASN  43 -12.781  -2.073   9.767
  339    HA   ASN  43           HA       ASN  43 -13.263  -4.253   7.962
  340   1HB   ASN  43          2HB       ASN  43 -15.407  -2.436   8.673
  341   2HB   ASN  43          1HB       ASN  43 -15.039  -2.331   6.955
  342   1HD2  ASN  43          1HD2      ASN  43 -16.535  -3.458   5.942
  343   2HD2  ASN  43          2HD2      ASN  43 -17.025  -5.069   6.329
  344    H    LYS  44           H        LYS  44 -10.954  -3.110   8.133
  345    HA   LYS  44           HA       LYS  44 -10.849  -1.270   5.837
  346   1HB   LYS  44          2HB       LYS  44  -8.869  -1.002   8.064
  347   2HB   LYS  44          1HB       LYS  44  -9.384   0.193   6.884
  348   1HG   LYS  44          2HG       LYS  44 -11.155   0.856   8.121
  349   2HG   LYS  44          1HG       LYS  44 -11.450  -0.759   8.769
  350   1HD   LYS  44          2HD       LYS  44  -9.977  -0.485  10.498
  351   2HD   LYS  44          1HD       LYS  44  -8.967   0.651   9.600
  352   1HE   LYS  44          2HE       LYS  44 -11.624   1.708  10.037
  353   2HE   LYS  44          1HE       LYS  44 -10.851   1.261  11.557
  354   1HZ   LYS  44          1HZ       LYS  44  -9.073   2.709  11.151
  355   2HZ   LYS  44          2HZ       LYS  44 -10.448   3.594  10.717
  356   3HZ   LYS  44          3HZ       LYS  44  -9.473   2.905   9.519
  357    H    TYR  45           H        TYR  45  -9.037  -1.401   4.524
  358    HA   TYR  45           HA       TYR  45  -7.649  -3.979   4.643
  359   1HB   TYR  45          2HB       TYR  45  -7.780  -1.909   2.434
  360   2HB   TYR  45          1HB       TYR  45  -6.988  -3.476   2.315
  361    HD1  TYR  45           1HD      TYR  45  -8.226  -5.436   1.830
  362    HD2  TYR  45           2HD      TYR  45 -10.267  -1.810   2.715
  363    HE1  TYR  45           1HE      TYR  45 -10.342  -6.457   1.104
  364    HE2  TYR  45           2HE      TYR  45 -12.387  -2.820   1.990
  365    HH   TYR  45           HH       TYR  45 -12.747  -6.156   1.456
  366    H    GLN  46           H        GLN  46  -5.352  -4.114   4.336
  367    HA   GLN  46           HA       GLN  46  -3.929  -1.811   5.465
  368   1HB   GLN  46          2HB       GLN  46  -3.805  -4.318   6.317
  369   2HB   GLN  46          1HB       GLN  46  -2.618  -4.462   5.028
  370   1HG   GLN  46          2HG       GLN  46  -1.291  -2.692   6.015
  371   2HG   GLN  46          1HG       GLN  46  -2.502  -2.464   7.277
  372   1HE2  GLN  46          1HE2      GLN  46   0.434  -3.530   6.946
  373   2HE2  GLN  46          2HE2      GLN  46   0.449  -4.884   8.019
  374    H    VAL  47           H        VAL  47  -3.340  -0.465   3.881
  375    HA   VAL  47           HA       VAL  47  -2.282  -1.590   1.392
  376    HB   VAL  47           HB       VAL  47  -2.628   0.575   0.383
  377   1HG1  VAL  47          1HG1      VAL  47  -4.705  -1.029   1.506
  378   2HG1  VAL  47          2HG1      VAL  47  -4.698  -0.119  -0.004
  379   3HG1  VAL  47          3HG1      VAL  47  -5.222   0.657   1.490
  380   1HG2  VAL  47          1HG2      VAL  47  -4.053   2.135   2.120
  381   2HG2  VAL  47          2HG2      VAL  47  -2.346   2.349   1.727
  382   3HG2  VAL  47          3HG2      VAL  47  -2.813   1.445   3.169
  383    H    PHE  48           H        PHE  48  -0.405  -0.862   0.453
  384    HA   PHE  48           HA       PHE  48   1.597   0.192   2.340
  385   1HB   PHE  48          2HB       PHE  48   2.034  -2.056   1.374
  386   2HB   PHE  48          1HB       PHE  48   2.010  -1.350  -0.237
  387    HD1  PHE  48           1HD      PHE  48   3.649  -0.500   3.015
  388    HD2  PHE  48           2HD      PHE  48   4.089  -1.172  -1.166
  389    HE1  PHE  48           1HE      PHE  48   6.056  -0.019   3.193
  390    HE2  PHE  48           2HE      PHE  48   6.497  -0.694  -0.993
  391    HZ   PHE  48           HZ       PHE  48   7.483  -0.116   1.187
  392    H    PHE  49           H        PHE  49   2.341   2.184   2.010
  393    HA   PHE  49           HA       PHE  49   1.615   3.624  -0.419
  394   1HB   PHE  49          2HB       PHE  49   2.839   4.561   2.187
  395   2HB   PHE  49          1HB       PHE  49   2.481   5.617   0.825
  396    HD1  PHE  49           1HD      PHE  49  -0.110   4.950  -0.084
  397    HD2  PHE  49           2HD      PHE  49   1.376   4.881   3.902
  398    HE1  PHE  49           1HE      PHE  49  -2.393   5.254   0.769
  399    HE2  PHE  49           2HE      PHE  49  -0.906   5.185   4.757
  400    HZ   PHE  49           HZ       PHE  49  -2.795   5.367   3.194
  401    H    PHE  50           H        PHE  50   3.018   3.360  -2.073
  402    HA   PHE  50           HA       PHE  50   5.703   2.595  -1.828
  403   1HB   PHE  50          2HB       PHE  50   4.153   3.879  -4.074
  404   2HB   PHE  50          1HB       PHE  50   5.860   3.475  -4.236
  405    HD1  PHE  50           1HD      PHE  50   6.401   0.980  -3.387
  406    HD2  PHE  50           2HD      PHE  50   2.662   2.348  -4.893
  407    HE1  PHE  50           1HE      PHE  50   5.796  -1.330  -3.976
  408    HE2  PHE  50           2HE      PHE  50   2.053   0.036  -5.480
  409    HZ   PHE  50           HZ       PHE  50   3.619  -1.804  -5.023
  410    H    GLY  51           H        GLY  51   7.480   4.033  -2.968
  411   1HA   GLY  51          2HA       GLY  51   8.802   5.920  -2.905
  412   2HA   GLY  51          1HA       GLY  51   7.357   6.849  -2.529
  413    H    THR  52           H        THR  52   6.505   6.270  -0.215
  414    HA   THR  52           HA       THR  52   8.705   6.840   1.610
  415    HB   THR  52           HB       THR  52   6.938   7.418   3.207
  416    HG1  THR  52           1HG      THR  52   4.772   7.300   2.539
  417   1HG2  THR  52          1HG2      THR  52   7.491   9.266   1.892
  418   2HG2  THR  52          2HG2      THR  52   5.731   9.182   1.837
  419   3HG2  THR  52          3HG2      THR  52   6.685   8.607   0.470
  420    H    HIS  53           H        HIS  53   6.589   4.269   0.727
  421    HA   HIS  53           HA       HIS  53   6.410   2.105   1.409
  422   1HB   HIS  53          2HB       HIS  53   8.897   2.668   3.043
  423   2HB   HIS  53          1HB       HIS  53   8.279   1.084   2.588
  424    HD1  HIS  53           1HD      HIS  53  11.106   2.551   1.830
  425    HD2  HIS  53           2HD      HIS  53   7.859   1.779  -0.644
  426    HE1  HIS  53           1HE      HIS  53  12.035   2.511  -0.506
  427    HE2  HIS  53           2HE      HIS  53  10.057   2.013  -1.984
  428    H    GLU  54           H        GLU  54   5.028   4.171   2.807
  429    HA   GLU  54           HA       GLU  54   5.101   3.384   5.618
  430   1HB   GLU  54          2HB       GLU  54   3.360   5.428   4.225
  431   2HB   GLU  54          1HB       GLU  54   3.504   5.203   5.963
  432   1HG   GLU  54          2HG       GLU  54   5.823   5.887   5.894
  433   2HG   GLU  54          1HG       GLU  54   5.756   6.024   4.137
  434    H    THR  55           H        THR  55   3.159   2.673   6.746
  435    HA   THR  55           HA       THR  55   1.264   1.331   4.948
  436    HB   THR  55           HB       THR  55   1.244  -0.131   7.320
  437    HG1  THR  55           1HG      THR  55   3.915   0.411   6.539
  438   1HG2  THR  55          1HG2      THR  55   2.313  -0.587   4.593
  439   2HG2  THR  55          2HG2      THR  55   1.061  -1.454   5.483
  440   3HG2  THR  55          3HG2      THR  55   2.761  -1.718   5.869
  441    H    ALA  56           H        ALA  56  -0.845   1.364   5.404
  442    HA   ALA  56           HA       ALA  56  -1.810   2.409   7.927
  443   1HB   ALA  56          1HB       ALA  56  -1.176   4.365   6.421
  444   2HB   ALA  56          2HB       ALA  56  -2.787   4.380   7.143
  445   3HB   ALA  56          3HB       ALA  56  -2.579   3.913   5.454
  446    H    PHE  57           H        PHE  57  -4.270   2.558   7.902
  447    HA   PHE  57           HA       PHE  57  -5.321   0.346   6.274
  448   1HB   PHE  57          2HB       PHE  57  -6.182   1.326   9.001
  449   2HB   PHE  57          1HB       PHE  57  -7.000   0.059   8.092
  450    HD1  PHE  57           1HD      PHE  57  -3.783   0.962   9.687
  451    HD2  PHE  57           2HD      PHE  57  -6.255  -2.155   8.178
  452    HE1  PHE  57           1HE      PHE  57  -2.259  -0.710  10.654
  453    HE2  PHE  57           2HE      PHE  57  -4.737  -3.831   9.143
  454    HZ   PHE  57           HZ       PHE  57  -2.735  -3.111  10.385
  455    H    LEU  58           H        LEU  58  -6.890   0.771   4.859
  456    HA   LEU  58           HA       LEU  58  -8.598   3.113   5.281
  457   1HB   LEU  58          2HB       LEU  58  -7.043   2.488   2.777
  458   2HB   LEU  58          1HB       LEU  58  -8.401   3.597   2.810
  459    HG   LEU  58           HG       LEU  58  -6.947   4.708   4.753
  460   1HD1  LEU  58          1HD1      LEU  58  -4.669   4.119   3.014
  461   2HD1  LEU  58          2HD1      LEU  58  -5.219   2.750   3.980
  462   3HD1  LEU  58          3HD1      LEU  58  -4.755   4.256   4.770
  463   1HD2  LEU  58          1HD2      LEU  58  -7.574   6.109   3.046
  464   2HD2  LEU  58          2HD2      LEU  58  -6.912   5.058   1.793
  465   3HD2  LEU  58          3HD2      LEU  58  -5.831   6.031   2.790
  466    H    GLY  59           H        GLY  59 -10.567   3.078   3.952
  467   1HA   GLY  59          2HA       GLY  59 -11.536   0.334   3.698
  468   2HA   GLY  59          1HA       GLY  59 -12.525   1.784   3.748
  469    HA   PRO  60           HA       PRO  60 -12.028   0.143  -0.669
  470   1HB   PRO  60          2HB       PRO  60 -14.696  -0.210  -1.135
  471   2HB   PRO  60          1HB       PRO  60 -13.636  -1.481  -0.516
  472   1HG   PRO  60          2HG       PRO  60 -15.513   0.313   0.974
  473   2HG   PRO  60          1HG       PRO  60 -15.227  -1.426   1.177
  474   1HD   PRO  60          2HD       PRO  60 -14.139   0.405   2.830
  475   2HD   PRO  60          1HD       PRO  60 -13.291  -1.093   2.396
  476    H    LYS  61           H        LYS  61 -14.129   2.457   0.935
  477    HA   LYS  61           HA       LYS  61 -14.902   3.877  -1.399
  478   1HB   LYS  61          2HB       LYS  61 -14.735   4.996   1.397
  479   2HB   LYS  61          1HB       LYS  61 -15.777   5.532   0.085
  480   1HG   LYS  61          2HG       LYS  61 -16.352   2.810   0.505
  481   2HG   LYS  61          1HG       LYS  61 -16.270   3.567   2.097
  482   1HD   LYS  61          2HD       LYS  61 -17.982   5.077   1.595
  483   2HD   LYS  61          1HD       LYS  61 -17.817   4.828  -0.144
  484   1HE   LYS  61          2HE       LYS  61 -19.225   3.093  -0.131
  485   2HE   LYS  61          1HE       LYS  61 -18.462   2.378   1.288
  486   1HZ   LYS  61          1HZ       LYS  61 -19.701   4.250   2.534
  487   2HZ   LYS  61          2HZ       LYS  61 -20.561   2.879   2.046
  488   3HZ   LYS  61          3HZ       LYS  61 -20.677   4.311   1.153
  489    H    ASP  62           H        ASP  62 -12.077   3.885   0.598
  490    HA   ASP  62           HA       ASP  62 -11.125   6.381  -0.601
  491   1HB   ASP  62          2HB       ASP  62 -10.326   4.776   1.796
  492   2HB   ASP  62          1HB       ASP  62  -9.152   5.859   1.055
  493    H    LEU  63           H        LEU  63 -11.177   3.302  -1.552
  494    HA   LEU  63           HA       LEU  63  -8.433   3.357  -2.607
  495   1HB   LEU  63          2HB       LEU  63 -10.272   1.001  -2.183
  496   2HB   LEU  63          1HB       LEU  63  -8.681   0.914  -2.916
  497    HG   LEU  63           HG       LEU  63  -9.077   1.952  -0.121
  498   1HD1  LEU  63          1HD1      LEU  63  -8.117  -0.807  -0.469
  499   2HD1  LEU  63          2HD1      LEU  63  -9.832  -0.550  -0.789
  500   3HD1  LEU  63          3HD1      LEU  63  -9.151  -0.109   0.777
  501   1HD2  LEU  63          1HD2      LEU  63  -6.905   2.010  -1.771
  502   2HD2  LEU  63          2HD2      LEU  63  -6.640   0.516  -0.873
  503   3HD2  LEU  63          3HD2      LEU  63  -6.842   2.039  -0.008
  504    H    PHE  64           H        PHE  64  -8.100   3.236  -4.780
  505    HA   PHE  64           HA       PHE  64 -10.443   2.882  -6.523
  506   1HB   PHE  64          2HB       PHE  64  -8.344   5.009  -6.988
  507   2HB   PHE  64          1HB       PHE  64  -9.849   4.779  -7.867
  508    HD1  PHE  64           1HD      PHE  64  -8.758   5.301  -4.327
  509    HD2  PHE  64           2HD      PHE  64 -11.511   6.281  -7.422
  510    HE1  PHE  64           1HE      PHE  64  -9.880   6.888  -2.821
  511    HE2  PHE  64           2HE      PHE  64 -12.637   7.871  -5.920
  512    HZ   PHE  64           HZ       PHE  64 -11.822   8.176  -3.616
  513    HA   PRO  65           HA       PRO  65  -7.800   0.258  -8.900
  514   1HB   PRO  65          2HB       PRO  65  -8.990   1.261 -11.386
  515   2HB   PRO  65          1HB       PRO  65  -9.098  -0.345 -10.667
  516   1HG   PRO  65          2HG       PRO  65 -11.204   1.341 -10.746
  517   2HG   PRO  65          1HG       PRO  65 -10.956   0.192  -9.420
  518   1HD   PRO  65          2HD       PRO  65 -10.402   3.132  -9.510
  519   2HD   PRO  65          1HD       PRO  65 -11.083   2.151  -8.194
  520    H    TYR  66           H        TYR  66  -5.719   0.845  -8.995
  521    HA   TYR  66           HA       TYR  66  -4.661   3.293  -9.662
  522   1HB   TYR  66          2HB       TYR  66  -3.359   1.571  -8.543
  523   2HB   TYR  66          1HB       TYR  66  -3.386   0.572  -9.993
  524    HD1  TYR  66           1HD      TYR  66  -2.004   3.627  -8.470
  525    HD2  TYR  66           2HD      TYR  66  -1.916   1.025 -11.837
  526    HE1  TYR  66           1HE      TYR  66   0.058   4.715  -9.253
  527    HE2  TYR  66           2HE      TYR  66   0.141   2.108 -12.632
  528    HH   TYR  66           HH       TYR  66   1.200   5.008 -11.627
  529    H    GLU  67           H        GLU  67  -4.660   0.452 -11.829
  530    HA   GLU  67           HA       GLU  67  -3.607   1.615 -14.080
  531   1HB   GLU  67          2HB       GLU  67  -5.802  -0.457 -13.924
  532   2HB   GLU  67          1HB       GLU  67  -4.904  -0.070 -15.385
  533   1HG   GLU  67          2HG       GLU  67  -3.596  -1.766 -14.749
  534   2HG   GLU  67          1HG       GLU  67  -2.877  -0.570 -13.672
  535    H    GLU  68           H        GLU  68  -6.982   1.658 -13.058
  536    HA   GLU  68           HA       GLU  68  -7.942   3.036 -15.341
  537   1HB   GLU  68          2HB       GLU  68  -9.161   2.652 -12.613
  538   2HB   GLU  68          1HB       GLU  68 -10.000   3.373 -13.976
  539   1HG   GLU  68          2HG       GLU  68  -9.623   1.261 -15.239
  540   2HG   GLU  68          1HG       GLU  68  -8.972   0.555 -13.761
  541    H    SER  69           H        SER  69  -6.904   4.119 -12.136
  542    HA   SER  69           HA       SER  69  -7.495   6.879 -12.951
  543   1HB   SER  69          2HB       SER  69  -6.567   6.611 -10.220
  544   2HB   SER  69          1HB       SER  69  -8.086   7.265 -10.831
  545    HG   SER  69           HG       SER  69  -8.990   5.506 -10.165
  546    H    LYS  70           H        LYS  70  -4.962   4.970 -13.380
  547    HA   LYS  70           HA       LYS  70  -2.782   6.180 -12.157
  548   1HB   LYS  70          2HB       LYS  70  -1.431   5.261 -13.977
  549   2HB   LYS  70          1HB       LYS  70  -2.607   4.089 -13.400
  550   1HG   LYS  70          2HG       LYS  70  -4.073   4.837 -15.333
  551   2HG   LYS  70          1HG       LYS  70  -2.640   5.656 -15.956
  552   1HD   LYS  70          2HD       LYS  70  -2.251   2.852 -15.137
  553   2HD   LYS  70          1HD       LYS  70  -3.294   3.099 -16.540
  554   1HE   LYS  70          2HE       LYS  70  -1.410   4.641 -17.388
  555   2HE   LYS  70          1HE       LYS  70  -0.413   3.840 -16.175
  556   1HZ   LYS  70          1HZ       LYS  70  -1.373   2.854 -18.704
  557   2HZ   LYS  70          2HZ       LYS  70  -1.595   1.765 -17.430
  558   3HZ   LYS  70          3HZ       LYS  70  -0.048   2.352 -17.779
  559    H    GLU  71           H        GLU  71  -4.291   6.976 -15.270
  560    HA   GLU  71           HA       GLU  71  -2.523   9.121 -15.854
  561   1HB   GLU  71          2HB       GLU  71  -5.269   8.483 -16.938
  562   2HB   GLU  71          1HB       GLU  71  -4.197   9.711 -17.597
  563   1HG   GLU  71          2HG       GLU  71  -2.683   7.358 -17.464
  564   2HG   GLU  71          1HG       GLU  71  -4.261   6.892 -18.095
  565    H    LYS  72           H        LYS  72  -5.387   8.877 -13.914
  566    HA   LYS  72           HA       LYS  72  -5.922  11.716 -13.962
  567   1HB   LYS  72          2HB       LYS  72  -7.120   9.609 -12.166
  568   2HB   LYS  72          1HB       LYS  72  -7.758  11.218 -12.483
  569   1HG   LYS  72          2HG       LYS  72  -8.187  10.621 -14.793
  570   2HG   LYS  72          1HG       LYS  72  -7.482   9.025 -14.529
  571   1HD   LYS  72          2HD       LYS  72  -9.736   8.580 -14.312
  572   2HD   LYS  72          1HD       LYS  72  -9.266   8.860 -12.634
  573   1HE   LYS  72          2HE       LYS  72 -10.384  10.839 -12.508
  574   2HE   LYS  72          1HE       LYS  72 -10.135  11.212 -14.212
  575   1HZ   LYS  72          1HZ       LYS  72 -12.069   9.237 -13.125
  576   2HZ   LYS  72          2HZ       LYS  72 -11.813   9.547 -14.768
  577   3HZ   LYS  72          3HZ       LYS  72 -12.451  10.754 -13.769
  578    H    PHE  73           H        PHE  73  -4.761   9.372 -11.538
  579    HA   PHE  73           HA       PHE  73  -4.016  11.645  -9.836
  580   1HB   PHE  73          2HB       PHE  73  -4.219   8.727  -9.085
  581   2HB   PHE  73          1HB       PHE  73  -3.970  10.081  -7.986
  582    HD1  PHE  73           1HD      PHE  73  -5.785  11.193  -7.050
  583    HD2  PHE  73           2HD      PHE  73  -6.389   8.673 -10.425
  584    HE1  PHE  73           1HE      PHE  73  -8.220  11.429  -6.789
  585    HE2  PHE  73           2HE      PHE  73  -8.825   8.904 -10.164
  586    HZ   PHE  73           HZ       PHE  73  -9.742  10.282  -8.344
  587    H    GLY  74           H        GLY  74  -2.539   9.743 -12.088
  588   1HA   GLY  74          2HA       GLY  74  -0.081   9.288 -10.607
  589   2HA   GLY  74          1HA       GLY  74  -0.382   8.860 -12.283
  590    H    LYS  75           H        LYS  75   0.137  11.675 -10.166
  591    HA   LYS  75           HA       LYS  75   1.910  12.808 -12.169
  592   1HB   LYS  75          2HB       LYS  75  -0.632  14.111 -11.229
  593   2HB   LYS  75          1HB       LYS  75   0.722  15.068 -11.810
  594   1HG   LYS  75          2HG       LYS  75  -0.452  12.856 -13.455
  595   2HG   LYS  75          1HG       LYS  75  -1.132  14.484 -13.463
  596   1HD   LYS  75          2HD       LYS  75   0.993  15.399 -14.193
  597   2HD   LYS  75          1HD       LYS  75   1.737  13.800 -14.104
  598   1HE   LYS  75          2HE       LYS  75  -0.306  13.226 -15.727
  599   2HE   LYS  75          1HE       LYS  75  -0.112  14.933 -16.122
  600   1HZ   LYS  75          1HZ       LYS  75   2.301  14.417 -16.481
  601   2HZ   LYS  75          2HZ       LYS  75   1.243  13.731 -17.608
  602   3HZ   LYS  75          3HZ       LYS  75   1.902  12.776 -16.378
  603    HA   PRO  76           HA       PRO  76   4.369  14.138  -8.772
  604   1HB   PRO  76          2HB       PRO  76   4.787  16.820  -9.384
  605   2HB   PRO  76          1HB       PRO  76   5.737  15.469 -10.005
  606   1HG   PRO  76          2HG       PRO  76   3.481  16.947 -11.283
  607   2HG   PRO  76          1HG       PRO  76   4.969  16.319 -12.015
  608   1HD   PRO  76          2HD       PRO  76   2.632  15.054 -12.326
  609   2HD   PRO  76          1HD       PRO  76   4.146  14.146 -12.118
  610    H    ASN  77           H        ASN  77   4.290  15.234  -6.802
  611    HA   ASN  77           HA       ASN  77   1.891  16.885  -6.342
  612   1HB   ASN  77          2HB       ASN  77   1.945  14.334  -5.534
  613   2HB   ASN  77          1HB       ASN  77   2.754  15.070  -4.154
  614   1HD2  ASN  77          1HD2      ASN  77  -0.105  15.432  -6.205
  615   2HD2  ASN  77          2HD2      ASN  77  -1.157  15.966  -4.945
  616    H    LYS  78           H        LYS  78   1.959  18.068  -4.255
  617    HA   LYS  78           HA       LYS  78   4.547  19.343  -3.981
  618   1HB   LYS  78          2HB       LYS  78   2.357  20.601  -4.150
  619   2HB   LYS  78          1HB       LYS  78   1.991  20.026  -2.530
  620   1HG   LYS  78          2HG       LYS  78   2.849  22.215  -2.305
  621   2HG   LYS  78          1HG       LYS  78   4.122  21.115  -1.769
  622   1HD   LYS  78          2HD       LYS  78   5.390  21.453  -3.703
  623   2HD   LYS  78          1HD       LYS  78   4.017  22.105  -4.599
  624   1HE   LYS  78          2HE       LYS  78   4.336  24.185  -3.811
  625   2HE   LYS  78          1HE       LYS  78   4.718  23.616  -2.187
  626   1HZ   LYS  78          1HZ       LYS  78   6.742  23.012  -4.147
  627   2HZ   LYS  78          2HZ       LYS  78   6.899  23.682  -2.602
  628   3HZ   LYS  78          3HZ       LYS  78   6.497  24.670  -3.915
  629    H    ARG  79           H        ARG  79   2.735  16.929  -2.373
  630    HA   ARG  79           HA       ARG  79   3.665  17.331   0.269
  631   1HB   ARG  79          2HB       ARG  79   2.347  15.127  -1.228
  632   2HB   ARG  79          1HB       ARG  79   3.184  14.698   0.259
  633   1HG   ARG  79          2HG       ARG  79   1.068  15.096   1.032
  634   2HG   ARG  79          1HG       ARG  79   1.817  16.679   1.264
  635   1HD   ARG  79          2HD       ARG  79   0.899  17.338  -0.972
  636   2HD   ARG  79          1HD       ARG  79   0.011  15.816  -0.989
  637    HE   ARG  79           HE       ARG  79  -1.459  16.681   0.552
  638   1HH1  ARG  79          1HH1      ARG  79   1.309  18.792   0.288
  639   2HH1  ARG  79          2HH1      ARG  79   0.583  20.063   1.212
  640   1HH2  ARG  79          1HH2      ARG  79  -2.414  18.354   1.765
  641   2HH2  ARG  79          2HH2      ARG  79  -1.529  19.815   2.050
  642    H    LYS  80           H        LYS  80   5.195  16.304  -2.546
  643    HA   LYS  80           HA       LYS  80   7.265  15.529  -3.012
  644   1HB   LYS  80          2HB       LYS  80   7.830  16.085  -0.096
  645   2HB   LYS  80          1HB       LYS  80   9.032  15.823  -1.354
  646   1HG   LYS  80          2HG       LYS  80   7.174  18.155  -1.016
  647   2HG   LYS  80          1HG       LYS  80   8.937  18.148  -1.014
  648   1HD   LYS  80          2HD       LYS  80   7.299  17.372  -3.429
  649   2HD   LYS  80          1HD       LYS  80   7.825  19.028  -3.113
  650   1HE   LYS  80          2HE       LYS  80   9.589  16.613  -3.498
  651   2HE   LYS  80          1HE       LYS  80   9.385  17.963  -4.614
  652   1HZ   LYS  80          1HZ       LYS  80  10.859  17.850  -2.082
  653   2HZ   LYS  80          2HZ       LYS  80  10.171  19.324  -2.544
  654   3HZ   LYS  80          3HZ       LYS  80  11.297  18.564  -3.553
  655    H    GLY  81           H        GLY  81   8.356  13.603  -3.056
  656   1HA   GLY  81          2HA       GLY  81   8.876  11.409  -2.391
  657   2HA   GLY  81          1HA       GLY  81   7.766  11.583  -1.038
  658    H    PHE  82           H        PHE  82   5.770  12.692  -3.139
  659    HA   PHE  82           HA       PHE  82   4.236  10.383  -3.460
  660   1HB   PHE  82          2HB       PHE  82   3.290  12.629  -3.547
  661   2HB   PHE  82          1HB       PHE  82   4.189  12.977  -5.020
  662    HD1  PHE  82           1HD      PHE  82   3.635  11.719  -7.109
  663    HD2  PHE  82           2HD      PHE  82   1.219  11.541  -3.612
  664    HE1  PHE  82           1HE      PHE  82   1.760  10.871  -8.455
  665    HE2  PHE  82           2HE      PHE  82  -0.659  10.693  -4.949
  666    HZ   PHE  82           HZ       PHE  82  -0.394  10.354  -7.373
  667    H    SER  83           H        SER  83   6.138  12.159  -5.893
  668    HA   SER  83           HA       SER  83   5.727  10.492  -8.056
  669   1HB   SER  83          2HB       SER  83   8.288  11.281  -8.498
  670   2HB   SER  83          1HB       SER  83   6.877  12.297  -8.794
  671    HG   SER  83           HG       SER  83   8.048  13.552  -7.505
  672    H    GLU  84           H        GLU  84   8.244  10.250  -5.556
  673    HA   GLU  84           HA       GLU  84   9.742   8.167  -6.537
  674   1HB   GLU  84          2HB       GLU  84  10.158   9.435  -4.408
  675   2HB   GLU  84          1HB       GLU  84   8.917   8.451  -3.643
  676   1HG   GLU  84          2HG       GLU  84  10.566   7.074  -3.086
  677   2HG   GLU  84          1HG       GLU  84  10.563   6.574  -4.777
  678    H    GLY  85           H        GLY  85   6.542   8.084  -5.133
  679   1HA   GLY  85          2HA       GLY  85   6.433   5.245  -4.814
  680   2HA   GLY  85          1HA       GLY  85   5.068   6.351  -4.769
  681    H    LEU  86           H        LEU  86   5.665   7.485  -7.400
  682    HA   LEU  86           HA       LEU  86   4.097   5.785  -8.992
  683   1HB   LEU  86          2HB       LEU  86   5.884   8.118  -9.628
  684   2HB   LEU  86          1HB       LEU  86   5.057   7.238 -10.898
  685    HG   LEU  86           HG       LEU  86   3.760   8.742  -8.626
  686   1HD1  LEU  86          1HD1      LEU  86   3.510  10.468 -10.019
  687   2HD1  LEU  86          2HD1      LEU  86   3.083   9.429 -11.378
  688   3HD1  LEU  86          3HD1      LEU  86   4.778   9.710 -10.982
  689   1HD2  LEU  86          1HD2      LEU  86   1.665   8.213  -9.992
  690   2HD2  LEU  86          2HD2      LEU  86   2.342   6.920  -9.001
  691   3HD2  LEU  86          3HD2      LEU  86   2.629   6.940 -10.742
  692    H    TRP  87           H        TRP  87   7.594   6.299  -8.855
  693    HA   TRP  87           HA       TRP  87   8.282   4.596 -10.998
  694   1HB   TRP  87          2HB       TRP  87   9.855   6.237 -10.130
  695   2HB   TRP  87          1HB       TRP  87   9.878   5.435  -8.562
  696    HD1  TRP  87           HD       TRP  87  11.406   5.281 -12.014
  697    HE1  TRP  87           1HE      TRP  87  13.202   3.442 -12.075
  698    HE3  TRP  87           3HE      TRP  87  10.474   3.087  -7.488
  699    HZ2  TRP  87           2HZ      TRP  87  14.102   1.333 -10.425
  700    HZ3  TRP  87           3HZ      TRP  87  11.848   1.164  -6.806
  701    HH2  TRP  87           HH       TRP  87  13.624   0.306  -8.244
  702    H    GLU  88           H        GLU  88   8.072   4.004  -7.486
  703    HA   GLU  88           HA       GLU  88   8.999   1.357  -7.544
  704   1HB   GLU  88          2HB       GLU  88   7.922   3.173  -5.617
  705   2HB   GLU  88          1HB       GLU  88   7.119   1.621  -5.432
  706   1HG   GLU  88          2HG       GLU  88   8.857   0.954  -4.241
  707   2HG   GLU  88          1HG       GLU  88   9.810   0.990  -5.724
  708    H    ILE  89           H        ILE  89   5.633   2.574  -7.504
  709    HA   ILE  89           HA       ILE  89   4.315   0.159  -7.495
  710    HB   ILE  89           HB       ILE  89   3.233   2.372  -7.297
  711   1HG1  ILE  89          2HG1      ILE  89   1.529   1.450  -9.389
  712   2HG1  ILE  89          1HG1      ILE  89   2.247   0.045  -8.605
  713   1HG2  ILE  89          1HG2      ILE  89   4.011   3.793  -8.894
  714   2HG2  ILE  89          2HG2      ILE  89   2.498   3.294  -9.649
  715   3HG2  ILE  89          3HG2      ILE  89   4.020   2.561 -10.155
  716   1HD1  ILE  89          1HD1      ILE  89   1.518   1.699  -6.513
  717   2HD1  ILE  89          2HD1      ILE  89   0.677   0.246  -7.062
  718   3HD1  ILE  89          3HD1      ILE  89   0.190   1.830  -7.667
  719    H    GLU  90           H        GLU  90   6.040   1.670 -10.104
  720    HA   GLU  90           HA       GLU  90   4.981  -0.260 -12.031
  721   1HB   GLU  90          2HB       GLU  90   6.122   2.427 -12.195
  722   2HB   GLU  90          1HB       GLU  90   6.736   1.332 -13.426
  723   1HG   GLU  90          2HG       GLU  90   4.786   1.268 -14.527
  724   2HG   GLU  90          1HG       GLU  90   3.829   1.258 -13.047
  725    H    ASN  91           H        ASN  91   8.110   0.830 -10.730
  726    HA   ASN  91           HA       ASN  91   9.555  -1.159 -12.222
  727   1HB   ASN  91          2HB       ASN  91  10.246   1.069 -10.409
  728   2HB   ASN  91          1HB       ASN  91  11.370  -0.285 -10.414
  729   1HD2  ASN  91          1HD2      ASN  91   9.963   2.284 -12.278
  730   2HD2  ASN  91          2HD2      ASN  91  11.087   2.222 -13.589
  731    H    ASN  92           H        ASN  92   8.294  -0.874  -8.961
  732    HA   ASN  92           HA       ASN  92   8.768  -3.690  -8.546
  733   1HB   ASN  92          2HB       ASN  92  10.796  -2.079  -7.742
  734   2HB   ASN  92          1HB       ASN  92   9.800  -2.084  -6.289
  735   1HD2  ASN  92          1HD2      ASN  92  11.697  -3.158  -5.385
  736   2HD2  ASN  92          2HD2      ASN  92  11.843  -4.870  -5.554
  737    HA   PRO  93           HA       PRO  93   4.931  -2.234  -6.512
  738   1HB   PRO  93          2HB       PRO  93   3.359  -4.255  -7.316
  739   2HB   PRO  93          1HB       PRO  93   3.754  -2.903  -8.385
  740   1HG   PRO  93          2HG       PRO  93   4.934  -5.651  -8.291
  741   2HG   PRO  93          1HG       PRO  93   4.479  -4.675  -9.700
  742   1HD   PRO  93          2HD       PRO  93   7.047  -4.908  -8.767
  743   2HD   PRO  93          1HD       PRO  93   6.450  -3.508  -9.677
  744    H    THR  94           H        THR  94   6.897  -5.024  -6.219
  745    HA   THR  94           HA       THR  94   5.390  -5.984  -3.897
  746    HB   THR  94           HB       THR  94   7.086  -7.908  -4.055
  747    HG1  THR  94           1HG      THR  94   7.999  -8.119  -6.151
  748   1HG2  THR  94          1HG2      THR  94   5.913  -9.042  -5.840
  749   2HG2  THR  94          2HG2      THR  94   5.227  -7.511  -6.386
  750   3HG2  THR  94          3HG2      THR  94   4.780  -8.166  -4.811
  751    H    VAL  95           H        VAL  95   7.512  -3.651  -4.266
  752    HA   VAL  95           HA       VAL  95   9.710  -4.279  -2.649
  753    HB   VAL  95           HB       VAL  95   9.624  -2.280  -4.076
  754   1HG1  VAL  95          1HG1      VAL  95   7.786  -1.029  -4.038
  755   2HG1  VAL  95          2HG1      VAL  95   8.363  -0.363  -2.510
  756   3HG1  VAL  95          3HG1      VAL  95   7.256  -1.735  -2.512
  757   1HG2  VAL  95          1HG2      VAL  95  10.009  -1.021  -1.453
  758   2HG2  VAL  95          2HG2      VAL  95  11.132  -1.208  -2.800
  759   3HG2  VAL  95          3HG2      VAL  95  10.870  -2.544  -1.678
  760    H    LYS  96           H        LYS  96  10.132  -4.025  -0.482
  761    HA   LYS  96           HA       LYS  96   7.993  -3.144   1.289
  762   1HB   LYS  96          2HB       LYS  96   8.702  -5.918   0.873
  763   2HB   LYS  96          1HB       LYS  96   8.976  -5.448   2.544
  764   1HG   LYS  96          2HG       LYS  96   6.415  -4.575   1.398
  765   2HG   LYS  96          1HG       LYS  96   6.617  -6.318   1.575
  766   1HD   LYS  96          2HD       LYS  96   7.564  -5.378   3.966
  767   2HD   LYS  96          1HD       LYS  96   6.256  -4.247   3.611
  768   1HE   LYS  96          2HE       LYS  96   5.484  -6.985   3.066
  769   2HE   LYS  96          1HE       LYS  96   6.019  -6.780   4.733
  770   1HZ   LYS  96          1HZ       LYS  96   4.440  -4.633   4.377
  771   2HZ   LYS  96          2HZ       LYS  96   3.933  -6.093   5.066
  772   3HZ   LYS  96          3HZ       LYS  96   3.647  -5.787   3.427
  773    H    ALA  97           H        ALA  97   8.918  -1.666   2.530
  774    HA   ALA  97           HA       ALA  97  11.763  -1.783   3.102
  775   1HB   ALA  97          1HB       ALA  97  11.663   0.445   3.471
  776   2HB   ALA  97          2HB       ALA  97  10.114   0.347   4.308
  777   3HB   ALA  97          3HB       ALA  97  10.169   0.301   2.545
  778    H    SER  98           H        SER  98   8.921  -1.097   5.146
  779    HA   SER  98           HA       SER  98  10.218  -1.748   7.558
  780   1HB   SER  98          2HB       SER  98   7.976  -1.682   8.563
  781   2HB   SER  98          1HB       SER  98   8.215  -0.322   7.464
  782    HG   SER  98           HG       SER  98   7.085  -1.580   5.869
  783    H    GLY  99           H        GLY  99   8.828  -3.451   9.029
  784   1HA   GLY  99          2HA       GLY  99   8.043  -5.870   7.807
  785   2HA   GLY  99          1HA       GLY  99   9.739  -5.978   8.255
  786    H    TYR 100           H        TYR 100   9.776  -4.585  10.630
  787    HA   TYR 100           HA       TYR 100   9.479  -4.888  12.864
  788   1HB   TYR 100          2HB       TYR 100   6.783  -4.958  11.703
  789   2HB   TYR 100          1HB       TYR 100   6.905  -5.743  13.273
  790    HD1  TYR 100           1HD      TYR 100   7.392  -4.467  15.267
  791    HD2  TYR 100           2HD      TYR 100   7.176  -2.569  11.467
  792    HE1  TYR 100           1HE      TYR 100   7.281  -2.278  16.374
  793    HE2  TYR 100           2HE      TYR 100   7.066  -0.374  12.562
  794    HH   TYR 100           HH       TYR 100   6.518   0.615  14.661
  795    H    GLN 101           H        GLN 101  10.928  -6.680  12.868
  796    HA   GLN 101           HA       GLN 101   9.619  -9.310  13.052
  797   1HB   GLN 101          2HB       GLN 101  11.936  -8.469  11.669
  798   2HB   GLN 101          1HB       GLN 101  12.488  -9.490  12.990
  799   1HG   GLN 101          2HG       GLN 101  10.265 -10.773  11.815
  800   2HG   GLN 101          1HG       GLN 101  11.320 -10.241  10.507
  801   1HE2  GLN 101          1HE2      GLN 101  12.101 -11.312  13.785
  802   2HE2  GLN 101          2HE2      GLN 101  13.085 -12.648  13.304
  803    H    SER 102           H        SER 102   8.976  -9.241  15.189
  804    HA   SER 102           HA       SER 102  11.165  -9.203  17.161
  805   1HB   SER 102          2HB       SER 102   8.336  -8.387  17.808
  806   2HB   SER 102          1HB       SER 102   9.802  -8.089  18.741
  807    HG   SER 102           HG       SER 102  10.433  -6.575  17.259
  808    H    SER 103           H        SER 103  11.481 -11.353  17.438
  809    HA   SER 103           HA       SER 103   9.422 -12.822  18.829
  810   1HB   SER 103          2HB       SER 103   9.938 -14.803  17.121
  811   2HB   SER 103          1HB       SER 103   8.640 -13.645  16.831
  812    HG   SER 103           HG       SER 103  11.212 -13.749  15.673
  813    H    GLN 104           H        GLN 104  12.587 -13.018  17.231
  814    HA   GLN 104           HA       GLN 104  13.527 -14.710  19.448
  815   1HB   GLN 104          2HB       GLN 104  14.823 -14.326  16.745
  816   2HB   GLN 104          1HB       GLN 104  15.274 -15.497  17.977
  817   1HG   GLN 104          2HG       GLN 104  13.152 -16.646  17.686
  818   2HG   GLN 104          1HG       GLN 104  12.662 -15.454  16.483
  819   1HE2  GLN 104          1HE2      GLN 104  12.939 -18.324  16.202
  820   2HE2  GLN 104          2HE2      GLN 104  14.092 -18.583  14.942
  821    H    LYS 105           H        LYS 105  16.065 -14.410  19.670
  822    HA   LYS 105           HA       LYS 105  16.424 -11.607  20.378
  823   1HB   LYS 105          2HB       LYS 105  16.974 -13.804  21.795
  824   2HB   LYS 105          1HB       LYS 105  18.518 -13.634  20.971
  825   1HG   LYS 105          2HG       LYS 105  17.345 -11.255  22.319
  826   2HG   LYS 105          1HG       LYS 105  18.094 -12.516  23.300
  827   1HD   LYS 105          2HD       LYS 105  20.182 -12.034  22.564
  828   2HD   LYS 105          1HD       LYS 105  19.628 -11.622  20.941
  829   1HE   LYS 105          2HE       LYS 105  20.118  -9.520  21.588
  830   2HE   LYS 105          1HE       LYS 105  18.531  -9.603  22.351
  831   1HZ   LYS 105          1HZ       LYS 105  20.874 -10.529  23.857
  832   2HZ   LYS 105          2HZ       LYS 105  19.438  -9.836  24.422
  833   3HZ   LYS 105          3HZ       LYS 105  20.618  -8.864  23.700
  834    H    LYS 106           H        LYS 106  17.554 -13.932  18.073
  835    HA   LYS 106           HA       LYS 106  18.946 -13.775  16.281
  836   1HB   LYS 106          2HB       LYS 106  18.721 -10.809  16.821
  837   2HB   LYS 106          1HB       LYS 106  19.411 -11.520  15.369
  838   1HG   LYS 106          2HG       LYS 106  16.819 -12.624  15.780
  839   2HG   LYS 106          1HG       LYS 106  16.717 -10.867  15.894
  840   1HD   LYS 106          2HD       LYS 106  17.784 -10.629  13.735
  841   2HD   LYS 106          1HD       LYS 106  18.026 -12.373  13.631
  842   1HE   LYS 106          2HE       LYS 106  15.257 -11.758  14.135
  843   2HE   LYS 106          1HE       LYS 106  15.834 -10.897  12.708
  844   1HZ   LYS 106          1HZ       LYS 106  16.059 -12.792  11.552
  845   2HZ   LYS 106          2HZ       LYS 106  14.956 -13.413  12.674
  846   3HZ   LYS 106          3HZ       LYS 106  16.613 -13.684  12.879
  847    H    SER 107           H        SER 107  21.138 -12.455  15.615
  848    HA   SER 107           HA       SER 107  23.360 -12.212  16.029
  849   1HB   SER 107          2HB       SER 107  22.199 -10.651  17.884
  850   2HB   SER 107          1HB       SER 107  22.995 -11.808  18.951
  851    HG   SER 107           HG       SER 107  24.584 -10.418  18.621
  852    H    CYS 108           H        CYS 108  24.080 -14.261  15.662
  853    HA   CYS 108           HA       CYS 108  25.012 -16.286  16.108
  854   1HB   CYS 108          2HB       CYS 108  26.325 -15.021  17.760
  855   2HB   CYS 108          1HB       CYS 108  25.060 -15.270  18.958
  856    HG   CYS 108           HG       CYS 108  27.294 -17.096  18.593
  857    H    ALA 109           H        ALA 109  22.855 -17.103  15.522
  858    HA   ALA 109           HA       ALA 109  21.897 -18.911  17.550
  859   1HB   ALA 109          1HB       ALA 109  19.458 -18.008  16.889
  860   2HB   ALA 109          2HB       ALA 109  20.367 -16.499  16.802
  861   3HB   ALA 109          3HB       ALA 109  20.354 -17.436  18.296
  862    H    GLU 110           H        GLU 110  22.239 -20.664  16.297
  863    HA   GLU 110           HA       GLU 110  20.867 -20.749  13.689
  864   1HB   GLU 110          2HB       GLU 110  22.573 -22.529  13.107
  865   2HB   GLU 110          1HB       GLU 110  23.192 -20.890  13.244
  866   1HG   GLU 110          2HG       GLU 110  24.609 -21.472  14.841
  867   2HG   GLU 110          1HG       GLU 110  23.335 -22.256  15.775
  Start of MODEL    5
    1   1H    MET   1          1HT       MET   1 -26.725  -0.844   8.340
    2   2H    MET   1          2HT       MET   1 -28.394  -0.465   8.472
    3   3H    MET   1          3HT       MET   1 -27.221   0.542   9.216
    4    HA   MET   1           HA       MET   1 -28.222   1.355   7.107
    5   1HB   MET   1          2HB       MET   1 -25.950   2.103   6.303
    6   2HB   MET   1          1HB       MET   1 -26.265   2.379   8.010
    7   1HG   MET   1          2HG       MET   1 -24.931   0.478   8.618
    8   2HG   MET   1          1HG       MET   1 -24.715   0.042   6.924
    9   1HE   MET   1          1HE       MET   1 -22.124  -0.136   7.473
   10   2HE   MET   1          2HE       MET   1 -22.305   0.468   9.121
   11   3HE   MET   1          3HE       MET   1 -21.134   1.212   8.032
   12    H    SER   2           H        SER   2 -28.871   0.749   5.151
   13    HA   SER   2           HA       SER   2 -27.285  -1.229   3.669
   14   1HB   SER   2          2HB       SER   2 -30.300  -1.305   3.674
   15   2HB   SER   2          1HB       SER   2 -29.176  -2.533   3.094
   16    HG   SER   2           HG       SER   2 -30.110  -3.017   5.160
   17    H    ARG   3           H        ARG   3 -26.544  -0.053   2.014
   18    HA   ARG   3           HA       ARG   3 -28.502   1.244   0.274
   19   1HB   ARG   3          2HB       ARG   3 -25.939   2.637   1.043
   20   2HB   ARG   3          1HB       ARG   3 -27.271   3.285   0.095
   21   1HG   ARG   3          2HG       ARG   3 -28.567   2.693   2.376
   22   2HG   ARG   3          1HG       ARG   3 -26.959   3.042   3.012
   23   1HD   ARG   3          2HD       ARG   3 -27.547   5.034   1.097
   24   2HD   ARG   3          1HD       ARG   3 -28.975   4.858   2.114
   25    HE   ARG   3           HE       ARG   3 -26.507   6.045   2.848
   26   1HH1  ARG   3          1HH1      ARG   3 -29.110   4.097   4.112
   27   2HH1  ARG   3          2HH1      ARG   3 -28.880   4.625   5.745
   28   1HH2  ARG   3          1HH2      ARG   3 -26.201   6.741   4.996
   29   2HH2  ARG   3          2HH2      ARG   3 -27.229   6.126   6.247
   30    H    SER   4           H        SER   4 -28.250  -0.113  -1.416
   31    HA   SER   4           HA       SER   4 -27.316  -1.108  -3.235
   32   1HB   SER   4          2HB       SER   4 -25.205   1.015  -2.792
   33   2HB   SER   4          1HB       SER   4 -25.305  -0.008  -4.225
   34    HG   SER   4           HG       SER   4 -27.418   0.870  -4.564
   35    H    ASN   5           H        ASN   5 -26.765  -3.143  -2.755
   36    HA   ASN   5           HA       ASN   5 -24.467  -3.700  -1.067
   37   1HB   ASN   5          2HB       ASN   5 -25.188  -6.083  -1.350
   38   2HB   ASN   5          1HB       ASN   5 -26.424  -5.037  -0.655
   39   1HD2  ASN   5          1HD2      ASN   5 -25.364  -6.642  -3.587
   40   2HD2  ASN   5          2HD2      ASN   5 -26.915  -6.690  -4.346
   41    H    ARG   6           H        ARG   6 -23.170  -5.746  -1.879
   42    HA   ARG   6           HA       ARG   6 -21.571  -6.534  -3.290
   43   1HB   ARG   6          2HB       ARG   6 -23.690  -6.964  -4.660
   44   2HB   ARG   6          1HB       ARG   6 -23.256  -5.530  -5.576
   45   1HG   ARG   6          2HG       ARG   6 -21.243  -6.530  -6.347
   46   2HG   ARG   6          1HG       ARG   6 -21.424  -7.889  -5.237
   47   1HD   ARG   6          2HD       ARG   6 -23.387  -7.246  -7.430
   48   2HD   ARG   6          1HD       ARG   6 -22.039  -8.366  -7.624
   49    HE   ARG   6           HE       ARG   6 -24.510  -8.860  -6.270
   50   1HH1  ARG   6          1HH1      ARG   6 -21.127  -9.712  -6.375
   51   2HH1  ARG   6          2HH1      ARG   6 -21.369 -11.273  -5.665
   52   1HH2  ARG   6          1HH2      ARG   6 -24.830 -10.914  -5.334
   53   2HH2  ARG   6          2HH2      ARG   6 -23.470 -11.955  -5.074
   54    H    GLN   7           H        GLN   7 -19.703  -5.484  -3.273
   55    HA   GLN   7           HA       GLN   7 -19.477  -3.007  -4.840
   56   1HB   GLN   7          2HB       GLN   7 -19.108  -3.333  -1.997
   57   2HB   GLN   7          1HB       GLN   7 -17.603  -2.821  -2.747
   58   1HG   GLN   7          2HG       GLN   7 -19.718  -1.264  -3.832
   59   2HG   GLN   7          1HG       GLN   7 -19.865  -1.263  -2.076
   60   1HE2  GLN   7          1HE2      GLN   7 -17.769  -0.511  -4.773
   61   2HE2  GLN   7          2HE2      GLN   7 -16.741   0.584  -3.920
   62    H    LYS   8           H        LYS   8 -16.918  -2.464  -4.843
   63    HA   LYS   8           HA       LYS   8 -15.751  -4.686  -6.270
   64   1HB   LYS   8          2HB       LYS   8 -15.620  -2.205  -6.922
   65   2HB   LYS   8          1HB       LYS   8 -14.392  -2.068  -5.671
   66   1HG   LYS   8          2HG       LYS   8 -13.538  -4.238  -7.114
   67   2HG   LYS   8          1HG       LYS   8 -14.219  -3.184  -8.354
   68   1HD   LYS   8          2HD       LYS   8 -12.726  -1.529  -6.633
   69   2HD   LYS   8          1HD       LYS   8 -11.732  -2.955  -6.939
   70   1HE   LYS   8          2HE       LYS   8 -12.943  -1.091  -8.972
   71   2HE   LYS   8          1HE       LYS   8 -11.233  -1.322  -8.615
   72   1HZ   LYS   8          1HZ       LYS   8 -13.087  -3.163  -9.997
   73   2HZ   LYS   8          2HZ       LYS   8 -11.642  -3.720  -9.319
   74   3HZ   LYS   8          3HZ       LYS   8 -11.606  -2.551 -10.540
   75    H    GLU   9           H        GLU   9 -14.564  -6.202  -5.344
   76    HA   GLU   9           HA       GLU   9 -13.380  -5.702  -2.719
   77   1HB   GLU   9          2HB       GLU   9 -12.976  -8.195  -2.761
   78   2HB   GLU   9          1HB       GLU   9 -14.663  -7.702  -2.783
   79   1HG   GLU   9          2HG       GLU   9 -14.843  -8.168  -5.116
   80   2HG   GLU   9          1HG       GLU   9 -13.107  -8.442  -5.246
   81    H    TYR  10           H        TYR  10 -11.202  -5.924  -2.284
   82    HA   TYR  10           HA       TYR  10  -9.444  -6.032  -4.652
   83   1HB   TYR  10          2HB       TYR  10  -9.004  -4.621  -2.009
   84   2HB   TYR  10          1HB       TYR  10  -7.860  -4.660  -3.346
   85    HD1  TYR  10           1HD      TYR  10 -11.057  -3.301  -2.165
   86    HD2  TYR  10           2HD      TYR  10  -8.208  -3.319  -5.323
   87    HE1  TYR  10           1HE      TYR  10 -12.128  -1.312  -3.133
   88    HE2  TYR  10           2HE      TYR  10  -9.270  -1.327  -6.300
   89    HH   TYR  10           HH       TYR  10 -11.326   0.637  -4.689
   90    H    LYS  11           H        LYS  11  -7.320  -7.002  -4.347
   91    HA   LYS  11           HA       LYS  11  -7.191  -8.899  -2.112
   92   1HB   LYS  11          2HB       LYS  11  -6.772  -9.511  -5.036
   93   2HB   LYS  11          1HB       LYS  11  -6.256 -10.584  -3.743
   94   1HG   LYS  11          2HG       LYS  11  -9.098  -9.671  -3.927
   95   2HG   LYS  11          1HG       LYS  11  -8.511 -11.020  -4.902
   96   1HD   LYS  11          2HD       LYS  11  -7.707 -12.093  -2.794
   97   2HD   LYS  11          1HD       LYS  11  -8.502 -10.800  -1.894
   98   1HE   LYS  11          2HE       LYS  11  -9.991 -12.653  -1.924
   99   2HE   LYS  11          1HE       LYS  11 -10.638 -11.450  -3.037
  100   1HZ   LYS  11          1HZ       LYS  11 -10.772 -13.204  -4.409
  101   2HZ   LYS  11          2HZ       LYS  11  -9.607 -14.104  -3.575
  102   3HZ   LYS  11          3HZ       LYS  11  -9.127 -12.915  -4.678
  103    H    CYS  12           H        CYS  12  -5.051  -9.697  -1.641
  104    HA   CYS  12           HA       CYS  12  -3.119  -7.745  -1.414
  105   1HB   CYS  12          2HB       CYS  12  -2.751 -10.746  -1.482
  106   2HB   CYS  12          1HB       CYS  12  -1.536  -9.602  -0.922
  107    HG   CYS  12           HG       CYS  12  -2.740 -10.405   1.181
  108    H    GLY  13           H        GLY  13  -1.545  -6.930  -2.689
  109   1HA   GLY  13          2HA       GLY  13   0.123  -7.023  -4.365
  110   2HA   GLY  13          1HA       GLY  13  -0.691  -8.419  -5.056
  111    H    ASP  14           H        ASP  14  -3.228  -6.581  -4.608
  112    HA   ASP  14           HA       ASP  14  -3.383  -5.743  -7.322
  113   1HB   ASP  14          2HB       ASP  14  -5.274  -6.434  -5.648
  114   2HB   ASP  14          1HB       ASP  14  -5.248  -4.729  -5.203
  115    H    LEU  15           H        LEU  15  -3.187  -3.738  -8.225
  116    HA   LEU  15           HA       LEU  15  -1.866  -1.716  -6.596
  117   1HB   LEU  15          2HB       LEU  15  -2.378  -1.788  -9.572
  118   2HB   LEU  15          1HB       LEU  15  -1.402  -0.599  -8.731
  119    HG   LEU  15           HG       LEU  15  -0.791  -3.538  -9.037
  120   1HD1  LEU  15          1HD1      LEU  15   0.106  -1.055 -10.372
  121   2HD1  LEU  15          2HD1      LEU  15  -0.064  -2.692 -11.008
  122   3HD1  LEU  15          3HD1      LEU  15   1.336  -2.269 -10.021
  123   1HD2  LEU  15          1HD2      LEU  15  -0.158  -2.620  -6.806
  124   2HD2  LEU  15          2HD2      LEU  15   0.857  -1.441  -7.636
  125   3HD2  LEU  15          3HD2      LEU  15   1.208  -3.163  -7.778
  126    H    VAL  16           H        VAL  16  -3.013  -0.211  -5.636
  127    HA   VAL  16           HA       VAL  16  -5.307   0.952  -7.035
  128    HB   VAL  16           HB       VAL  16  -6.623   0.978  -4.939
  129   1HG1  VAL  16          1HG1      VAL  16  -6.930  -1.628  -4.908
  130   2HG1  VAL  16          2HG1      VAL  16  -5.854  -1.556  -6.302
  131   3HG1  VAL  16          3HG1      VAL  16  -7.386  -0.682  -6.323
  132   1HG2  VAL  16          1HG2      VAL  16  -5.996  -0.405  -3.067
  133   2HG2  VAL  16          2HG2      VAL  16  -4.697   0.740  -3.400
  134   3HG2  VAL  16          3HG2      VAL  16  -4.540  -0.943  -3.904
  135    H    PHE  17           H        PHE  17  -6.124   2.915  -5.823
  136    HA   PHE  17           HA       PHE  17  -3.828   4.464  -4.802
  137   1HB   PHE  17          2HB       PHE  17  -6.162   5.203  -6.532
  138   2HB   PHE  17          1HB       PHE  17  -5.445   6.431  -5.496
  139    HD1  PHE  17           1HD      PHE  17  -2.735   6.363  -5.623
  140    HD2  PHE  17           2HD      PHE  17  -5.437   5.177  -8.685
  141    HE1  PHE  17           1HE      PHE  17  -0.991   6.760  -7.310
  142    HE2  PHE  17           2HE      PHE  17  -3.703   5.572 -10.380
  143    HZ   PHE  17           HZ       PHE  17  -1.472   6.366  -9.701
  144    H    ALA  18           H        ALA  18  -4.019   5.436  -2.813
  145    HA   ALA  18           HA       ALA  18  -6.561   5.004  -1.401
  146   1HB   ALA  18          1HB       ALA  18  -5.278   3.935   0.075
  147   2HB   ALA  18          2HB       ALA  18  -4.658   5.521   0.536
  148   3HB   ALA  18          3HB       ALA  18  -3.794   4.549  -0.656
  149    H    LYS  19           H        LYS  19  -7.715   6.728  -0.890
  150    HA   LYS  19           HA       LYS  19  -6.518   9.368  -1.128
  151   1HB   LYS  19          2HB       LYS  19  -8.673   8.862  -2.255
  152   2HB   LYS  19          1HB       LYS  19  -9.407   8.601  -0.679
  153   1HG   LYS  19          2HG       LYS  19 -10.021  10.772  -1.308
  154   2HG   LYS  19          1HG       LYS  19  -8.726  10.978  -0.128
  155   1HD   LYS  19          2HD       LYS  19  -7.131  11.162  -2.063
  156   2HD   LYS  19          1HD       LYS  19  -8.539  11.213  -3.125
  157   1HE   LYS  19          2HE       LYS  19  -7.753  13.461  -2.645
  158   2HE   LYS  19          1HE       LYS  19  -9.348  13.201  -1.942
  159   1HZ   LYS  19          1HZ       LYS  19  -7.417  12.483  -0.044
  160   2HZ   LYS  19          2HZ       LYS  19  -8.532  13.753   0.024
  161   3HZ   LYS  19          3HZ       LYS  19  -7.003  14.008  -0.652
  162    H    MET  20           H        MET  20  -6.064  10.662   0.520
  163    HA   MET  20           HA       MET  20  -7.085   9.956   3.192
  164   1HB   MET  20          2HB       MET  20  -4.317  10.208   2.262
  165   2HB   MET  20          1HB       MET  20  -4.660  11.173   3.691
  166   1HG   MET  20          2HG       MET  20  -5.769   8.905   4.492
  167   2HG   MET  20          1HG       MET  20  -4.610   8.232   3.348
  168   1HE   MET  20          1HE       MET  20  -2.652   7.655   3.664
  169   2HE   MET  20          2HE       MET  20  -2.422   7.130   5.332
  170   3HE   MET  20          3HE       MET  20  -1.379   8.377   4.649
  171    H    LYS  21           H        LYS  21  -7.495  11.693   4.600
  172    HA   LYS  21           HA       LYS  21  -8.376  14.076   3.356
  173   1HB   LYS  21          2HB       LYS  21  -8.734  14.871   5.710
  174   2HB   LYS  21          1HB       LYS  21  -9.504  13.338   5.326
  175   1HG   LYS  21          2HG       LYS  21  -7.034  12.594   6.308
  176   2HG   LYS  21          1HG       LYS  21  -7.494  13.966   7.318
  177   1HD   LYS  21          2HD       LYS  21  -8.316  11.964   8.350
  178   2HD   LYS  21          1HD       LYS  21  -9.694  12.856   7.703
  179   1HE   LYS  21          2HE       LYS  21 -10.104  10.642   7.081
  180   2HE   LYS  21          1HE       LYS  21  -9.436  11.383   5.627
  181   1HZ   LYS  21          1HZ       LYS  21  -8.436   9.239   6.010
  182   2HZ   LYS  21          2HZ       LYS  21  -7.955   9.690   7.566
  183   3HZ   LYS  21          3HZ       LYS  21  -7.268  10.447   6.219
  184    H    GLY  22           H        GLY  22  -7.098  15.629   2.596
  185   1HA   GLY  22          2HA       GLY  22  -5.684  17.513   3.147
  186   2HA   GLY  22          1HA       GLY  22  -4.804  16.465   4.249
  187    H    TYR  23           H        TYR  23  -4.801  14.271   2.225
  188    HA   TYR  23           HA       TYR  23  -2.742  15.390   0.423
  189   1HB   TYR  23          2HB       TYR  23  -2.746  12.506   1.263
  190   2HB   TYR  23          1HB       TYR  23  -1.405  13.497   0.697
  191    HD1  TYR  23           1HD      TYR  23  -0.814  15.533   2.295
  192    HD2  TYR  23           2HD      TYR  23  -2.857  12.009   3.513
  193    HE1  TYR  23           1HE      TYR  23  -0.142  15.956   4.622
  194    HE2  TYR  23           2HE      TYR  23  -2.194  12.421   5.845
  195    HH   TYR  23           HH       TYR  23  -0.960  13.686   7.223
  196    HA   PRO  24           HA       PRO  24  -5.060  13.629  -2.902
  197   1HB   PRO  24          2HB       PRO  24  -3.220  13.485  -4.826
  198   2HB   PRO  24          1HB       PRO  24  -3.708  15.045  -4.152
  199   1HG   PRO  24          2HG       PRO  24  -1.266  13.416  -3.586
  200   2HG   PRO  24          1HG       PRO  24  -1.422  15.171  -3.779
  201   1HD   PRO  24          2HD       PRO  24  -1.310  13.841  -1.348
  202   2HD   PRO  24          1HD       PRO  24  -1.972  15.469  -1.587
  203    H    HIS  25           H        HIS  25  -5.203  11.795  -4.418
  204    HA   HIS  25           HA       HIS  25  -4.974   9.317  -3.265
  205   1HB   HIS  25          2HB       HIS  25  -4.767   9.917  -6.224
  206   2HB   HIS  25          1HB       HIS  25  -5.247   8.383  -5.507
  207    HD1  HIS  25           1HD      HIS  25  -6.471  11.915  -5.975
  208    HD2  HIS  25           2HD      HIS  25  -7.903   8.200  -4.784
  209    HE1  HIS  25           1HE      HIS  25  -8.966  12.178  -5.809
  210    HE2  HIS  25           2HE      HIS  25  -9.808   9.932  -5.035
  211    H    TRP  26           H        TRP  26  -3.194   8.302  -2.535
  212    HA   TRP  26           HA       TRP  26  -0.618   8.780  -3.840
  213   1HB   TRP  26          2HB       TRP  26  -1.152   8.928  -1.264
  214   2HB   TRP  26          1HB       TRP  26  -0.917   7.186  -1.328
  215    HD1  TRP  26           HD       TRP  26   1.597   6.403  -2.322
  216    HE1  TRP  26           1HE      TRP  26   3.886   7.503  -1.857
  217    HE3  TRP  26           3HE      TRP  26   0.011  11.028  -0.821
  218    HZ2  TRP  26           2HZ      TRP  26   4.873   9.994  -0.982
  219    HZ3  TRP  26           3HZ      TRP  26   1.678  12.704  -0.193
  220    HH2  TRP  26           HH       TRP  26   4.050  12.198  -0.272
  221    HA   PRO  27           HA       PRO  27  -0.769   4.850  -5.962
  222   1HB   PRO  27          2HB       PRO  27   1.995   4.505  -6.065
  223   2HB   PRO  27          1HB       PRO  27   1.030   5.374  -7.260
  224   1HG   PRO  27          2HG       PRO  27   2.638   6.440  -4.985
  225   2HG   PRO  27          1HG       PRO  27   2.416   7.104  -6.613
  226   1HD   PRO  27          2HD       PRO  27   1.133   8.135  -4.500
  227   2HD   PRO  27          1HD       PRO  27   0.349   8.024  -6.091
  228    H    ALA  28           H        ALA  28  -1.307   3.080  -4.860
  229    HA   ALA  28           HA       ALA  28   0.580   2.022  -2.888
  230   1HB   ALA  28          1HB       ALA  28  -0.695   2.454  -1.128
  231   2HB   ALA  28          2HB       ALA  28  -2.100   1.723  -1.903
  232   3HB   ALA  28          3HB       ALA  28  -1.724   3.424  -2.182
  233    H    ARG  29           H        ARG  29  -0.310  -0.134  -2.003
  234    HA   ARG  29           HA       ARG  29  -1.765  -1.668  -4.019
  235   1HB   ARG  29          2HB       ARG  29   0.663  -1.862  -4.543
  236   2HB   ARG  29          1HB       ARG  29   0.925  -2.527  -2.936
  237   1HG   ARG  29          2HG       ARG  29  -0.734  -4.340  -3.583
  238   2HG   ARG  29          1HG       ARG  29  -0.569  -3.745  -5.235
  239   1HD   ARG  29          2HD       ARG  29   1.044  -5.357  -5.241
  240   2HD   ARG  29          1HD       ARG  29   2.002  -3.982  -4.691
  241    HE   ARG  29           HE       ARG  29   1.206  -5.010  -2.369
  242   1HH1  ARG  29          1HH1      ARG  29   2.525  -6.578  -5.199
  243   2HH1  ARG  29          2HH1      ARG  29   3.249  -7.866  -4.298
  244   1HH2  ARG  29          1HH2      ARG  29   2.166  -6.701  -1.187
  245   2HH2  ARG  29          2HH2      ARG  29   3.048  -7.936  -2.023
  246    H    ILE  30           H        ILE  30  -2.556  -3.731  -3.196
  247    HA   ILE  30           HA       ILE  30  -3.295  -3.558  -0.407
  248    HB   ILE  30           HB       ILE  30  -3.870  -5.812  -2.331
  249   1HG1  ILE  30          2HG1      ILE  30  -4.631  -3.625  -3.225
  250   2HG1  ILE  30          1HG1      ILE  30  -5.968  -4.706  -2.846
  251   1HG2  ILE  30          1HG2      ILE  30  -4.907  -6.767  -0.620
  252   2HG2  ILE  30          2HG2      ILE  30  -5.938  -5.348  -0.440
  253   3HG2  ILE  30          3HG2      ILE  30  -4.406  -5.439   0.428
  254   1HD1  ILE  30          1HD1      ILE  30  -6.821  -2.896  -1.848
  255   2HD1  ILE  30          2HD1      ILE  30  -5.248  -2.113  -1.694
  256   3HD1  ILE  30          3HD1      ILE  30  -5.741  -3.338  -0.525
  257    H    ASP  31           H        ASP  31  -2.558  -4.837   1.258
  258    HA   ASP  31           HA       ASP  31  -0.450  -6.774   0.588
  259   1HB   ASP  31          2HB       ASP  31  -0.016  -4.411   1.876
  260   2HB   ASP  31          1HB       ASP  31  -0.251  -5.506   3.234
  261    H    GLU  32           H        GLU  32  -3.337  -6.154   2.391
  262    HA   GLU  32           HA       GLU  32  -3.505  -8.913   3.139
  263   1HB   GLU  32          2HB       GLU  32  -2.322  -7.119   4.993
  264   2HB   GLU  32          1HB       GLU  32  -3.911  -7.544   5.615
  265   1HG   GLU  32          2HG       GLU  32  -3.387  -9.802   5.763
  266   2HG   GLU  32          1HG       GLU  32  -2.029  -9.658   4.649
  267    H    MET  33           H        MET  33  -5.567  -9.523   3.887
  268    HA   MET  33           HA       MET  33  -7.658  -7.641   3.132
  269   1HB   MET  33          2HB       MET  33  -7.650 -10.605   3.683
  270   2HB   MET  33          1HB       MET  33  -9.132  -9.697   3.429
  271   1HG   MET  33          2HG       MET  33  -6.895  -9.696   1.433
  272   2HG   MET  33          1HG       MET  33  -8.162 -10.921   1.434
  273   1HE   MET  33          1HE       MET  33  -7.239  -7.759  -0.474
  274   2HE   MET  33          2HE       MET  33  -7.214  -7.279   1.223
  275   3HE   MET  33          3HE       MET  33  -8.402  -6.577   0.125
  276    HA   PRO  34           HA       PRO  34  -8.953  -6.994   7.315
  277   1HB   PRO  34          2HB       PRO  34 -11.520  -6.328   7.015
  278   2HB   PRO  34          1HB       PRO  34 -10.234  -5.327   6.328
  279   1HG   PRO  34          2HG       PRO  34 -12.038  -7.286   4.979
  280   2HG   PRO  34          1HG       PRO  34 -11.439  -5.723   4.395
  281   1HD   PRO  34          2HD       PRO  34 -10.388  -8.219   3.725
  282   2HD   PRO  34          1HD       PRO  34  -9.560  -6.664   3.525
  283    H    GLU  35           H        GLU  35  -9.095  -8.592   8.780
  284    HA   GLU  35           HA       GLU  35 -10.645 -10.948   8.324
  285   1HB   GLU  35          2HB       GLU  35  -8.590 -10.113  10.146
  286   2HB   GLU  35          1HB       GLU  35  -9.908 -10.852  11.043
  287   1HG   GLU  35          2HG       GLU  35  -8.654 -12.691  10.594
  288   2HG   GLU  35          1HG       GLU  35  -9.714 -12.693   9.186
  289    H    ALA  36           H        ALA  36 -10.770  -9.217  11.384
  290    HA   ALA  36           HA       ALA  36 -13.446  -8.322  11.127
  291   1HB   ALA  36          1HB       ALA  36 -13.520 -10.412  13.161
  292   2HB   ALA  36          2HB       ALA  36 -13.304 -11.033  11.525
  293   3HB   ALA  36          3HB       ALA  36 -14.690 -10.011  11.904
  294    H    ALA  37           H        ALA  37 -11.383  -9.762  13.647
  295    HA   ALA  37           HA       ALA  37 -10.833  -7.244  14.861
  296   1HB   ALA  37          1HB       ALA  37 -12.077  -7.430  16.872
  297   2HB   ALA  37          2HB       ALA  37 -12.604  -9.066  16.472
  298   3HB   ALA  37          3HB       ALA  37 -13.218  -7.692  15.552
  299    H    VAL  38           H        VAL  38  -9.512  -9.732  13.944
  300    HA   VAL  38           HA       VAL  38  -8.466 -10.904  16.389
  301    HB   VAL  38           HB       VAL  38  -7.221 -12.407  14.902
  302   1HG1  VAL  38          1HG1      VAL  38  -9.162 -13.484  15.258
  303   2HG1  VAL  38          2HG1      VAL  38  -9.490 -13.090  13.570
  304   3HG1  VAL  38          3HG1      VAL  38 -10.138 -12.069  14.856
  305   1HG2  VAL  38          1HG2      VAL  38  -8.598 -11.062  12.587
  306   2HG2  VAL  38          2HG2      VAL  38  -7.327 -12.286  12.543
  307   3HG2  VAL  38          3HG2      VAL  38  -6.956 -10.648  13.086
  308    H    LYS  39           H        LYS  39  -7.797  -8.176  14.659
  309    HA   LYS  39           HA       LYS  39  -5.272  -7.806  15.943
  310   1HB   LYS  39          2HB       LYS  39  -3.965  -7.431  13.868
  311   2HB   LYS  39          1HB       LYS  39  -4.458  -9.106  14.073
  312   1HG   LYS  39          2HG       LYS  39  -6.073  -8.957  12.382
  313   2HG   LYS  39          1HG       LYS  39  -6.036  -7.192  12.387
  314   1HD   LYS  39          2HD       LYS  39  -4.224  -7.100  11.046
  315   2HD   LYS  39          1HD       LYS  39  -3.466  -8.501  11.804
  316   1HE   LYS  39          2HE       LYS  39  -4.009  -9.011   9.503
  317   2HE   LYS  39          1HE       LYS  39  -5.020  -9.971  10.582
  318   1HZ   LYS  39          1HZ       LYS  39  -6.707  -9.212   9.366
  319   2HZ   LYS  39          2HZ       LYS  39  -5.779  -7.995   8.647
  320   3HZ   LYS  39          3HZ       LYS  39  -6.494  -7.732  10.158
  321    H    SER  40           H        SER  40  -4.244  -5.659  14.868
  322    HA   SER  40           HA       SER  40  -6.204  -3.637  15.313
  323   1HB   SER  40          2HB       SER  40  -4.347  -2.065  14.756
  324   2HB   SER  40          1HB       SER  40  -3.906  -3.251  15.984
  325    HG   SER  40           HG       SER  40  -3.265  -3.359  13.219
  326    H    THR  41           H        THR  41  -7.519  -4.743  13.458
  327    HA   THR  41           HA       THR  41  -7.019  -3.180  11.019
  328    HB   THR  41           HB       THR  41  -6.425  -5.585  10.721
  329    HG1  THR  41           1HG      THR  41  -7.402  -5.704   8.759
  330   1HG2  THR  41          1HG2      THR  41  -8.372  -7.146  10.383
  331   2HG2  THR  41          2HG2      THR  41  -9.341  -5.992  11.298
  332   3HG2  THR  41          3HG2      THR  41  -7.954  -6.775  12.056
  333    H    ALA  42           H        ALA  42  -9.218  -4.107  13.453
  334    HA   ALA  42           HA       ALA  42 -11.464  -3.870  13.764
  335   1HB   ALA  42          1HB       ALA  42 -12.241  -1.548  12.845
  336   2HB   ALA  42          2HB       ALA  42 -10.524  -1.338  12.502
  337   3HB   ALA  42          3HB       ALA  42 -11.062  -1.642  14.153
  338    H    ASN  43           H        ASN  43 -11.554  -2.099  10.723
  339    HA   ASN  43           HA       ASN  43 -12.655  -4.325   9.277
  340   1HB   ASN  43          2HB       ASN  43 -14.764  -2.997   8.715
  341   2HB   ASN  43          1HB       ASN  43 -14.695  -3.721  10.318
  342   1HD2  ASN  43          1HD2      ASN  43 -14.002  -0.713   8.591
  343   2HD2  ASN  43          2HD2      ASN  43 -14.434   0.339   9.891
  344    H    LYS  44           H        LYS  44 -10.394  -3.100   8.720
  345    HA   LYS  44           HA       LYS  44 -11.002  -1.656   6.250
  346   1HB   LYS  44          2HB       LYS  44  -8.710  -0.690   7.906
  347   2HB   LYS  44          1HB       LYS  44  -9.650   0.170   6.695
  348   1HG   LYS  44          2HG       LYS  44 -11.389   0.610   8.176
  349   2HG   LYS  44          1HG       LYS  44 -10.889  -0.663   9.293
  350   1HD   LYS  44          2HD       LYS  44  -8.758   0.720   9.619
  351   2HD   LYS  44          1HD       LYS  44  -9.641   2.033   8.835
  352   1HE   LYS  44          2HE       LYS  44 -11.477   1.302  10.634
  353   2HE   LYS  44          1HE       LYS  44 -10.026   0.802  11.502
  354   1HZ   LYS  44          1HZ       LYS  44  -9.903   3.442  10.321
  355   2HZ   LYS  44          2HZ       LYS  44  -9.408   2.915  11.850
  356   3HZ   LYS  44          3HZ       LYS  44 -11.035   3.274  11.566
  357    H    TYR  45           H        TYR  45  -9.037  -1.466   4.843
  358    HA   TYR  45           HA       TYR  45  -7.616  -4.027   4.859
  359   1HB   TYR  45          2HB       TYR  45  -7.819  -1.880   2.732
  360   2HB   TYR  45          1HB       TYR  45  -6.987  -3.419   2.541
  361    HD1  TYR  45           1HD      TYR  45  -8.155  -5.309   1.805
  362    HD2  TYR  45           2HD      TYR  45 -10.328  -1.940   3.229
  363    HE1  TYR  45           1HE      TYR  45 -10.253  -6.350   1.051
  364    HE2  TYR  45           2HE      TYR  45 -12.431  -2.972   2.481
  365    HH   TYR  45           HH       TYR  45 -13.192  -4.644   0.871
  366    H    GLN  46           H        GLN  46  -5.324  -4.099   4.374
  367    HA   GLN  46           HA       GLN  46  -3.875  -1.876   5.623
  368   1HB   GLN  46          2HB       GLN  46  -3.685  -4.596   6.025
  369   2HB   GLN  46          1HB       GLN  46  -2.346  -4.287   4.928
  370   1HG   GLN  46          2HG       GLN  46  -1.731  -2.394   6.557
  371   2HG   GLN  46          1HG       GLN  46  -2.807  -3.220   7.683
  372   1HE2  GLN  46          1HE2      GLN  46  -0.144  -3.941   5.452
  373   2HE2  GLN  46          2HE2      GLN  46   0.652  -5.066   6.494
  374    H    VAL  47           H        VAL  47  -3.298  -0.403   4.172
  375    HA   VAL  47           HA       VAL  47  -2.467  -1.274   1.505
  376    HB   VAL  47           HB       VAL  47  -3.234   1.475   2.492
  377   1HG1  VAL  47          1HG1      VAL  47  -1.951   0.568   0.041
  378   2HG1  VAL  47          2HG1      VAL  47  -2.113   2.196   0.703
  379   3HG1  VAL  47          3HG1      VAL  47  -3.426   1.494  -0.246
  380   1HG2  VAL  47          1HG2      VAL  47  -4.981  -0.449   2.232
  381   2HG2  VAL  47          2HG2      VAL  47  -4.803  -0.109   0.510
  382   3HG2  VAL  47          3HG2      VAL  47  -5.335   1.164   1.609
  383    H    PHE  48           H        PHE  48  -0.576  -0.736   0.593
  384    HA   PHE  48           HA       PHE  48   1.518   0.323   2.372
  385   1HB   PHE  48          2HB       PHE  48   1.832  -1.982   1.451
  386   2HB   PHE  48          1HB       PHE  48   1.830  -1.296  -0.170
  387    HD1  PHE  48           1HD      PHE  48   3.908  -1.164  -1.112
  388    HD2  PHE  48           2HD      PHE  48   3.507  -0.506   3.073
  389    HE1  PHE  48           1HE      PHE  48   6.330  -0.765  -0.947
  390    HE2  PHE  48           2HE      PHE  48   5.929  -0.105   3.246
  391    HZ   PHE  48           HZ       PHE  48   7.343  -0.235   1.234
  392    H    PHE  49           H        PHE  49   2.206   2.318   1.962
  393    HA   PHE  49           HA       PHE  49   1.480   3.608  -0.555
  394   1HB   PHE  49          2HB       PHE  49   2.556   4.728   2.040
  395   2HB   PHE  49          1HB       PHE  49   2.198   5.699   0.614
  396    HD1  PHE  49           1HD      PHE  49  -0.209   5.550  -0.309
  397    HD2  PHE  49           2HD      PHE  49   0.909   4.318   3.605
  398    HE1  PHE  49           1HE      PHE  49  -2.552   5.726   0.410
  399    HE2  PHE  49           2HE      PHE  49  -1.431   4.490   4.329
  400    HZ   PHE  49           HZ       PHE  49  -3.168   5.192   2.734
  401    H    PHE  50           H        PHE  50   2.929   3.270  -2.143
  402    HA   PHE  50           HA       PHE  50   5.631   2.643  -1.828
  403   1HB   PHE  50          2HB       PHE  50   4.097   3.828  -4.141
  404   2HB   PHE  50          1HB       PHE  50   5.813   3.457  -4.251
  405    HD1  PHE  50           1HD      PHE  50   6.416   0.997  -3.411
  406    HD2  PHE  50           2HD      PHE  50   2.627   2.244  -4.895
  407    HE1  PHE  50           1HE      PHE  50   5.878  -1.334  -3.985
  408    HE2  PHE  50           2HE      PHE  50   2.082  -0.087  -5.467
  409    HZ   PHE  50           HZ       PHE  50   3.709  -1.878  -5.014
  410    H    GLY  51           H        GLY  51   7.373   4.123  -2.999
  411   1HA   GLY  51          2HA       GLY  51   8.626   6.055  -2.959
  412   2HA   GLY  51          1HA       GLY  51   7.140   6.938  -2.645
  413    H    THR  52           H        THR  52   6.268   6.450  -0.322
  414    HA   THR  52           HA       THR  52   8.423   7.171   1.504
  415    HB   THR  52           HB       THR  52   6.607   7.718   3.070
  416    HG1  THR  52           1HG      THR  52   4.871   6.897   0.986
  417   1HG2  THR  52          1HG2      THR  52   7.259   9.441   1.468
  418   2HG2  THR  52          2HG2      THR  52   5.543   9.528   1.871
  419   3HG2  THR  52          3HG2      THR  52   6.054   8.832   0.333
  420    H    HIS  53           H        HIS  53   6.394   4.490   0.724
  421    HA   HIS  53           HA       HIS  53   6.320   2.342   1.492
  422   1HB   HIS  53          2HB       HIS  53   8.893   3.326   2.634
  423   2HB   HIS  53          1HB       HIS  53   8.227   1.839   3.297
  424    HD1  HIS  53           1HD      HIS  53   9.835   0.187   2.315
  425    HD2  HIS  53           2HD      HIS  53   8.211   2.729  -0.543
  426    HE1  HIS  53           1HE      HIS  53  10.576  -0.736   0.097
  427    HE2  HIS  53           2HE      HIS  53   9.639   0.857  -1.616
  428    H    GLU  54           H        GLU  54   4.828   4.458   2.736
  429    HA   GLU  54           HA       GLU  54   4.817   3.829   5.582
  430   1HB   GLU  54          2HB       GLU  54   3.049   5.712   4.009
  431   2HB   GLU  54          1HB       GLU  54   3.141   5.598   5.761
  432   1HG   GLU  54          2HG       GLU  54   5.396   6.410   5.757
  433   2HG   GLU  54          1HG       GLU  54   5.455   6.367   3.996
  434    H    THR  55           H        THR  55   2.976   3.017   6.696
  435    HA   THR  55           HA       THR  55   1.076   1.593   4.962
  436    HB   THR  55           HB       THR  55   1.097   0.096   7.249
  437    HG1  THR  55           1HG      THR  55   3.107  -0.059   8.018
  438   1HG2  THR  55          1HG2      THR  55   3.083  -1.098   5.746
  439   2HG2  THR  55          2HG2      THR  55   2.121  -0.207   4.567
  440   3HG2  THR  55          3HG2      THR  55   1.349  -1.387   5.626
  441    H    ALA  56           H        ALA  56  -1.018   1.580   5.491
  442    HA   ALA  56           HA       ALA  56  -1.927   2.638   8.033
  443   1HB   ALA  56          1HB       ALA  56  -1.408   4.537   6.289
  444   2HB   ALA  56          2HB       ALA  56  -2.823   4.622   7.341
  445   3HB   ALA  56          3HB       ALA  56  -2.995   4.087   5.668
  446    H    PHE  57           H        PHE  57  -4.380   2.707   8.102
  447    HA   PHE  57           HA       PHE  57  -5.420   0.424   6.570
  448   1HB   PHE  57          2HB       PHE  57  -6.138   1.492   9.299
  449   2HB   PHE  57          1HB       PHE  57  -7.110   0.291   8.456
  450    HD1  PHE  57           1HD      PHE  57  -3.545   0.874   9.390
  451    HD2  PHE  57           2HD      PHE  57  -6.736  -1.908   8.965
  452    HE1  PHE  57           1HE      PHE  57  -2.102  -0.909  10.280
  453    HE2  PHE  57           2HE      PHE  57  -5.300  -3.697   9.856
  454    HZ   PHE  57           HZ       PHE  57  -2.979  -3.198  10.514
  455    H    LEU  58           H        LEU  58  -6.982   0.783   5.134
  456    HA   LEU  58           HA       LEU  58  -8.770   3.069   5.514
  457   1HB   LEU  58          2HB       LEU  58  -7.214   2.470   3.002
  458   2HB   LEU  58          1HB       LEU  58  -8.572   3.577   3.065
  459    HG   LEU  58           HG       LEU  58  -6.216   3.994   4.869
  460   1HD1  LEU  58          1HD1      LEU  58  -6.417   5.068   2.064
  461   2HD1  LEU  58          2HD1      LEU  58  -5.396   3.707   2.529
  462   3HD1  LEU  58          3HD1      LEU  58  -5.101   5.304   3.215
  463   1HD2  LEU  58          1HD2      LEU  58  -7.900   6.074   3.530
  464   2HD2  LEU  58          2HD2      LEU  58  -6.989   6.173   5.037
  465   3HD2  LEU  58          3HD2      LEU  58  -8.482   5.237   4.969
  466    H    GLY  59           H        GLY  59 -10.720   2.953   4.155
  467   1HA   GLY  59          2HA       GLY  59 -11.604   0.177   3.945
  468   2HA   GLY  59          1HA       GLY  59 -12.635   1.599   3.930
  469    HA   PRO  60           HA       PRO  60 -12.019  -0.102  -0.430
  470   1HB   PRO  60          2HB       PRO  60 -14.662  -0.481  -0.971
  471   2HB   PRO  60          1HB       PRO  60 -13.627  -1.729  -0.268
  472   1HG   PRO  60          2HG       PRO  60 -15.555   0.117   1.087
  473   2HG   PRO  60          1HG       PRO  60 -15.282  -1.614   1.360
  474   1HD   PRO  60          2HD       PRO  60 -14.250   0.281   2.983
  475   2HD   PRO  60          1HD       PRO  60 -13.403  -1.243   2.649
  476    H    LYS  61           H        LYS  61 -14.160   2.237   1.071
  477    HA   LYS  61           HA       LYS  61 -14.872   3.614  -1.309
  478   1HB   LYS  61          2HB       LYS  61 -14.786   4.804   1.459
  479   2HB   LYS  61          1HB       LYS  61 -15.817   5.270   0.114
  480   1HG   LYS  61          2HG       LYS  61 -16.262   2.517   0.710
  481   2HG   LYS  61          1HG       LYS  61 -16.372   3.457   2.199
  482   1HD   LYS  61          2HD       LYS  61 -17.961   4.980   1.083
  483   2HD   LYS  61          1HD       LYS  61 -17.885   3.971  -0.362
  484   1HE   LYS  61          2HE       LYS  61 -18.615   2.048   1.134
  485   2HE   LYS  61          1HE       LYS  61 -18.989   3.273   2.346
  486   1HZ   LYS  61          1HZ       LYS  61 -20.438   4.334   0.640
  487   2HZ   LYS  61          2HZ       LYS  61 -20.967   2.810   1.149
  488   3HZ   LYS  61          3HZ       LYS  61 -20.196   2.981  -0.347
  489    H    ASP  62           H        ASP  62 -12.068   3.615   0.699
  490    HA   ASP  62           HA       ASP  62 -11.121   6.141  -0.440
  491   1HB   ASP  62          2HB       ASP  62 -10.387   4.507   1.941
  492   2HB   ASP  62          1HB       ASP  62  -9.129   5.494   1.203
  493    H    LEU  63           H        LEU  63 -11.135   3.052  -1.425
  494    HA   LEU  63           HA       LEU  63  -8.419   3.209  -2.550
  495   1HB   LEU  63          2HB       LEU  63 -10.115   0.743  -2.144
  496   2HB   LEU  63          1HB       LEU  63  -8.478   0.781  -2.772
  497    HG   LEU  63           HG       LEU  63  -9.111   1.794  -0.014
  498   1HD1  LEU  63          1HD1      LEU  63  -9.928  -0.550  -0.283
  499   2HD1  LEU  63          2HD1      LEU  63  -8.637  -0.357   0.902
  500   3HD1  LEU  63          3HD1      LEU  63  -8.278  -1.019  -0.693
  501   1HD2  LEU  63          1HD2      LEU  63  -6.575   0.543  -1.011
  502   2HD2  LEU  63          2HD2      LEU  63  -6.818   1.610   0.371
  503   3HD2  LEU  63          3HD2      LEU  63  -6.920   2.253  -1.267
  504    H    PHE  64           H        PHE  64  -8.148   3.045  -4.730
  505    HA   PHE  64           HA       PHE  64 -10.519   2.546  -6.394
  506   1HB   PHE  64          2HB       PHE  64  -8.590   4.823  -6.902
  507   2HB   PHE  64          1HB       PHE  64 -10.073   4.467  -7.780
  508    HD1  PHE  64           1HD      PHE  64  -8.960   5.171  -4.287
  509    HD2  PHE  64           2HD      PHE  64 -11.923   5.726  -7.290
  510    HE1  PHE  64           1HE      PHE  64 -10.208   6.656  -2.774
  511    HE2  PHE  64           2HE      PHE  64 -13.176   7.213  -5.783
  512    HZ   PHE  64           HZ       PHE  64 -12.320   7.680  -3.522
  513    HA   PRO  65           HA       PRO  65  -7.795   0.254  -8.997
  514   1HB   PRO  65          2HB       PRO  65  -8.871   1.356 -11.462
  515   2HB   PRO  65          1HB       PRO  65  -9.127  -0.239 -10.760
  516   1HG   PRO  65          2HG       PRO  65 -11.079   1.651 -10.920
  517   2HG   PRO  65          1HG       PRO  65 -11.027   0.405  -9.660
  518   1HD   PRO  65          2HD       PRO  65 -10.218   3.283  -9.517
  519   2HD   PRO  65          1HD       PRO  65 -11.065   2.288  -8.313
  520    H    TYR  66           H        TYR  66  -5.704   0.861  -8.988
  521    HA   TYR  66           HA       TYR  66  -4.617   3.327  -9.519
  522   1HB   TYR  66          2HB       TYR  66  -3.316   1.555  -8.499
  523   2HB   TYR  66          1HB       TYR  66  -3.387   0.603  -9.979
  524    HD1  TYR  66           1HD      TYR  66  -1.824   0.945 -11.724
  525    HD2  TYR  66           2HD      TYR  66  -2.021   3.706  -8.495
  526    HE1  TYR  66           1HE      TYR  66   0.245   2.007 -12.516
  527    HE2  TYR  66           2HE      TYR  66   0.051   4.776  -9.275
  528    HH   TYR  66           HH       TYR  66   1.903   4.440 -10.640
  529    H    GLU  67           H        GLU  67  -4.695   0.599 -11.813
  530    HA   GLU  67           HA       GLU  67  -3.634   1.829 -14.026
  531   1HB   GLU  67          2HB       GLU  67  -5.384  -0.468 -13.546
  532   2HB   GLU  67          1HB       GLU  67  -5.584   0.241 -15.142
  533   1HG   GLU  67          2HG       GLU  67  -3.661  -0.594 -15.864
  534   2HG   GLU  67          1HG       GLU  67  -2.794  -0.057 -14.426
  535    H    GLU  68           H        GLU  68  -6.963   1.923 -12.908
  536    HA   GLU  68           HA       GLU  68  -7.987   3.363 -15.122
  537   1HB   GLU  68          2HB       GLU  68  -9.114   3.042 -12.342
  538   2HB   GLU  68          1HB       GLU  68  -9.992   3.673 -13.728
  539   1HG   GLU  68          2HG       GLU  68  -8.742   1.001 -13.998
  540   2HG   GLU  68          1HG       GLU  68 -10.167   1.144 -12.969
  541    H    SER  69           H        SER  69  -6.790   4.380 -11.944
  542    HA   SER  69           HA       SER  69  -7.364   7.158 -12.701
  543   1HB   SER  69          2HB       SER  69  -6.477   6.222  -9.980
  544   2HB   SER  69          1HB       SER  69  -7.294   7.727 -10.407
  545    HG   SER  69           HG       SER  69  -8.748   6.230  -9.503
  546    H    LYS  70           H        LYS  70  -4.880   5.332 -13.399
  547    HA   LYS  70           HA       LYS  70  -2.623   6.424 -12.174
  548   1HB   LYS  70          2HB       LYS  70  -2.794   5.614 -15.078
  549   2HB   LYS  70          1HB       LYS  70  -1.342   5.714 -14.093
  550   1HG   LYS  70          2HG       LYS  70  -2.407   3.936 -12.627
  551   2HG   LYS  70          1HG       LYS  70  -3.565   3.723 -13.938
  552   1HD   LYS  70          2HD       LYS  70  -0.652   3.686 -14.567
  553   2HD   LYS  70          1HD       LYS  70  -1.382   2.264 -13.821
  554   1HE   LYS  70          2HE       LYS  70  -2.065   1.627 -15.836
  555   2HE   LYS  70          1HE       LYS  70  -3.135   3.029 -15.867
  556   1HZ   LYS  70          1HZ       LYS  70  -1.019   2.525 -17.551
  557   2HZ   LYS  70          2HZ       LYS  70  -0.472   3.763 -16.538
  558   3HZ   LYS  70          3HZ       LYS  70  -1.895   3.967 -17.429
  559    H    GLU  71           H        GLU  71  -4.368   7.564 -15.042
  560    HA   GLU  71           HA       GLU  71  -2.607   9.681 -15.634
  561   1HB   GLU  71          2HB       GLU  71  -5.522   9.340 -16.342
  562   2HB   GLU  71          1HB       GLU  71  -4.443  10.531 -17.059
  563   1HG   GLU  71          2HG       GLU  71  -3.153   8.870 -18.120
  564   2HG   GLU  71          1HG       GLU  71  -3.893   7.583 -17.170
  565    H    LYS  72           H        LYS  72  -5.574   9.588 -13.690
  566    HA   LYS  72           HA       LYS  72  -5.495  12.434 -13.225
  567   1HB   LYS  72          2HB       LYS  72  -7.176  10.428 -11.736
  568   2HB   LYS  72          1HB       LYS  72  -7.487  12.142 -11.967
  569   1HG   LYS  72          2HG       LYS  72  -8.693  11.690 -13.757
  570   2HG   LYS  72          1HG       LYS  72  -7.291  10.948 -14.529
  571   1HD   LYS  72          2HD       LYS  72  -8.101   8.886 -14.223
  572   2HD   LYS  72          1HD       LYS  72  -8.493   9.212 -12.533
  573   1HE   LYS  72          2HE       LYS  72 -10.627   9.050 -13.191
  574   2HE   LYS  72          1HE       LYS  72 -10.394  10.667 -13.852
  575   1HZ   LYS  72          1HZ       LYS  72 -11.362   9.072 -15.445
  576   2HZ   LYS  72          2HZ       LYS  72  -9.940   8.160 -15.375
  577   3HZ   LYS  72          3HZ       LYS  72  -9.903   9.737 -15.985
  578    H    PHE  73           H        PHE  73  -4.878   9.514 -11.303
  579    HA   PHE  73           HA       PHE  73  -4.043  11.161  -9.044
  580   1HB   PHE  73          2HB       PHE  73  -4.232   8.153  -9.253
  581   2HB   PHE  73          1HB       PHE  73  -4.010   9.086  -7.778
  582    HD1  PHE  73           1HD      PHE  73  -6.104   7.214  -7.712
  583    HD2  PHE  73           2HD      PHE  73  -6.158  11.115  -9.412
  584    HE1  PHE  73           1HE      PHE  73  -8.544   7.304  -7.427
  585    HE2  PHE  73           2HE      PHE  73  -8.595  11.209  -9.134
  586    HZ   PHE  73           HZ       PHE  73  -9.794   9.303  -8.137
  587    H    GLY  74           H        GLY  74  -2.569   9.398 -11.623
  588   1HA   GLY  74          2HA       GLY  74  -0.065   9.045 -10.197
  589   2HA   GLY  74          1HA       GLY  74  -0.388   8.596 -11.863
  590    H    LYS  75           H        LYS  75   0.113  11.428  -9.766
  591    HA   LYS  75           HA       LYS  75   1.821  12.595 -11.802
  592   1HB   LYS  75          2HB       LYS  75  -0.718  13.885 -10.811
  593   2HB   LYS  75          1HB       LYS  75   0.604  14.823 -11.492
  594   1HG   LYS  75          2HG       LYS  75   0.215  12.862 -13.376
  595   2HG   LYS  75          1HG       LYS  75  -1.423  13.211 -12.815
  596   1HD   LYS  75          2HD       LYS  75  -1.269  15.472 -13.432
  597   2HD   LYS  75          1HD       LYS  75   0.489  15.401 -13.570
  598   1HE   LYS  75          2HE       LYS  75  -0.227  13.531 -15.385
  599   2HE   LYS  75          1HE       LYS  75  -1.601  14.629 -15.498
  600   1HZ   LYS  75          1HZ       LYS  75   1.137  15.704 -15.573
  601   2HZ   LYS  75          2HZ       LYS  75  -0.281  16.347 -16.231
  602   3HZ   LYS  75          3HZ       LYS  75   0.467  15.022 -16.968
  603    HA   PRO  76           HA       PRO  76   4.327  13.858  -8.420
  604   1HB   PRO  76          2HB       PRO  76   4.753  16.545  -9.094
  605   2HB   PRO  76          1HB       PRO  76   5.730  15.172  -9.619
  606   1HG   PRO  76          2HG       PRO  76   3.542  16.603 -11.052
  607   2HG   PRO  76          1HG       PRO  76   5.036  15.895 -11.695
  608   1HD   PRO  76          2HD       PRO  76   2.673  14.679 -12.017
  609   2HD   PRO  76          1HD       PRO  76   4.153  13.744 -11.711
  610    H    ASN  77           H        ASN  77   4.325  15.046  -6.487
  611    HA   ASN  77           HA       ASN  77   1.969  16.745  -6.006
  612   1HB   ASN  77          2HB       ASN  77   1.609  14.335  -5.267
  613   2HB   ASN  77          1HB       ASN  77   2.847  14.624  -4.048
  614   1HD2  ASN  77          1HD2      ASN  77   1.427  14.324  -2.355
  615   2HD2  ASN  77          2HD2      ASN  77   0.206  15.477  -1.950
  616    H    LYS  78           H        LYS  78   2.097  17.916  -3.905
  617    HA   LYS  78           HA       LYS  78   4.735  19.073  -3.640
  618   1HB   LYS  78          2HB       LYS  78   1.980  19.861  -2.997
  619   2HB   LYS  78          1HB       LYS  78   3.168  20.372  -1.805
  620   1HG   LYS  78          2HG       LYS  78   3.677  20.872  -4.701
  621   2HG   LYS  78          1HG       LYS  78   2.575  21.919  -3.804
  622   1HD   LYS  78          2HD       LYS  78   4.425  22.198  -2.105
  623   2HD   LYS  78          1HD       LYS  78   5.491  21.403  -3.266
  624   1HE   LYS  78          2HE       LYS  78   5.325  23.147  -4.799
  625   2HE   LYS  78          1HE       LYS  78   3.845  23.771  -4.070
  626   1HZ   LYS  78          1HZ       LYS  78   6.504  23.831  -2.749
  627   2HZ   LYS  78          2HZ       LYS  78   5.082  24.569  -2.208
  628   3HZ   LYS  78          3HZ       LYS  78   5.842  25.130  -3.611
  629    H    ARG  79           H        ARG  79   2.894  16.685  -2.042
  630    HA   ARG  79           HA       ARG  79   3.845  17.036   0.597
  631   1HB   ARG  79          2HB       ARG  79   2.707  14.678  -0.888
  632   2HB   ARG  79          1HB       ARG  79   3.257  14.538   0.776
  633   1HG   ARG  79          2HG       ARG  79   1.054  16.305  -0.263
  634   2HG   ARG  79          1HG       ARG  79   0.891  14.881   0.768
  635   1HD   ARG  79          2HD       ARG  79   0.995  16.243   2.522
  636   2HD   ARG  79          1HD       ARG  79   2.681  16.537   2.109
  637    HE   ARG  79           HE       ARG  79   0.495  18.189   1.024
  638   1HH1  ARG  79          1HH1      ARG  79   3.599  17.904   2.614
  639   2HH1  ARG  79          2HH1      ARG  79   3.890  19.609   2.609
  640   1HH2  ARG  79          1HH2      ARG  79   0.886  20.424   1.025
  641   2HH2  ARG  79          2HH2      ARG  79   2.353  21.038   1.712
  642    H    LYS  80           H        LYS  80   5.371  16.057  -2.232
  643    HA   LYS  80           HA       LYS  80   7.433  15.278  -2.713
  644   1HB   LYS  80          2HB       LYS  80   7.881  15.963   0.191
  645   2HB   LYS  80          1HB       LYS  80   9.160  15.372  -0.861
  646   1HG   LYS  80          2HG       LYS  80   7.689  17.974  -0.961
  647   2HG   LYS  80          1HG       LYS  80   9.426  17.675  -0.922
  648   1HD   LYS  80          2HD       LYS  80   9.213  16.666  -3.212
  649   2HD   LYS  80          1HD       LYS  80   7.536  17.219  -3.235
  650   1HE   LYS  80          2HE       LYS  80   8.133  19.440  -3.361
  651   2HE   LYS  80          1HE       LYS  80   9.702  19.172  -2.606
  652   1HZ   LYS  80          1HZ       LYS  80   9.535  19.638  -5.140
  653   2HZ   LYS  80          2HZ       LYS  80   9.161  17.992  -5.242
  654   3HZ   LYS  80          3HZ       LYS  80  10.633  18.484  -4.569
  655    H    GLY  81           H        GLY  81   8.448  13.334  -2.861
  656   1HA   GLY  81          2HA       GLY  81   8.966  11.119  -2.242
  657   2HA   GLY  81          1HA       GLY  81   7.859  11.267  -0.882
  658    H    PHE  82           H        PHE  82   5.914  12.493  -2.977
  659    HA   PHE  82           HA       PHE  82   4.308  10.242  -3.355
  660   1HB   PHE  82          2HB       PHE  82   3.512  12.585  -3.397
  661   2HB   PHE  82          1HB       PHE  82   4.328  12.821  -4.938
  662    HD1  PHE  82           1HD      PHE  82   3.581  11.474  -6.919
  663    HD2  PHE  82           2HD      PHE  82   1.375  11.654  -3.287
  664    HE1  PHE  82           1HE      PHE  82   1.580  10.679  -8.102
  665    HE2  PHE  82           2HE      PHE  82  -0.632  10.858  -4.460
  666    HZ   PHE  82           HZ       PHE  82  -0.534  10.365  -6.871
  667    H    SER  83           H        SER  83   6.207  12.035  -5.781
  668    HA   SER  83           HA       SER  83   5.774  10.381  -7.951
  669   1HB   SER  83          2HB       SER  83   8.506  11.521  -7.612
  670   2HB   SER  83          1HB       SER  83   7.442  11.546  -9.017
  671    HG   SER  83           HG       SER  83   7.681  13.606  -7.963
  672    H    GLU  84           H        GLU  84   8.312  10.126  -5.476
  673    HA   GLU  84           HA       GLU  84   9.806   8.052  -6.482
  674   1HB   GLU  84          2HB       GLU  84  10.205   9.329  -4.341
  675   2HB   GLU  84          1HB       GLU  84   9.007   8.292  -3.580
  676   1HG   GLU  84          2HG       GLU  84  10.622   6.857  -3.121
  677   2HG   GLU  84          1HG       GLU  84  10.795   6.562  -4.850
  678    H    GLY  85           H        GLY  85   6.601   7.967  -5.101
  679   1HA   GLY  85          2HA       GLY  85   6.509   5.126  -4.769
  680   2HA   GLY  85          1HA       GLY  85   5.139   6.226  -4.712
  681    H    LEU  86           H        LEU  86   5.715   7.360  -7.347
  682    HA   LEU  86           HA       LEU  86   4.138   5.655  -8.922
  683   1HB   LEU  86          2HB       LEU  86   5.771   8.090  -9.422
  684   2HB   LEU  86          1HB       LEU  86   5.292   7.141 -10.815
  685    HG   LEU  86           HG       LEU  86   3.381   8.292  -8.781
  686   1HD1  LEU  86          1HD1      LEU  86   3.497   9.240 -11.590
  687   2HD1  LEU  86          2HD1      LEU  86   4.744   9.804 -10.478
  688   3HD1  LEU  86          3HD1      LEU  86   3.043  10.100 -10.118
  689   1HD2  LEU  86          1HD2      LEU  86   2.311   7.566 -11.372
  690   2HD2  LEU  86          2HD2      LEU  86   1.760   7.120  -9.757
  691   3HD2  LEU  86          3HD2      LEU  86   3.025   6.180 -10.549
  692    H    TRP  87           H        TRP  87   7.634   6.157  -8.804
  693    HA   TRP  87           HA       TRP  87   8.318   4.466 -10.956
  694   1HB   TRP  87          2HB       TRP  87   9.905   6.076 -10.073
  695   2HB   TRP  87          1HB       TRP  87   9.897   5.283  -8.501
  696    HD1  TRP  87           HD       TRP  87  11.486   5.108 -11.921
  697    HE1  TRP  87           1HE      TRP  87  13.266   3.252 -11.945
  698    HE3  TRP  87           3HE      TRP  87  10.441   2.920  -7.416
  699    HZ2  TRP  87           2HZ      TRP  87  14.112   1.134 -10.279
  700    HZ3  TRP  87           3HZ      TRP  87  11.782   0.985  -6.707
  701    HH2  TRP  87           HH       TRP  87  13.578   0.110  -8.109
  702    H    GLU  88           H        GLU  88   8.096   3.830  -7.448
  703    HA   GLU  88           HA       GLU  88   9.004   1.177  -7.543
  704   1HB   GLU  88          2HB       GLU  88   7.283   2.679  -5.585
  705   2HB   GLU  88          1HB       GLU  88   7.684   0.984  -5.347
  706   1HG   GLU  88          2HG       GLU  88  10.053   1.531  -5.336
  707   2HG   GLU  88          1HG       GLU  88   9.671   3.229  -5.617
  708    H    ILE  89           H        ILE  89   5.644   2.412  -7.500
  709    HA   ILE  89           HA       ILE  89   4.331  -0.013  -7.511
  710    HB   ILE  89           HB       ILE  89   3.297   2.260  -7.298
  711   1HG1  ILE  89          2HG1      ILE  89   1.534   1.107  -9.285
  712   2HG1  ILE  89          1HG1      ILE  89   2.228  -0.142  -8.252
  713   1HG2  ILE  89          1HG2      ILE  89   4.298   2.566  -9.921
  714   2HG2  ILE  89          2HG2      ILE  89   3.407   3.729  -8.943
  715   3HG2  ILE  89          3HG2      ILE  89   2.539   2.628 -10.013
  716   1HD1  ILE  89          1HD1      ILE  89   1.507   1.843  -6.484
  717   2HD1  ILE  89          2HD1      ILE  89   0.622   0.351  -6.809
  718   3HD1  ILE  89          3HD1      ILE  89   0.198   1.832  -7.668
  719    H    GLU  90           H        GLU  90   6.050   1.532 -10.103
  720    HA   GLU  90           HA       GLU  90   4.973  -0.358 -12.059
  721   1HB   GLU  90          2HB       GLU  90   6.306   2.283 -12.212
  722   2HB   GLU  90          1HB       GLU  90   6.623   1.163 -13.531
  723   1HG   GLU  90          2HG       GLU  90   4.085   0.901 -13.673
  724   2HG   GLU  90          1HG       GLU  90   4.012   2.347 -12.668
  725    H    ASN  91           H        ASN  91   8.110   0.695 -10.747
  726    HA   ASN  91           HA       ASN  91   9.552  -1.268 -12.269
  727   1HB   ASN  91          2HB       ASN  91  10.219   0.969 -10.507
  728   2HB   ASN  91          1HB       ASN  91  11.294  -0.411 -10.311
  729   1HD2  ASN  91          1HD2      ASN  91   9.691   1.289 -12.987
  730   2HD2  ASN  91          2HD2      ASN  91  11.098   1.391 -13.985
  731    H    ASN  92           H        ASN  92   8.256  -1.057  -9.020
  732    HA   ASN  92           HA       ASN  92   8.702  -3.884  -8.664
  733   1HB   ASN  92          2HB       ASN  92  10.596  -2.042  -7.633
  734   2HB   ASN  92          1HB       ASN  92   9.690  -2.675  -6.264
  735   1HD2  ASN  92          1HD2      ASN  92  11.956  -3.473  -5.862
  736   2HD2  ASN  92          2HD2      ASN  92  12.348  -5.037  -6.483
  737    HA   PRO  93           HA       PRO  93   4.825  -2.394  -6.699
  738   1HB   PRO  93          2HB       PRO  93   3.712  -4.913  -7.656
  739   2HB   PRO  93          1HB       PRO  93   3.225  -3.262  -8.047
  740   1HG   PRO  93          2HG       PRO  93   4.425  -4.902  -9.842
  741   2HG   PRO  93          1HG       PRO  93   4.624  -3.140  -9.865
  742   1HD   PRO  93          2HD       PRO  93   6.474  -5.243  -8.797
  743   2HD   PRO  93          1HD       PRO  93   6.852  -3.781  -9.737
  744    H    THR  94           H        THR  94   6.810  -5.165  -6.321
  745    HA   THR  94           HA       THR  94   5.324  -5.987  -3.922
  746    HB   THR  94           HB       THR  94   6.347  -8.122  -4.096
  747    HG1  THR  94           1HG      THR  94   8.442  -7.557  -4.608
  748   1HG2  THR  94          1HG2      THR  94   4.652  -8.190  -5.661
  749   2HG2  THR  94          2HG2      THR  94   6.060  -8.716  -6.584
  750   3HG2  THR  94          3HG2      THR  94   5.467  -7.063  -6.744
  751    H    VAL  95           H        VAL  95   7.478  -3.775  -4.414
  752    HA   VAL  95           HA       VAL  95   9.776  -4.480  -2.972
  753    HB   VAL  95           HB       VAL  95   9.636  -2.483  -4.404
  754   1HG1  VAL  95          1HG1      VAL  95   8.602  -0.517  -2.733
  755   2HG1  VAL  95          2HG1      VAL  95   7.443  -1.841  -2.636
  756   3HG1  VAL  95          3HG1      VAL  95   7.865  -1.153  -4.203
  757   1HG2  VAL  95          1HG2      VAL  95  11.175  -2.809  -2.275
  758   2HG2  VAL  95          2HG2      VAL  95  10.298  -1.381  -1.729
  759   3HG2  VAL  95          3HG2      VAL  95  11.215  -1.329  -3.234
  760    H    LYS  96           H        LYS  96  10.427  -3.999  -0.859
  761    HA   LYS  96           HA       LYS  96   8.490  -3.078   1.084
  762   1HB   LYS  96          2HB       LYS  96   8.694  -5.093   2.500
  763   2HB   LYS  96          1HB       LYS  96   7.907  -5.431   0.966
  764   1HG   LYS  96          2HG       LYS  96  10.128  -6.239   0.119
  765   2HG   LYS  96          1HG       LYS  96  10.722  -6.104   1.775
  766   1HD   LYS  96          2HD       LYS  96   8.353  -7.513   2.033
  767   2HD   LYS  96          1HD       LYS  96   9.067  -8.155   0.552
  768   1HE   LYS  96          2HE       LYS  96  10.831  -7.810   2.918
  769   2HE   LYS  96          1HE       LYS  96   9.665  -9.133   2.943
  770   1HZ   LYS  96          1HZ       LYS  96  11.613  -8.679   0.750
  771   2HZ   LYS  96          2HZ       LYS  96  10.599 -10.018   0.949
  772   3HZ   LYS  96          3HZ       LYS  96  11.867  -9.749   2.037
  773    H    ALA  97           H        ALA  97   9.540  -1.791   2.437
  774    HA   ALA  97           HA       ALA  97  11.169  -0.850   3.714
  775   1HB   ALA  97          1HB       ALA  97  13.142  -2.521   4.275
  776   2HB   ALA  97          2HB       ALA  97  11.983  -3.707   3.676
  777   3HB   ALA  97          3HB       ALA  97  11.557  -2.668   5.035
  778    H    SER  98           H        SER  98  13.234  -3.063   1.852
  779    HA   SER  98           HA       SER  98  14.268  -0.795   0.320
  780   1HB   SER  98          2HB       SER  98  15.766  -2.390   2.320
  781   2HB   SER  98          1HB       SER  98  16.600  -2.067   0.800
  782    HG   SER  98           HG       SER  98  17.064  -0.320   1.980
  783    H    GLY  99           H        GLY  99  15.991  -1.704  -1.312
  784   1HA   GLY  99          2HA       GLY  99  14.661  -3.396  -3.087
  785   2HA   GLY  99          1HA       GLY  99  16.374  -3.013  -3.158
  786    H    TYR 100           H        TYR 100  17.864  -4.486  -2.454
  787    HA   TYR 100           HA       TYR 100  18.728  -6.523  -1.925
  788   1HB   TYR 100          2HB       TYR 100  16.685  -5.992   0.042
  789   2HB   TYR 100          1HB       TYR 100  16.775  -7.720  -0.283
  790    HD1  TYR 100           1HD      TYR 100  18.829  -8.966   0.190
  791    HD2  TYR 100           2HD      TYR 100  18.485  -4.833   1.129
  792    HE1  TYR 100           1HE      TYR 100  20.795  -9.142   1.654
  793    HE2  TYR 100           2HE      TYR 100  20.450  -4.995   2.594
  794    HH   TYR 100           HH       TYR 100  21.592  -6.959   3.936
  795    H    GLN 101           H        GLN 101  17.769  -9.009  -1.574
  796    HA   GLN 101           HA       GLN 101  15.683  -9.643  -3.446
  797   1HB   GLN 101          2HB       GLN 101  17.134 -10.996  -4.940
  798   2HB   GLN 101          1HB       GLN 101  17.458  -9.271  -5.040
  799   1HG   GLN 101          2HG       GLN 101  19.389  -9.576  -3.542
  800   2HG   GLN 101          1HG       GLN 101  19.081 -11.311  -3.537
  801   1HE2  GLN 101          1HE2      GLN 101  21.264 -11.467  -4.354
  802   2HE2  GLN 101          2HE2      GLN 101  21.555 -11.267  -6.045
  803    H    SER 102           H        SER 102  18.485 -10.874  -1.651
  804    HA   SER 102           HA       SER 102  16.780 -12.952  -0.512
  805   1HB   SER 102          2HB       SER 102  17.787 -14.129  -2.351
  806   2HB   SER 102          1HB       SER 102  19.382 -13.487  -1.956
  807    HG   SER 102           HG       SER 102  18.503 -15.744  -1.183
  808    H    SER 103           H        SER 103  17.356 -13.588   1.544
  809    HA   SER 103           HA       SER 103  19.532 -12.033   2.775
  810   1HB   SER 103          2HB       SER 103  16.792 -12.407   3.522
  811   2HB   SER 103          1HB       SER 103  17.818 -13.099   4.778
  812    HG   SER 103           HG       SER 103  17.247 -10.700   4.761
  813    H    GLN 104           H        GLN 104  20.533 -13.097   4.717
  814    HA   GLN 104           HA       GLN 104  20.461 -15.969   4.846
  815   1HB   GLN 104          2HB       GLN 104  22.108 -14.999   2.915
  816   2HB   GLN 104          1HB       GLN 104  23.206 -15.036   4.288
  817   1HG   GLN 104          2HG       GLN 104  21.724 -17.481   4.178
  818   2HG   GLN 104          1HG       GLN 104  22.458 -17.156   2.608
  819   1HE2  GLN 104          1HE2      GLN 104  23.062 -19.197   4.638
  820   2HE2  GLN 104          2HE2      GLN 104  24.739 -19.004   5.008
  821    H    LYS 105           H        LYS 105  20.128 -13.631   6.601
  822    HA   LYS 105           HA       LYS 105  20.604 -13.015   8.738
  823   1HB   LYS 105          2HB       LYS 105  20.588 -15.633   8.863
  824   2HB   LYS 105          1HB       LYS 105  22.322 -15.443   9.087
  825   1HG   LYS 105          2HG       LYS 105  22.082 -14.802  11.203
  826   2HG   LYS 105          1HG       LYS 105  20.783 -13.678  10.804
  827   1HD   LYS 105          2HD       LYS 105  19.218 -15.109  11.500
  828   2HD   LYS 105          1HD       LYS 105  19.920 -16.435  10.573
  829   1HE   LYS 105          2HE       LYS 105  21.722 -16.258  12.558
  830   2HE   LYS 105          1HE       LYS 105  20.286 -15.691  13.408
  831   1HZ   LYS 105          1HZ       LYS 105  20.436 -18.237  11.889
  832   2HZ   LYS 105          2HZ       LYS 105  19.149 -17.708  12.850
  833   3HZ   LYS 105          3HZ       LYS 105  20.628 -18.112  13.566
  834    H    LYS 106           H        LYS 106  21.883 -11.312   8.985
  835    HA   LYS 106           HA       LYS 106  24.741 -11.581   8.337
  836   1HB   LYS 106          2HB       LYS 106  23.028  -9.096   8.512
  837   2HB   LYS 106          1HB       LYS 106  24.746  -9.116   8.142
  838   1HG   LYS 106          2HG       LYS 106  24.054  -9.101   6.017
  839   2HG   LYS 106          1HG       LYS 106  23.802 -10.829   6.270
  840   1HD   LYS 106          2HD       LYS 106  21.829  -9.859   5.262
  841   2HD   LYS 106          1HD       LYS 106  21.463 -10.359   6.915
  842   1HE   LYS 106          2HE       LYS 106  20.588  -8.088   6.181
  843   2HE   LYS 106          1HE       LYS 106  21.476  -8.145   7.702
  844   1HZ   LYS 106          1HZ       LYS 106  22.970  -7.565   5.251
  845   2HZ   LYS 106          2HZ       LYS 106  23.232  -7.015   6.829
  846   3HZ   LYS 106          3HZ       LYS 106  21.994  -6.342   5.894
  847    H    SER 107           H        SER 107  25.178 -12.550  10.400
  848    HA   SER 107           HA       SER 107  25.829 -10.591  12.402
  849   1HB   SER 107          2HB       SER 107  23.330 -11.588  12.686
  850   2HB   SER 107          1HB       SER 107  24.247 -12.804  13.578
  851    HG   SER 107           HG       SER 107  23.507 -10.927  14.813
  852    H    CYS 108           H        CYS 108  27.204 -12.511  10.709
  853    HA   CYS 108           HA       CYS 108  28.794 -13.782  12.775
  854   1HB   CYS 108          2HB       CYS 108  27.097 -15.489  12.212
  855   2HB   CYS 108          1HB       CYS 108  27.591 -15.409  10.524
  856    HG   CYS 108           HG       CYS 108  29.021 -16.935  12.731
  857    H    ALA 109           H        ALA 109  30.913 -14.181  12.157
  858    HA   ALA 109           HA       ALA 109  31.738 -12.806   9.720
  859   1HB   ALA 109          1HB       ALA 109  33.913 -13.845  11.313
  860   2HB   ALA 109          2HB       ALA 109  32.780 -12.921  12.299
  861   3HB   ALA 109          3HB       ALA 109  33.527 -12.178  10.884
  862    H    GLU 110           H        GLU 110  31.162 -14.348   8.157
  863    HA   GLU 110           HA       GLU 110  33.101 -16.507   7.884
  864   1HB   GLU 110          2HB       GLU 110  31.270 -18.100   7.224
  865   2HB   GLU 110          1HB       GLU 110  31.316 -17.692   8.933
  866   1HG   GLU 110          2HG       GLU 110  29.076 -17.549   8.494
  867   2HG   GLU 110          1HG       GLU 110  29.577 -15.875   8.266
  Start of MODEL    6
    1   1H    MET   1          1HT       MET   1 -17.702   9.461 -13.370
    2   2H    MET   1          2HT       MET   1 -17.569  11.003 -14.112
    3   3H    MET   1          3HT       MET   1 -16.157  10.161 -13.618
    4    HA   MET   1           HA       MET   1 -16.687  10.149 -16.033
    5   1HB   MET   1          2HB       MET   1 -15.589   8.267 -14.263
    6   2HB   MET   1          1HB       MET   1 -16.588   7.332 -15.367
    7   1HG   MET   1          2HG       MET   1 -14.786   7.333 -16.676
    8   2HG   MET   1          1HG       MET   1 -15.280   8.974 -17.089
    9   1HE   MET   1          1HE       MET   1 -14.902  10.790 -15.424
   10   2HE   MET   1          2HE       MET   1 -13.313  11.311 -15.982
   11   3HE   MET   1          3HE       MET   1 -13.563  10.912 -14.283
   12    H    SER   2           H        SER   2 -17.785   8.812 -17.665
   13    HA   SER   2           HA       SER   2 -20.545   8.193 -16.838
   14   1HB   SER   2          2HB       SER   2 -20.407  10.100 -18.377
   15   2HB   SER   2          1HB       SER   2 -19.529   9.108 -19.541
   16    HG   SER   2           HG       SER   2 -21.393   8.471 -20.239
   17    H    ARG   3           H        ARG   3 -18.303   6.352 -16.728
   18    HA   ARG   3           HA       ARG   3 -18.874   4.488 -18.911
   19   1HB   ARG   3          2HB       ARG   3 -16.558   5.094 -17.320
   20   2HB   ARG   3          1HB       ARG   3 -16.949   3.387 -17.159
   21   1HG   ARG   3          2HG       ARG   3 -17.183   3.910 -19.880
   22   2HG   ARG   3          1HG       ARG   3 -15.752   4.805 -19.366
   23   1HD   ARG   3          2HD       ARG   3 -16.065   2.019 -18.391
   24   2HD   ARG   3          1HD       ARG   3 -15.650   2.248 -20.089
   25    HE   ARG   3           HE       ARG   3 -13.878   3.832 -18.793
   26   1HH1  ARG   3          1HH1      ARG   3 -14.775   0.475 -18.463
   27   2HH1  ARG   3          2HH1      ARG   3 -13.209  -0.019 -17.914
   28   1HH2  ARG   3          1HH2      ARG   3 -11.817   3.184 -18.071
   29   2HH2  ARG   3          2HH2      ARG   3 -11.530   1.519 -17.690
   30    H    SER   4           H        SER   4 -19.910   2.587 -18.629
   31    HA   SER   4           HA       SER   4 -21.397   2.203 -16.210
   32   1HB   SER   4          2HB       SER   4 -21.954  -0.036 -17.538
   33   2HB   SER   4          1HB       SER   4 -22.666   1.510 -17.999
   34    HG   SER   4           HG       SER   4 -20.966  -0.081 -19.382
   35    H    ASN   5           H        ASN   5 -20.772   1.116 -14.472
   36    HA   ASN   5           HA       ASN   5 -19.230  -1.300 -14.661
   37   1HB   ASN   5          2HB       ASN   5 -17.577   0.697 -14.741
   38   2HB   ASN   5          1HB       ASN   5 -17.963   0.888 -13.034
   39   1HD2  ASN   5          1HD2      ASN   5 -16.612  -1.268 -15.437
   40   2HD2  ASN   5          2HD2      ASN   5 -15.696  -2.232 -14.333
   41    H    ARG   6           H        ARG   6 -19.539  -2.603 -12.914
   42    HA   ARG   6           HA       ARG   6 -20.602  -1.480 -10.447
   43   1HB   ARG   6          2HB       ARG   6 -22.516  -3.002 -10.403
   44   2HB   ARG   6          1HB       ARG   6 -22.600  -1.924 -11.789
   45   1HG   ARG   6          2HG       ARG   6 -21.988  -3.644 -13.287
   46   2HG   ARG   6          1HG       ARG   6 -21.506  -4.715 -11.970
   47   1HD   ARG   6          2HD       ARG   6 -23.598  -5.438 -11.650
   48   2HD   ARG   6          1HD       ARG   6 -24.264  -3.810 -11.748
   49    HE   ARG   6           HE       ARG   6 -23.481  -5.028 -14.264
   50   1HH1  ARG   6          1HH1      ARG   6 -26.066  -4.334 -12.017
   51   2HH1  ARG   6          2HH1      ARG   6 -27.313  -4.540 -13.200
   52   1HH2  ARG   6          1HH2      ARG   6 -25.125  -5.302 -15.814
   53   2HH2  ARG   6          2HH2      ARG   6 -26.780  -5.091 -15.352
   54    H    GLN   7           H        GLN   7 -18.126  -2.787 -11.226
   55    HA   GLN   7           HA       GLN   7 -18.285  -5.164  -9.491
   56   1HB   GLN   7          2HB       GLN   7 -16.324  -4.740 -11.751
   57   2HB   GLN   7          1HB       GLN   7 -16.506  -6.188 -10.770
   58   1HG   GLN   7          2HG       GLN   7 -18.412  -6.849 -11.846
   59   2HG   GLN   7          1HG       GLN   7 -18.852  -5.206 -12.309
   60   1HE2  GLN   7          1HE2      GLN   7 -19.235  -6.449 -14.359
   61   2HE2  GLN   7          2HE2      GLN   7 -17.914  -6.558 -15.467
   62    H    LYS   8           H        LYS   8 -16.912  -5.257  -7.795
   63    HA   LYS   8           HA       LYS   8 -14.598  -3.490  -7.707
   64   1HB   LYS   8          2HB       LYS   8 -16.910  -2.572  -6.627
   65   2HB   LYS   8          1HB       LYS   8 -16.226  -3.413  -5.243
   66   1HG   LYS   8          2HG       LYS   8 -14.079  -2.002  -6.169
   67   2HG   LYS   8          1HG       LYS   8 -15.422  -0.908  -6.505
   68   1HD   LYS   8          2HD       LYS   8 -16.150  -1.406  -4.085
   69   2HD   LYS   8          1HD       LYS   8 -14.512  -2.026  -3.873
   70   1HE   LYS   8          2HE       LYS   8 -14.149   0.135  -3.263
   71   2HE   LYS   8          1HE       LYS   8 -13.900   0.298  -5.000
   72   1HZ   LYS   8          1HZ       LYS   8 -16.610   0.618  -4.593
   73   2HZ   LYS   8          2HZ       LYS   8 -15.487   1.825  -4.974
   74   3HZ   LYS   8          3HZ       LYS   8 -15.868   1.506  -3.358
   75    H    GLU   9           H        GLU   9 -14.273  -3.839  -4.849
   76    HA   GLU   9           HA       GLU   9 -13.562  -5.326  -3.255
   77   1HB   GLU   9          2HB       GLU   9 -14.709  -7.293  -5.193
   78   2HB   GLU   9          1HB       GLU   9 -13.560  -7.869  -3.998
   79   1HG   GLU   9          2HG       GLU   9 -15.639  -6.169  -2.873
   80   2HG   GLU   9          1HG       GLU   9 -16.261  -7.626  -3.646
   81    H    TYR  10           H        TYR  10 -11.480  -5.774  -2.798
   82    HA   TYR  10           HA       TYR  10  -9.676  -6.277  -5.079
   83   1HB   TYR  10          2HB       TYR  10  -8.964  -4.588  -2.679
   84   2HB   TYR  10          1HB       TYR  10  -8.063  -4.762  -4.183
   85    HD1  TYR  10           1HD      TYR  10  -8.364  -3.210  -5.890
   86    HD2  TYR  10           2HD      TYR  10 -11.340  -3.564  -2.872
   87    HE1  TYR  10           1HE      TYR  10  -9.541  -1.268  -6.832
   88    HE2  TYR  10           2HE      TYR  10 -12.526  -1.621  -3.805
   89    HH   TYR  10           HH       TYR  10 -12.528  -0.540  -6.403
   90    H    LYS  11           H        LYS  11  -7.509  -7.128  -4.368
   91    HA   LYS  11           HA       LYS  11  -7.652  -8.733  -1.931
   92   1HB   LYS  11          2HB       LYS  11  -7.296  -9.784  -4.723
   93   2HB   LYS  11          1HB       LYS  11  -6.667 -10.661  -3.335
   94   1HG   LYS  11          2HG       LYS  11  -9.549  -9.877  -3.711
   95   2HG   LYS  11          1HG       LYS  11  -8.874 -11.466  -4.076
   96   1HD   LYS  11          2HD       LYS  11  -8.133 -10.680  -1.416
   97   2HD   LYS  11          1HD       LYS  11  -9.880 -10.537  -1.616
   98   1HE   LYS  11          2HE       LYS  11  -8.195 -12.977  -2.159
   99   2HE   LYS  11          1HE       LYS  11  -9.321 -12.753  -0.823
  100   1HZ   LYS  11          1HZ       LYS  11 -10.967 -13.469  -2.097
  101   2HZ   LYS  11          2HZ       LYS  11  -9.864 -13.789  -3.338
  102   3HZ   LYS  11          3HZ       LYS  11 -10.647 -12.292  -3.271
  103    H    CYS  12           H        CYS  12  -5.520  -9.783  -1.446
  104    HA   CYS  12           HA       CYS  12  -3.495  -7.925  -1.226
  105   1HB   CYS  12          2HB       CYS  12  -3.320 -10.944  -1.235
  106   2HB   CYS  12          1HB       CYS  12  -2.004  -9.883  -0.742
  107    HG   CYS  12           HG       CYS  12  -3.833 -10.852   1.175
  108    H    GLY  13           H        GLY  13  -2.043  -7.087  -2.617
  109   1HA   GLY  13          2HA       GLY  13  -0.306  -7.382  -4.251
  110   2HA   GLY  13          1HA       GLY  13  -1.242  -8.695  -4.943
  111    H    ASP  14           H        ASP  14  -3.657  -6.756  -4.555
  112    HA   ASP  14           HA       ASP  14  -3.672  -5.830  -7.243
  113   1HB   ASP  14          2HB       ASP  14  -5.612  -6.399  -5.444
  114   2HB   ASP  14          1HB       ASP  14  -5.603  -4.641  -5.342
  115    H    LEU  15           H        LEU  15  -3.357  -3.819  -8.090
  116    HA   LEU  15           HA       LEU  15  -2.022  -1.881  -6.366
  117   1HB   LEU  15          2HB       LEU  15  -2.412  -1.868  -9.361
  118   2HB   LEU  15          1HB       LEU  15  -1.422  -0.743  -8.453
  119    HG   LEU  15           HG       LEU  15  -0.914  -3.712  -8.661
  120   1HD1  LEU  15          1HD1      LEU  15   1.197  -2.477  -9.839
  121   2HD1  LEU  15          2HD1      LEU  15  -0.136  -1.432 -10.334
  122   3HD1  LEU  15          3HD1      LEU  15  -0.182  -3.156 -10.706
  123   1HD2  LEU  15          1HD2      LEU  15  -0.160  -2.450  -6.570
  124   2HD2  LEU  15          2HD2      LEU  15   0.968  -1.610  -7.633
  125   3HD2  LEU  15          3HD2      LEU  15   1.062  -3.363  -7.455
  126    H    VAL  16           H        VAL  16  -3.092  -0.246  -5.494
  127    HA   VAL  16           HA       VAL  16  -5.333   0.938  -6.958
  128    HB   VAL  16           HB       VAL  16  -6.678   1.048  -4.873
  129   1HG1  VAL  16          1HG1      VAL  16  -7.618  -1.087  -5.117
  130   2HG1  VAL  16          2HG1      VAL  16  -6.074  -1.809  -5.567
  131   3HG1  VAL  16          3HG1      VAL  16  -6.899  -0.725  -6.685
  132   1HG2  VAL  16          1HG2      VAL  16  -6.136  -0.313  -2.982
  133   2HG2  VAL  16          2HG2      VAL  16  -4.737   0.700  -3.338
  134   3HG2  VAL  16          3HG2      VAL  16  -4.740  -0.999  -3.810
  135    H    PHE  17           H        PHE  17  -6.181   2.888  -5.697
  136    HA   PHE  17           HA       PHE  17  -3.885   4.462  -4.718
  137   1HB   PHE  17          2HB       PHE  17  -6.214   5.143  -6.464
  138   2HB   PHE  17          1HB       PHE  17  -5.584   6.393  -5.397
  139    HD1  PHE  17           1HD      PHE  17  -5.463   5.297  -8.607
  140    HD2  PHE  17           2HD      PHE  17  -2.837   6.321  -5.430
  141    HE1  PHE  17           1HE      PHE  17  -3.692   5.779 -10.236
  142    HE2  PHE  17           2HE      PHE  17  -1.054   6.804  -7.047
  143    HZ   PHE  17           HZ       PHE  17  -1.478   6.538  -9.462
  144    H    ALA  18           H        ALA  18  -4.068   5.446  -2.731
  145    HA   ALA  18           HA       ALA  18  -6.602   5.002  -1.301
  146   1HB   ALA  18          1HB       ALA  18  -4.693   5.477   0.636
  147   2HB   ALA  18          2HB       ALA  18  -3.831   4.526  -0.573
  148   3HB   ALA  18          3HB       ALA  18  -5.315   3.900   0.148
  149    H    LYS  19           H        LYS  19  -7.724   6.708  -0.682
  150    HA   LYS  19           HA       LYS  19  -6.564   9.357  -0.972
  151   1HB   LYS  19          2HB       LYS  19  -8.836   8.726  -1.902
  152   2HB   LYS  19          1HB       LYS  19  -9.408   8.666  -0.241
  153   1HG   LYS  19          2HG       LYS  19 -10.023  10.782  -0.932
  154   2HG   LYS  19          1HG       LYS  19  -8.507  11.073  -0.075
  155   1HD   LYS  19          2HD       LYS  19  -7.712  10.549  -2.676
  156   2HD   LYS  19          1HD       LYS  19  -9.181  11.506  -2.869
  157   1HE   LYS  19          2HE       LYS  19  -6.799  12.263  -1.183
  158   2HE   LYS  19          1HE       LYS  19  -7.169  12.910  -2.780
  159   1HZ   LYS  19          1HZ       LYS  19  -8.003  14.490  -1.321
  160   2HZ   LYS  19          2HZ       LYS  19  -8.611  13.340  -0.240
  161   3HZ   LYS  19          3HZ       LYS  19  -9.378  13.592  -1.726
  162    H    MET  20           H        MET  20  -6.050  10.676   0.650
  163    HA   MET  20           HA       MET  20  -6.876   9.939   3.376
  164   1HB   MET  20          2HB       MET  20  -4.151  10.292   2.286
  165   2HB   MET  20          1HB       MET  20  -4.456  11.071   3.833
  166   1HG   MET  20          2HG       MET  20  -5.436   8.745   4.487
  167   2HG   MET  20          1HG       MET  20  -4.457   8.175   3.138
  168   1HE   MET  20          1HE       MET  20  -1.728   7.395   3.785
  169   2HE   MET  20          2HE       MET  20  -0.904   8.932   4.043
  170   3HE   MET  20          3HE       MET  20  -2.125   8.787   2.778
  171    H    LYS  21           H        LYS  21  -6.939  11.698   4.890
  172    HA   LYS  21           HA       LYS  21  -8.019  14.075   3.782
  173   1HB   LYS  21          2HB       LYS  21  -8.013  12.818   6.280
  174   2HB   LYS  21          1HB       LYS  21  -7.204  14.355   6.552
  175   1HG   LYS  21          2HG       LYS  21  -9.801  14.247   5.075
  176   2HG   LYS  21          1HG       LYS  21  -9.760  14.211   6.839
  177   1HD   LYS  21          2HD       LYS  21  -8.343  16.299   6.727
  178   2HD   LYS  21          1HD       LYS  21  -8.732  16.369   5.006
  179   1HE   LYS  21          2HE       LYS  21 -10.875  16.999   5.379
  180   2HE   LYS  21          1HE       LYS  21 -11.014  16.041   6.852
  181   1HZ   LYS  21          1HZ       LYS  21  -9.359  17.834   7.747
  182   2HZ   LYS  21          2HZ       LYS  21 -11.022  18.142   7.703
  183   3HZ   LYS  21          3HZ       LYS  21 -10.015  18.774   6.501
  184    H    GLY  22           H        GLY  22  -6.947  15.760   2.983
  185   1HA   GLY  22          2HA       GLY  22  -5.436  17.551   3.074
  186   2HA   GLY  22          1HA       GLY  22  -4.528  16.696   4.310
  187    H    TYR  23           H        TYR  23  -4.830  14.306   2.265
  188    HA   TYR  23           HA       TYR  23  -2.603  15.149   0.518
  189   1HB   TYR  23          2HB       TYR  23  -2.823  12.317   1.481
  190   2HB   TYR  23          1HB       TYR  23  -1.404  13.197   0.928
  191    HD1  TYR  23           1HD      TYR  23  -2.579  11.648   3.669
  192    HD2  TYR  23           2HD      TYR  23  -1.190  15.510   2.550
  193    HE1  TYR  23           1HE      TYR  23  -1.962  12.096   6.006
  194    HE2  TYR  23           2HE      TYR  23  -0.567  15.968   4.884
  195    HH   TYR  23           HH       TYR  23  -0.253  15.037   6.932
  196    HA   PRO  24           HA       PRO  24  -5.110  13.492  -2.724
  197   1HB   PRO  24          2HB       PRO  24  -3.319  13.372  -4.708
  198   2HB   PRO  24          1HB       PRO  24  -3.841  14.921  -4.033
  199   1HG   PRO  24          2HG       PRO  24  -1.329  13.383  -3.533
  200   2HG   PRO  24          1HG       PRO  24  -1.557  15.131  -3.717
  201   1HD   PRO  24          2HD       PRO  24  -1.312  13.813  -1.295
  202   2HD   PRO  24          1HD       PRO  24  -2.059  15.408  -1.512
  203    H    HIS  25           H        HIS  25  -5.250  11.689  -4.291
  204    HA   HIS  25           HA       HIS  25  -5.006   9.194  -3.179
  205   1HB   HIS  25          2HB       HIS  25  -4.853   9.892  -6.123
  206   2HB   HIS  25          1HB       HIS  25  -5.227   8.302  -5.470
  207    HD1  HIS  25           1HD      HIS  25  -6.662  11.790  -5.674
  208    HD2  HIS  25           2HD      HIS  25  -7.859   7.910  -4.792
  209    HE1  HIS  25           1HE      HIS  25  -9.166  11.888  -5.481
  210    HE2  HIS  25           2HE      HIS  25  -9.864   9.542  -4.881
  211    H    TRP  26           H        TRP  26  -3.199   8.215  -2.448
  212    HA   TRP  26           HA       TRP  26  -0.645   8.695  -3.799
  213   1HB   TRP  26          2HB       TRP  26  -1.157   8.811  -1.201
  214   2HB   TRP  26          1HB       TRP  26  -0.862   7.079  -1.299
  215    HD1  TRP  26           HD       TRP  26   1.653   6.377  -2.289
  216    HE1  TRP  26           1HE      TRP  26   3.913   7.562  -1.906
  217    HE3  TRP  26           3HE      TRP  26  -0.056  10.977  -0.859
  218    HZ2  TRP  26           2HZ      TRP  26   4.834  10.108  -1.111
  219    HZ3  TRP  26           3HZ      TRP  26   1.563  12.723  -0.307
  220    HH2  TRP  26           HH       TRP  26   3.949  12.299  -0.430
  221    HA   PRO  27           HA       PRO  27  -0.848   4.766  -5.922
  222   1HB   PRO  27          2HB       PRO  27   1.912   4.413  -6.082
  223   2HB   PRO  27          1HB       PRO  27   0.925   5.284  -7.257
  224   1HG   PRO  27          2HG       PRO  27   2.580   6.346  -5.011
  225   2HG   PRO  27          1HG       PRO  27   2.331   7.010  -6.636
  226   1HD   PRO  27          2HD       PRO  27   1.090   8.047  -4.502
  227   2HD   PRO  27          1HD       PRO  27   0.274   7.935  -6.077
  228    H    ALA  28           H        ALA  28  -1.365   2.989  -4.818
  229    HA   ALA  28           HA       ALA  28   0.558   1.932  -2.882
  230   1HB   ALA  28          1HB       ALA  28  -2.154   1.702  -1.893
  231   2HB   ALA  28          2HB       ALA  28  -1.642   3.378  -2.084
  232   3HB   ALA  28          3HB       ALA  28  -0.697   2.277  -1.082
  233    H    ARG  29           H        ARG  29  -0.330  -0.214  -1.965
  234    HA   ARG  29           HA       ARG  29  -1.819  -1.753  -3.951
  235   1HB   ARG  29          2HB       ARG  29   0.661  -1.913  -4.430
  236   2HB   ARG  29          1HB       ARG  29   0.835  -2.707  -2.871
  237   1HG   ARG  29          2HG       ARG  29  -0.633  -4.504  -3.606
  238   2HG   ARG  29          1HG       ARG  29  -0.848  -3.700  -5.162
  239   1HD   ARG  29          2HD       ARG  29   0.933  -4.790  -5.911
  240   2HD   ARG  29          1HD       ARG  29   1.922  -3.880  -4.771
  241    HE   ARG  29           HE       ARG  29   1.020  -5.870  -3.232
  242   1HH1  ARG  29          1HH1      ARG  29   2.441  -5.894  -6.421
  243   2HH1  ARG  29          2HH1      ARG  29   3.123  -7.475  -6.242
  244   1HH2  ARG  29          1HH2      ARG  29   1.915  -7.951  -2.996
  245   2HH2  ARG  29          2HH2      ARG  29   2.825  -8.643  -4.298
  246    H    ILE  30           H        ILE  30  -2.590  -3.823  -3.103
  247    HA   ILE  30           HA       ILE  30  -3.297  -3.623  -0.305
  248    HB   ILE  30           HB       ILE  30  -3.901  -5.893  -2.204
  249   1HG1  ILE  30          2HG1      ILE  30  -4.684  -3.702  -3.087
  250   2HG1  ILE  30          1HG1      ILE  30  -6.006  -4.797  -2.694
  251   1HG2  ILE  30          1HG2      ILE  30  -4.323  -6.603  -0.006
  252   2HG2  ILE  30          2HG2      ILE  30  -5.894  -6.107  -0.634
  253   3HG2  ILE  30          3HG2      ILE  30  -5.004  -5.043   0.456
  254   1HD1  ILE  30          1HD1      ILE  30  -6.585  -2.603  -1.964
  255   2HD1  ILE  30          2HD1      ILE  30  -5.063  -2.437  -1.089
  256   3HD1  ILE  30          3HD1      ILE  30  -6.275  -3.595  -0.539
  257    H    ASP  31           H        ASP  31  -2.533  -4.890   1.361
  258    HA   ASP  31           HA       ASP  31  -0.433  -6.827   0.664
  259   1HB   ASP  31          2HB       ASP  31   0.189  -4.503   1.753
  260   2HB   ASP  31          1HB       ASP  31  -0.279  -5.327   3.237
  261    H    GLU  32           H        GLU  32  -3.275  -6.201   2.540
  262    HA   GLU  32           HA       GLU  32  -3.389  -8.947   3.341
  263   1HB   GLU  32          2HB       GLU  32  -1.959  -7.407   5.063
  264   2HB   GLU  32          1HB       GLU  32  -3.575  -7.237   5.734
  265   1HG   GLU  32          2HG       GLU  32  -2.770  -9.059   6.876
  266   2HG   GLU  32          1HG       GLU  32  -3.650  -9.820   5.553
  267    H    MET  33           H        MET  33  -5.404  -9.556   4.229
  268    HA   MET  33           HA       MET  33  -7.558  -7.735   3.506
  269   1HB   MET  33          2HB       MET  33  -7.669 -10.631   4.372
  270   2HB   MET  33          1HB       MET  33  -9.012  -9.693   3.736
  271   1HG   MET  33          2HG       MET  33  -6.544  -9.970   2.099
  272   2HG   MET  33          1HG       MET  33  -7.663 -11.328   2.208
  273   1HE   MET  33          1HE       MET  33  -7.357  -7.494   1.343
  274   2HE   MET  33          2HE       MET  33  -8.084  -7.566  -0.263
  275   3HE   MET  33          3HE       MET  33  -6.650  -8.526   0.101
  276    HA   PRO  34           HA       PRO  34  -8.613  -6.829   7.701
  277   1HB   PRO  34          2HB       PRO  34 -11.220  -6.260   7.522
  278   2HB   PRO  34          1HB       PRO  34 -10.007  -5.257   6.718
  279   1HG   PRO  34          2HG       PRO  34 -11.787  -7.365   5.566
  280   2HG   PRO  34          1HG       PRO  34 -11.331  -5.790   4.891
  281   1HD   PRO  34          2HD       PRO  34 -10.170  -8.194   4.188
  282   2HD   PRO  34          1HD       PRO  34  -9.399  -6.609   3.997
  283    H    GLU  35           H        GLU  35  -8.497  -8.470   9.148
  284    HA   GLU  35           HA       GLU  35 -10.153 -10.791   8.973
  285   1HB   GLU  35          2HB       GLU  35  -7.851  -9.959  10.495
  286   2HB   GLU  35          1HB       GLU  35  -9.047 -10.695  11.551
  287   1HG   GLU  35          2HG       GLU  35  -8.914 -12.738  10.520
  288   2HG   GLU  35          1HG       GLU  35  -8.315 -12.056   9.008
  289    H    ALA  36           H        ALA  36  -9.807  -9.092  12.014
  290    HA   ALA  36           HA       ALA  36 -12.401  -7.991  12.131
  291   1HB   ALA  36          1HB       ALA  36 -13.607  -9.829  12.524
  292   2HB   ALA  36          2HB       ALA  36 -12.831  -9.877  14.106
  293   3HB   ALA  36          3HB       ALA  36 -12.166 -10.817  12.769
  294    H    ALA  37           H        ALA  37 -10.064  -9.695  14.171
  295    HA   ALA  37           HA       ALA  37  -9.173  -7.355  15.498
  296   1HB   ALA  37          1HB       ALA  37 -10.023  -8.285  17.802
  297   2HB   ALA  37          2HB       ALA  37 -11.300  -8.987  16.809
  298   3HB   ALA  37          3HB       ALA  37 -11.052  -7.241  16.821
  299    H    VAL  38           H        VAL  38  -7.299  -8.489  14.643
  300    HA   VAL  38           HA       VAL  38  -6.239 -10.400  16.594
  301    HB   VAL  38           HB       VAL  38  -5.232 -11.706  14.649
  302   1HG1  VAL  38          1HG1      VAL  38  -7.863 -12.526  14.218
  303   2HG1  VAL  38          2HG1      VAL  38  -7.855 -11.840  15.842
  304   3HG1  VAL  38          3HG1      VAL  38  -6.740 -13.141  15.431
  305   1HG2  VAL  38          1HG2      VAL  38  -5.781 -11.273  12.521
  306   2HG2  VAL  38          2HG2      VAL  38  -6.328  -9.709  13.121
  307   3HG2  VAL  38          3HG2      VAL  38  -7.484 -11.025  12.912
  308    H    LYS  39           H        LYS  39  -5.819  -7.514  15.321
  309    HA   LYS  39           HA       LYS  39  -3.026  -7.445  15.850
  310   1HB   LYS  39          2HB       LYS  39  -2.468  -6.520  13.511
  311   2HB   LYS  39          1HB       LYS  39  -2.610  -8.262  13.700
  312   1HG   LYS  39          2HG       LYS  39  -5.130  -7.711  13.007
  313   2HG   LYS  39          1HG       LYS  39  -4.314  -6.367  12.207
  314   1HD   LYS  39          2HD       LYS  39  -3.356  -9.197  11.904
  315   2HD   LYS  39          1HD       LYS  39  -4.635  -8.540  10.881
  316   1HE   LYS  39          2HE       LYS  39  -3.215  -7.193   9.742
  317   2HE   LYS  39          1HE       LYS  39  -2.202  -6.888  11.153
  318   1HZ   LYS  39          1HZ       LYS  39  -1.972  -8.936   9.121
  319   2HZ   LYS  39          2HZ       LYS  39  -1.718  -9.479  10.702
  320   3HZ   LYS  39          3HZ       LYS  39  -0.776  -8.221  10.079
  321    H    SER  40           H        SER  40  -5.443  -5.703  13.894
  322    HA   SER  40           HA       SER  40  -5.930  -3.613  15.616
  323   1HB   SER  40          2HB       SER  40  -3.315  -3.396  14.433
  324   2HB   SER  40          1HB       SER  40  -4.327  -2.074  13.856
  325    HG   SER  40           HG       SER  40  -3.391  -2.617  16.409
  326    H    THR  41           H        THR  41  -7.298  -5.147  13.735
  327    HA   THR  41           HA       THR  41  -8.241  -3.057  11.888
  328    HB   THR  41           HB       THR  41  -6.942  -4.667  10.599
  329    HG1  THR  41           1HG      THR  41  -8.574  -4.027   9.369
  330   1HG2  THR  41          1HG2      THR  41  -8.792  -6.732  11.757
  331   2HG2  THR  41          2HG2      THR  41  -7.037  -6.649  11.915
  332   3HG2  THR  41          3HG2      THR  41  -7.765  -6.993  10.346
  333    H    ALA  42           H        ALA  42 -10.388  -4.007  10.845
  334    HA   ALA  42           HA       ALA  42 -12.092  -5.579  12.454
  335   1HB   ALA  42          1HB       ALA  42 -13.609  -3.400  12.859
  336   2HB   ALA  42          2HB       ALA  42 -12.007  -2.677  13.009
  337   3HB   ALA  42          3HB       ALA  42 -12.471  -4.020  14.055
  338    H    ASN  43           H        ASN  43 -11.914  -2.823  10.271
  339    HA   ASN  43           HA       ASN  43 -13.392  -4.225   8.249
  340   1HB   ASN  43          2HB       ASN  43 -14.814  -2.524   9.992
  341   2HB   ASN  43          1HB       ASN  43 -14.645  -1.642   8.478
  342   1HD2  ASN  43          1HD2      ASN  43 -16.307  -1.901   7.195
  343   2HD2  ASN  43          2HD2      ASN  43 -17.252  -3.337   7.019
  344    H    LYS  44           H        LYS  44 -10.743  -3.239   8.526
  345    HA   LYS  44           HA       LYS  44 -10.729  -1.345   6.283
  346   1HB   LYS  44          2HB       LYS  44  -8.710  -1.040   8.466
  347   2HB   LYS  44          1HB       LYS  44  -9.287   0.151   7.308
  348   1HG   LYS  44          2HG       LYS  44 -11.166   0.640   8.538
  349   2HG   LYS  44          1HG       LYS  44 -11.181  -0.932   9.345
  350   1HD   LYS  44          2HD       LYS  44  -9.574  -0.304  10.878
  351   2HD   LYS  44          1HD       LYS  44  -8.907   0.945   9.827
  352   1HE   LYS  44          2HE       LYS  44 -11.647   1.541  10.445
  353   2HE   LYS  44          1HE       LYS  44 -10.742   1.261  11.933
  354   1HZ   LYS  44          1HZ       LYS  44 -10.526   3.421  10.016
  355   2HZ   LYS  44          2HZ       LYS  44  -9.050   2.821  10.580
  356   3HZ   LYS  44          3HZ       LYS  44 -10.198   3.407  11.676
  357    H    TYR  45           H        TYR  45  -8.992  -1.481   4.896
  358    HA   TYR  45           HA       TYR  45  -7.553  -4.025   4.964
  359   1HB   TYR  45          2HB       TYR  45  -7.894  -1.925   2.813
  360   2HB   TYR  45          1HB       TYR  45  -6.883  -3.354   2.625
  361    HD1  TYR  45           1HD      TYR  45  -7.835  -5.474   2.125
  362    HD2  TYR  45           2HD      TYR  45 -10.357  -2.186   3.083
  363    HE1  TYR  45           1HE      TYR  45  -9.790  -6.763   1.375
  364    HE2  TYR  45           2HE      TYR  45 -12.319  -3.466   2.338
  365    HH   TYR  45           HH       TYR  45 -12.739  -5.415   0.717
  366    H    GLN  46           H        GLN  46  -5.270  -4.134   4.560
  367    HA   GLN  46           HA       GLN  46  -3.818  -1.865   5.715
  368   1HB   GLN  46          2HB       GLN  46  -3.600  -4.409   6.421
  369   2HB   GLN  46          1HB       GLN  46  -2.504  -4.469   5.047
  370   1HG   GLN  46          2HG       GLN  46  -1.384  -2.421   6.158
  371   2HG   GLN  46          1HG       GLN  46  -2.243  -2.949   7.604
  372   1HE2  GLN  46          1HE2      GLN  46   0.330  -2.929   7.911
  373   2HE2  GLN  46          2HE2      GLN  46   1.032  -4.505   7.813
  374    H    VAL  47           H        VAL  47  -3.283  -0.434   4.217
  375    HA   VAL  47           HA       VAL  47  -2.468  -1.349   1.565
  376    HB   VAL  47           HB       VAL  47  -3.177   1.425   2.523
  377   1HG1  VAL  47          1HG1      VAL  47  -2.133   2.104   0.676
  378   2HG1  VAL  47          2HG1      VAL  47  -3.455   1.352  -0.220
  379   3HG1  VAL  47          3HG1      VAL  47  -1.964   0.455   0.071
  380   1HG2  VAL  47          1HG2      VAL  47  -5.321   1.071   1.930
  381   2HG2  VAL  47          2HG2      VAL  47  -4.908  -0.620   2.206
  382   3HG2  VAL  47          3HG2      VAL  47  -4.885   0.037   0.570
  383    H    PHE  48           H        PHE  48  -0.577  -0.833   0.622
  384    HA   PHE  48           HA       PHE  48   1.546   0.205   2.380
  385   1HB   PHE  48          2HB       PHE  48   1.812  -2.104   1.430
  386   2HB   PHE  48          1HB       PHE  48   1.833  -1.391  -0.179
  387    HD1  PHE  48           1HD      PHE  48   3.500  -0.686   3.089
  388    HD2  PHE  48           2HD      PHE  48   3.920  -1.276  -1.105
  389    HE1  PHE  48           1HE      PHE  48   5.926  -0.322   3.285
  390    HE2  PHE  48           2HE      PHE  48   6.347  -0.914  -0.916
  391    HZ   PHE  48           HZ       PHE  48   7.353  -0.435   1.280
  392    H    PHE  49           H        PHE  49   2.223   2.209   1.976
  393    HA   PHE  49           HA       PHE  49   1.508   3.490  -0.551
  394   1HB   PHE  49          2HB       PHE  49   2.606   4.654   2.020
  395   2HB   PHE  49          1HB       PHE  49   2.158   5.590   0.595
  396    HD1  PHE  49           1HD      PHE  49  -0.247   5.479  -0.199
  397    HD2  PHE  49           2HD      PHE  49   1.006   4.057   3.607
  398    HE1  PHE  49           1HE      PHE  49  -2.572   5.566   0.593
  399    HE2  PHE  49           2HE      PHE  49  -1.315   4.141   4.405
  400    HZ   PHE  49           HZ       PHE  49  -3.111   4.893   2.898
  401    H    PHE  50           H        PHE  50   2.954   3.307  -2.146
  402    HA   PHE  50           HA       PHE  50   5.642   2.583  -1.822
  403   1HB   PHE  50          2HB       PHE  50   4.137   3.833  -4.118
  404   2HB   PHE  50          1HB       PHE  50   5.852   3.448  -4.230
  405    HD1  PHE  50           1HD      PHE  50   2.662   2.272  -4.917
  406    HD2  PHE  50           2HD      PHE  50   6.421   0.971  -3.402
  407    HE1  PHE  50           1HE      PHE  50   2.096  -0.048  -5.509
  408    HE2  PHE  50           2HE      PHE  50   5.863  -1.350  -3.999
  409    HZ   PHE  50           HZ       PHE  50   3.698  -1.860  -5.053
  410    H    GLY  51           H        GLY  51   7.409   4.061  -2.968
  411   1HA   GLY  51          2HA       GLY  51   8.695   5.970  -2.877
  412   2HA   GLY  51          1HA       GLY  51   7.230   6.870  -2.512
  413    H    THR  52           H        THR  52   6.366   6.278  -0.202
  414    HA   THR  52           HA       THR  52   8.557   6.850   1.636
  415    HB   THR  52           HB       THR  52   6.773   7.418   3.230
  416    HG1  THR  52           1HG      THR  52   4.975   6.809   1.127
  417   1HG2  THR  52          1HG2      THR  52   7.191   9.357   2.140
  418   2HG2  THR  52          2HG2      THR  52   5.518   9.115   1.639
  419   3HG2  THR  52          3HG2      THR  52   6.837   8.675   0.554
  420    H    HIS  53           H        HIS  53   6.406   4.305   0.746
  421    HA   HIS  53           HA       HIS  53   6.195   2.144   1.427
  422   1HB   HIS  53          2HB       HIS  53   8.738   2.735   2.961
  423   2HB   HIS  53          1HB       HIS  53   8.050   1.133   2.723
  424    HD1  HIS  53           1HD      HIS  53  10.894   2.211   1.690
  425    HD2  HIS  53           2HD      HIS  53   7.453   1.663  -0.574
  426    HE1  HIS  53           1HE      HIS  53  11.687   1.922  -0.678
  427    HE2  HIS  53           2HE      HIS  53   9.582   1.690  -2.043
  428    H    GLU  54           H        GLU  54   4.805   4.183   2.783
  429    HA   GLU  54           HA       GLU  54   4.882   3.478   5.612
  430   1HB   GLU  54          2HB       GLU  54   3.080   5.438   4.180
  431   2HB   GLU  54          1HB       GLU  54   3.290   5.288   5.920
  432   1HG   GLU  54          2HG       GLU  54   5.486   6.137   5.831
  433   2HG   GLU  54          1HG       GLU  54   5.562   5.967   4.077
  434    H    THR  55           H        THR  55   2.993   2.745   6.764
  435    HA   THR  55           HA       THR  55   1.079   1.327   5.035
  436    HB   THR  55           HB       THR  55   1.081  -0.130   7.361
  437    HG1  THR  55           1HG      THR  55   3.773   0.553   6.799
  438   1HG2  THR  55          1HG2      THR  55   2.451  -1.792   6.174
  439   2HG2  THR  55          2HG2      THR  55   2.773  -0.594   4.921
  440   3HG2  THR  55          3HG2      THR  55   1.126  -1.161   5.196
  441    H    ALA  56           H        ALA  56  -1.016   1.239   5.612
  442    HA   ALA  56           HA       ALA  56  -1.925   2.381   8.113
  443   1HB   ALA  56          1HB       ALA  56  -2.936   4.289   7.332
  444   2HB   ALA  56          2HB       ALA  56  -3.029   3.691   5.675
  445   3HB   ALA  56          3HB       ALA  56  -1.484   4.236   6.330
  446    H    PHE  57           H        PHE  57  -4.343   2.293   8.285
  447    HA   PHE  57           HA       PHE  57  -5.321  -0.036   6.795
  448   1HB   PHE  57          2HB       PHE  57  -5.916   0.992   9.555
  449   2HB   PHE  57          1HB       PHE  57  -6.998  -0.139   8.749
  450    HD1  PHE  57           1HD      PHE  57  -6.603  -2.419   8.880
  451    HD2  PHE  57           2HD      PHE  57  -3.452   0.303   9.762
  452    HE1  PHE  57           1HE      PHE  57  -5.200  -4.293   9.642
  453    HE2  PHE  57           2HE      PHE  57  -2.044  -1.564  10.521
  454    HZ   PHE  57           HZ       PHE  57  -2.917  -3.867  10.463
  455    H    LEU  58           H        LEU  58  -6.095   1.107   5.003
  456    HA   LEU  58           HA       LEU  58  -8.231   3.045   5.507
  457   1HB   LEU  58          2HB       LEU  58  -6.326   2.565   3.318
  458   2HB   LEU  58          1HB       LEU  58  -7.946   2.986   2.796
  459    HG   LEU  58           HG       LEU  58  -6.299   4.638   4.711
  460   1HD1  LEU  58          1HD1      LEU  58  -6.429   6.173   2.556
  461   2HD1  LEU  58          2HD1      LEU  58  -6.489   4.604   1.752
  462   3HD1  LEU  58          3HD1      LEU  58  -5.127   5.007   2.799
  463   1HD2  LEU  58          1HD2      LEU  58  -8.855   5.263   3.236
  464   2HD2  LEU  58          2HD2      LEU  58  -7.977   6.349   4.314
  465   3HD2  LEU  58          3HD2      LEU  58  -8.729   4.888   4.954
  466    H    GLY  59           H        GLY  59 -10.224   2.910   4.246
  467   1HA   GLY  59          2HA       GLY  59 -11.122   0.134   4.081
  468   2HA   GLY  59          1HA       GLY  59 -12.151   1.558   4.114
  469    HA   PRO  60           HA       PRO  60 -11.549  -0.148  -0.286
  470   1HB   PRO  60          2HB       PRO  60 -14.144  -0.880  -0.711
  471   2HB   PRO  60          1HB       PRO  60 -12.912  -1.982  -0.086
  472   1HG   PRO  60          2HG       PRO  60 -15.008  -0.445   1.396
  473   2HG   PRO  60          1HG       PRO  60 -14.477  -2.122   1.625
  474   1HD   PRO  60          2HD       PRO  60 -13.649  -0.115   3.231
  475   2HD   PRO  60          1HD       PRO  60 -12.609  -1.497   2.830
  476    H    LYS  61           H        LYS  61 -13.803   1.951   1.359
  477    HA   LYS  61           HA       LYS  61 -14.918   3.181  -0.940
  478   1HB   LYS  61          2HB       LYS  61 -15.503   5.027   0.687
  479   2HB   LYS  61          1HB       LYS  61 -16.105   3.428   1.101
  480   1HG   LYS  61          2HG       LYS  61 -13.575   3.682   2.315
  481   2HG   LYS  61          1HG       LYS  61 -14.452   5.181   2.627
  482   1HD   LYS  61          2HD       LYS  61 -15.524   2.409   3.146
  483   2HD   LYS  61          1HD       LYS  61 -14.821   3.467   4.371
  484   1HE   LYS  61          2HE       LYS  61 -16.563   5.152   3.836
  485   2HE   LYS  61          1HE       LYS  61 -17.298   3.990   2.732
  486   1HZ   LYS  61          1HZ       LYS  61 -18.129   4.204   5.177
  487   2HZ   LYS  61          2HZ       LYS  61 -16.816   3.192   5.515
  488   3HZ   LYS  61          3HZ       LYS  61 -18.022   2.682   4.444
  489    H    ASP  62           H        ASP  62 -11.957   3.586   0.812
  490    HA   ASP  62           HA       ASP  62 -11.339   6.053  -0.647
  491   1HB   ASP  62          2HB       ASP  62 -10.004   4.709   1.704
  492   2HB   ASP  62          1HB       ASP  62  -9.328   6.111   0.882
  493    H    LEU  63           H        LEU  63 -11.286   3.073  -1.552
  494    HA   LEU  63           HA       LEU  63  -8.528   3.062  -2.569
  495   1HB   LEU  63          2HB       LEU  63 -10.427   0.943  -1.758
  496   2HB   LEU  63          1HB       LEU  63  -9.457   0.598  -3.176
  497    HG   LEU  63           HG       LEU  63  -7.430   0.763  -1.944
  498   1HD1  LEU  63          1HD1      LEU  63  -9.095   2.260  -0.056
  499   2HD1  LEU  63          2HD1      LEU  63  -7.375   2.405  -0.421
  500   3HD1  LEU  63          3HD1      LEU  63  -7.938   1.159   0.692
  501   1HD2  LEU  63          1HD2      LEU  63  -9.576  -0.782  -0.524
  502   2HD2  LEU  63          2HD2      LEU  63  -7.880  -0.869  -0.046
  503   3HD2  LEU  63          3HD2      LEU  63  -8.366  -1.369  -1.666
  504    H    PHE  64           H        PHE  64  -8.151   3.079  -4.733
  505    HA   PHE  64           HA       PHE  64 -10.449   2.847  -6.548
  506   1HB   PHE  64          2HB       PHE  64  -8.355   5.023  -6.758
  507   2HB   PHE  64          1HB       PHE  64  -9.766   4.812  -7.789
  508    HD1  PHE  64           1HD      PHE  64  -8.960   5.206  -4.163
  509    HD2  PHE  64           2HD      PHE  64 -11.573   6.156  -7.385
  510    HE1  PHE  64           1HE      PHE  64 -10.265   6.663  -2.670
  511    HE2  PHE  64           2HE      PHE  64 -12.882   7.615  -5.897
  512    HZ   PHE  64           HZ       PHE  64 -12.229   7.870  -3.537
  513    HA   PRO  65           HA       PRO  65  -7.739   0.434  -9.058
  514   1HB   PRO  65          2HB       PRO  65  -8.855   1.569 -11.505
  515   2HB   PRO  65          1HB       PRO  65  -9.049  -0.054 -10.845
  516   1HG   PRO  65          2HG       PRO  65 -11.073   1.741 -10.924
  517   2HG   PRO  65          1HG       PRO  65 -10.929   0.514  -9.653
  518   1HD   PRO  65          2HD       PRO  65 -10.215   3.422  -9.572
  519   2HD   PRO  65          1HD       PRO  65 -11.011   2.421  -8.338
  520    H    TYR  66           H        TYR  66  -5.643   1.025  -9.089
  521    HA   TYR  66           HA       TYR  66  -4.568   3.500  -9.627
  522   1HB   TYR  66          2HB       TYR  66  -3.263   1.739  -8.589
  523   2HB   TYR  66          1HB       TYR  66  -3.316   0.781 -10.066
  524    HD1  TYR  66           1HD      TYR  66  -1.982   3.890  -8.571
  525    HD2  TYR  66           2HD      TYR  66  -1.759   1.147 -11.813
  526    HE1  TYR  66           1HE      TYR  66   0.082   4.982  -9.344
  527    HE2  TYR  66           2HE      TYR  66   0.305   2.229 -12.597
  528    HH   TYR  66           HH       TYR  66   1.430   4.412 -12.401
  529    H    GLU  67           H        GLU  67  -4.609   0.762 -11.920
  530    HA   GLU  67           HA       GLU  67  -3.552   2.045 -14.120
  531   1HB   GLU  67          2HB       GLU  67  -5.354  -0.272 -13.725
  532   2HB   GLU  67          1HB       GLU  67  -5.313   0.409 -15.345
  533   1HG   GLU  67          2HG       GLU  67  -3.352  -0.524 -15.777
  534   2HG   GLU  67          1HG       GLU  67  -2.650   0.097 -14.284
  535    H    GLU  68           H        GLU  68  -6.889   2.034 -13.017
  536    HA   GLU  68           HA       GLU  68  -7.934   3.446 -15.237
  537   1HB   GLU  68          2HB       GLU  68  -9.049   1.974 -13.289
  538   2HB   GLU  68          1HB       GLU  68  -9.371   3.584 -12.658
  539   1HG   GLU  68          2HG       GLU  68 -10.882   4.051 -14.255
  540   2HG   GLU  68          1HG       GLU  68  -9.990   3.178 -15.500
  541    H    SER  69           H        SER  69  -6.802   4.470 -12.041
  542    HA   SER  69           HA       SER  69  -7.390   7.248 -12.822
  543   1HB   SER  69          2HB       SER  69  -6.634   7.360 -10.176
  544   2HB   SER  69          1HB       SER  69  -8.294   7.287 -10.765
  545    HG   SER  69           HG       SER  69  -8.078   5.634  -9.326
  546    H    LYS  70           H        LYS  70  -4.905   5.311 -13.256
  547    HA   LYS  70           HA       LYS  70  -2.703   6.451 -11.993
  548   1HB   LYS  70          2HB       LYS  70  -1.351   5.442 -13.713
  549   2HB   LYS  70          1HB       LYS  70  -2.661   4.345 -13.300
  550   1HG   LYS  70          2HG       LYS  70  -3.890   5.119 -15.297
  551   2HG   LYS  70          1HG       LYS  70  -2.500   6.121 -15.725
  552   1HD   LYS  70          2HD       LYS  70  -1.872   3.304 -15.169
  553   2HD   LYS  70          1HD       LYS  70  -2.890   3.571 -16.587
  554   1HE   LYS  70          2HE       LYS  70  -0.394   5.173 -16.150
  555   2HE   LYS  70          1HE       LYS  70  -0.326   3.569 -16.879
  556   1HZ   LYS  70          1HZ       LYS  70  -2.036   4.436 -18.500
  557   2HZ   LYS  70          2HZ       LYS  70  -0.476   5.073 -18.653
  558   3HZ   LYS  70          3HZ       LYS  70  -1.692   5.983 -17.910
  559    H    GLU  71           H        GLU  71  -4.173   7.310 -15.108
  560    HA   GLU  71           HA       GLU  71  -2.329   9.398 -15.668
  561   1HB   GLU  71          2HB       GLU  71  -4.027  10.068 -17.393
  562   2HB   GLU  71          1HB       GLU  71  -3.473   8.402 -17.503
  563   1HG   GLU  71          2HG       GLU  71  -5.533   7.628 -17.283
  564   2HG   GLU  71          1HG       GLU  71  -5.796   8.577 -15.821
  565    H    LYS  72           H        LYS  72  -5.195   9.229 -13.736
  566    HA   LYS  72           HA       LYS  72  -5.666  12.081 -13.769
  567   1HB   LYS  72          2HB       LYS  72  -6.904   9.849 -12.158
  568   2HB   LYS  72          1HB       LYS  72  -7.411  11.530 -12.070
  569   1HG   LYS  72          2HG       LYS  72  -8.310  11.507 -14.201
  570   2HG   LYS  72          1HG       LYS  72  -7.360  10.104 -14.692
  571   1HD   LYS  72          2HD       LYS  72  -9.248   8.948 -14.320
  572   2HD   LYS  72          1HD       LYS  72  -8.817   9.095 -12.614
  573   1HE   LYS  72          2HE       LYS  72 -11.170   9.742 -13.156
  574   2HE   LYS  72          1HE       LYS  72 -10.231  10.993 -12.342
  575   1HZ   LYS  72          1HZ       LYS  72 -10.317  10.978 -15.274
  576   2HZ   LYS  72          2HZ       LYS  72 -10.157  12.282 -14.210
  577   3HZ   LYS  72          3HZ       LYS  72 -11.666  11.551 -14.429
  578    H    PHE  73           H        PHE  73  -4.544   9.695 -11.373
  579    HA   PHE  73           HA       PHE  73  -3.679  11.941  -9.667
  580   1HB   PHE  73          2HB       PHE  73  -3.838   9.100  -8.719
  581   2HB   PHE  73          1HB       PHE  73  -3.957  10.589  -7.791
  582    HD1  PHE  73           1HD      PHE  73  -5.800   8.103  -7.821
  583    HD2  PHE  73           2HD      PHE  73  -6.000  11.904  -9.726
  584    HE1  PHE  73           1HE      PHE  73  -8.252   7.937  -7.887
  585    HE2  PHE  73           2HE      PHE  73  -8.454  11.743  -9.794
  586    HZ   PHE  73           HZ       PHE  73  -9.582   9.759  -8.873
  587    H    GLY  74           H        GLY  74  -2.308  10.033 -11.937
  588   1HA   GLY  74          2HA       GLY  74   0.041   9.226 -10.460
  589   2HA   GLY  74          1HA       GLY  74  -0.227   9.029 -12.182
  590    H    LYS  75           H        LYS  75  -0.729  12.224 -10.971
  591    HA   LYS  75           HA       LYS  75   1.713  13.063 -12.323
  592   1HB   LYS  75          2HB       LYS  75  -0.623  14.676 -11.280
  593   2HB   LYS  75          1HB       LYS  75   0.750  15.338 -12.158
  594   1HG   LYS  75          2HG       LYS  75   0.116  13.785 -14.053
  595   2HG   LYS  75          1HG       LYS  75  -1.390  13.496 -13.178
  596   1HD   LYS  75          2HD       LYS  75  -1.984  15.815 -13.306
  597   2HD   LYS  75          1HD       LYS  75  -0.403  16.233 -13.967
  598   1HE   LYS  75          2HE       LYS  75  -1.387  14.280 -15.685
  599   2HE   LYS  75          1HE       LYS  75  -2.785  15.289 -15.316
  600   1HZ   LYS  75          1HZ       LYS  75  -1.981  16.941 -16.546
  601   2HZ   LYS  75          2HZ       LYS  75  -0.865  15.833 -17.167
  602   3HZ   LYS  75          3HZ       LYS  75  -0.434  16.829 -15.869
  603    HA   PRO  76           HA       PRO  76   4.116  14.002  -8.766
  604   1HB   PRO  76          2HB       PRO  76   4.328  16.812  -9.728
  605   2HB   PRO  76          1HB       PRO  76   5.607  15.666  -9.313
  606   1HG   PRO  76          2HG       PRO  76   5.069  16.237 -11.857
  607   2HG   PRO  76          1HG       PRO  76   5.490  14.587 -11.363
  608   1HD   PRO  76          2HD       PRO  76   2.821  15.738 -12.050
  609   2HD   PRO  76          1HD       PRO  76   3.474  14.122 -12.387
  610    H    ASN  77           H        ASN  77   4.117  15.146  -6.766
  611    HA   ASN  77           HA       ASN  77   1.747  16.840  -6.307
  612   1HB   ASN  77          2HB       ASN  77   2.509  14.306  -4.951
  613   2HB   ASN  77          1HB       ASN  77   1.835  15.588  -3.949
  614   1HD2  ASN  77          1HD2      ASN  77  -0.042  16.723  -5.438
  615   2HD2  ASN  77          2HD2      ASN  77  -1.266  15.589  -5.887
  616    H    LYS  78           H        LYS  78   1.843  17.928  -4.123
  617    HA   LYS  78           HA       LYS  78   4.445  19.192  -3.879
  618   1HB   LYS  78          2HB       LYS  78   1.674  19.841  -2.961
  619   2HB   LYS  78          1HB       LYS  78   3.043  20.602  -2.161
  620   1HG   LYS  78          2HG       LYS  78   2.532  20.706  -5.125
  621   2HG   LYS  78          1HG       LYS  78   2.065  21.963  -3.978
  622   1HD   LYS  78          2HD       LYS  78   4.645  21.733  -3.323
  623   2HD   LYS  78          1HD       LYS  78   4.742  21.226  -5.011
  624   1HE   LYS  78          2HE       LYS  78   4.071  23.278  -5.805
  625   2HE   LYS  78          1HE       LYS  78   3.210  23.689  -4.322
  626   1HZ   LYS  78          1HZ       LYS  78   6.154  23.652  -4.706
  627   2HZ   LYS  78          2HZ       LYS  78   5.387  23.922  -3.223
  628   3HZ   LYS  78          3HZ       LYS  78   5.179  25.019  -4.494
  629    H    ARG  79           H        ARG  79   2.652  16.756  -2.286
  630    HA   ARG  79           HA       ARG  79   3.575  17.128   0.356
  631   1HB   ARG  79          2HB       ARG  79   2.510  14.753  -1.150
  632   2HB   ARG  79          1HB       ARG  79   3.071  14.603   0.509
  633   1HG   ARG  79          2HG       ARG  79   0.873  16.426  -0.444
  634   2HG   ARG  79          1HG       ARG  79   0.656  14.888   0.394
  635   1HD   ARG  79          2HD       ARG  79   0.729  16.002   2.316
  636   2HD   ARG  79          1HD       ARG  79   2.422  16.363   1.984
  637    HE   ARG  79           HE       ARG  79   1.113  18.286   0.616
  638   1HH1  ARG  79          1HH1      ARG  79   0.922  17.175   3.917
  639   2HH1  ARG  79          2HH1      ARG  79   0.462  18.721   4.544
  640   1HH2  ARG  79          1HH2      ARG  79   0.509  20.323   1.437
  641   2HH2  ARG  79          2HH2      ARG  79   0.228  20.510   3.136
  642    H    LYS  80           H        LYS  80   5.146  16.170  -2.465
  643    HA   LYS  80           HA       LYS  80   7.232  15.440  -2.926
  644   1HB   LYS  80          2HB       LYS  80   7.681  16.134  -0.021
  645   2HB   LYS  80          1HB       LYS  80   8.964  15.660  -1.125
  646   1HG   LYS  80          2HG       LYS  80   7.329  18.161  -1.092
  647   2HG   LYS  80          1HG       LYS  80   9.082  17.970  -1.150
  648   1HD   LYS  80          2HD       LYS  80   8.869  17.080  -3.452
  649   2HD   LYS  80          1HD       LYS  80   7.130  17.382  -3.386
  650   1HE   LYS  80          2HE       LYS  80   7.417  19.699  -3.355
  651   2HE   LYS  80          1HE       LYS  80   9.104  19.578  -2.857
  652   1HZ   LYS  80          1HZ       LYS  80   8.129  19.857  -5.431
  653   2HZ   LYS  80          2HZ       LYS  80   8.723  18.276  -5.340
  654   3HZ   LYS  80          3HZ       LYS  80   9.732  19.581  -4.967
  655    H    GLY  81           H        GLY  81   8.296  13.515  -3.035
  656   1HA   GLY  81          2HA       GLY  81   8.868  11.326  -2.368
  657   2HA   GLY  81          1HA       GLY  81   7.753  11.475  -1.015
  658    H    PHE  82           H        PHE  82   5.782  12.611  -3.126
  659    HA   PHE  82           HA       PHE  82   4.219  10.332  -3.474
  660   1HB   PHE  82          2HB       PHE  82   3.411  12.676  -3.580
  661   2HB   PHE  82          1HB       PHE  82   4.225  12.868  -5.128
  662    HD1  PHE  82           1HD      PHE  82   3.421  11.650  -7.105
  663    HD2  PHE  82           2HD      PHE  82   1.339  11.547  -3.398
  664    HE1  PHE  82           1HE      PHE  82   1.419  10.814  -8.260
  665    HE2  PHE  82           2HE      PHE  82  -0.666  10.710  -4.540
  666    HZ   PHE  82           HZ       PHE  82  -0.632  10.337  -6.976
  667    H    SER  83           H        SER  83   6.170  12.083  -5.882
  668    HA   SER  83           HA       SER  83   5.769  10.401  -8.043
  669   1HB   SER  83          2HB       SER  83   8.345  11.214  -8.446
  670   2HB   SER  83          1HB       SER  83   6.920  12.184  -8.815
  671    HG   SER  83           HG       SER  83   8.813  12.523  -6.868
  672    H    GLU  84           H        GLU  84   8.297  10.197  -5.547
  673    HA   GLU  84           HA       GLU  84   9.805   8.119  -6.515
  674   1HB   GLU  84          2HB       GLU  84   9.641   9.484  -4.122
  675   2HB   GLU  84          1HB       GLU  84   9.249   7.835  -3.656
  676   1HG   GLU  84          2HG       GLU  84  11.629   8.335  -5.375
  677   2HG   GLU  84          1HG       GLU  84  11.718   8.676  -3.647
  678    H    GLY  85           H        GLY  85   6.609   8.017  -5.103
  679   1HA   GLY  85          2HA       GLY  85   6.543   5.174  -4.768
  680   2HA   GLY  85          1HA       GLY  85   5.164   6.264  -4.703
  681    H    LEU  86           H        LEU  86   5.736   7.401  -7.344
  682    HA   LEU  86           HA       LEU  86   4.154   5.696  -8.915
  683   1HB   LEU  86          2HB       LEU  86   5.953   8.004  -9.629
  684   2HB   LEU  86          1HB       LEU  86   4.995   7.156 -10.829
  685    HG   LEU  86           HG       LEU  86   3.831   8.538  -8.412
  686   1HD1  LEU  86          1HD1      LEU  86   4.549  10.356  -9.590
  687   2HD1  LEU  86          2HD1      LEU  86   3.000  10.074 -10.382
  688   3HD1  LEU  86          3HD1      LEU  86   4.492   9.516 -11.140
  689   1HD2  LEU  86          1HD2      LEU  86   2.364   6.832  -9.167
  690   2HD2  LEU  86          2HD2      LEU  86   2.627   7.261 -10.857
  691   3HD2  LEU  86          3HD2      LEU  86   1.739   8.356  -9.799
  692    H    TRP  87           H        TRP  87   7.651   6.213  -8.823
  693    HA   TRP  87           HA       TRP  87   8.318   4.527 -10.983
  694   1HB   TRP  87          2HB       TRP  87   9.913   6.137 -10.137
  695   2HB   TRP  87          1HB       TRP  87   9.915   5.374  -8.550
  696    HD1  TRP  87           HD       TRP  87  11.495   5.146 -11.969
  697    HE1  TRP  87           1HE      TRP  87  13.278   3.293 -11.968
  698    HE3  TRP  87           3HE      TRP  87  10.460   3.028  -7.432
  699    HZ2  TRP  87           2HZ      TRP  87  14.130   1.202 -10.269
  700    HZ3  TRP  87           3HZ      TRP  87  11.806   1.108  -6.693
  701    HH2  TRP  87           HH       TRP  87  13.602   0.214  -8.084
  702    H    GLU  88           H        GLU  88   8.101   3.896  -7.481
  703    HA   GLU  88           HA       GLU  88   9.034   1.248  -7.572
  704   1HB   GLU  88          2HB       GLU  88   7.824   3.020  -5.618
  705   2HB   GLU  88          1HB       GLU  88   7.257   1.368  -5.427
  706   1HG   GLU  88          2HG       GLU  88   9.088   1.194  -4.140
  707   2HG   GLU  88          1HG       GLU  88   9.877   0.900  -5.691
  708    H    ILE  89           H        ILE  89   5.669   2.471  -7.518
  709    HA   ILE  89           HA       ILE  89   4.346   0.059  -7.508
  710    HB   ILE  89           HB       ILE  89   3.285   2.294  -7.323
  711   1HG1  ILE  89          2HG1      ILE  89   1.564   1.285  -9.384
  712   2HG1  ILE  89          1HG1      ILE  89   2.266  -0.068  -8.499
  713   1HG2  ILE  89          1HG2      ILE  89   3.689   3.788  -8.906
  714   2HG2  ILE  89          2HG2      ILE  89   2.570   2.894  -9.933
  715   3HG2  ILE  89          3HG2      ILE  89   4.297   2.560 -10.013
  716   1HD1  ILE  89          1HD1      ILE  89   0.225   1.810  -7.698
  717   2HD1  ILE  89          2HD1      ILE  89   1.540   1.714  -6.525
  718   3HD1  ILE  89          3HD1      ILE  89   0.671   0.253  -6.999
  719    H    GLU  90           H        GLU  90   6.078   1.549 -10.124
  720    HA   GLU  90           HA       GLU  90   5.015  -0.401 -12.033
  721   1HB   GLU  90          2HB       GLU  90   6.630   2.117 -12.390
  722   2HB   GLU  90          1HB       GLU  90   6.309   0.996 -13.706
  723   1HG   GLU  90          2HG       GLU  90   3.884   1.317 -13.322
  724   2HG   GLU  90          1HG       GLU  90   4.276   2.536 -12.111
  725    H    ASN  91           H        ASN  91   8.131   0.740 -10.756
  726    HA   ASN  91           HA       ASN  91   9.616  -1.226 -12.229
  727   1HB   ASN  91          2HB       ASN  91  10.310   0.866 -10.201
  728   2HB   ASN  91          1HB       ASN  91  11.482  -0.386 -10.599
  729   1HD2  ASN  91          1HD2      ASN  91   9.316   1.939 -12.168
  730   2HD2  ASN  91          2HD2      ASN  91  10.406   2.355 -13.443
  731    H    ASN  92           H        ASN  92   8.363  -0.954  -8.954
  732    HA   ASN  92           HA       ASN  92   8.817  -3.774  -8.556
  733   1HB   ASN  92          2HB       ASN  92  10.957  -2.562  -7.865
  734   2HB   ASN  92          1HB       ASN  92  10.019  -1.885  -6.539
  735   1HD2  ASN  92          1HD2      ASN  92  12.213  -3.388  -6.013
  736   2HD2  ASN  92          2HD2      ASN  92  11.748  -4.904  -5.328
  737    HA   PRO  93           HA       PRO  93   5.000  -2.309  -6.502
  738   1HB   PRO  93          2HB       PRO  93   3.443  -4.373  -7.231
  739   2HB   PRO  93          1HB       PRO  93   3.808  -3.044  -8.338
  740   1HG   PRO  93          2HG       PRO  93   5.030  -5.772  -8.185
  741   2HG   PRO  93          1HG       PRO  93   4.539  -4.843  -9.614
  742   1HD   PRO  93          2HD       PRO  93   7.122  -5.010  -8.722
  743   2HD   PRO  93          1HD       PRO  93   6.485  -3.634  -9.646
  744    H    THR  94           H        THR  94   7.006  -5.057  -6.130
  745    HA   THR  94           HA       THR  94   5.527  -5.946  -3.759
  746    HB   THR  94           HB       THR  94   6.813  -7.986  -3.876
  747    HG1  THR  94           1HG      THR  94   8.223  -6.733  -5.993
  748   1HG2  THR  94          1HG2      THR  94   5.900  -7.200  -6.631
  749   2HG2  THR  94          2HG2      THR  94   4.921  -7.956  -5.375
  750   3HG2  THR  94          3HG2      THR  94   6.263  -8.841  -6.100
  751    H    VAL  95           H        VAL  95   7.592  -3.610  -4.213
  752    HA   VAL  95           HA       VAL  95   9.844  -4.178  -2.635
  753    HB   VAL  95           HB       VAL  95   9.715  -2.228  -4.121
  754   1HG1  VAL  95          1HG1      VAL  95   8.476  -0.248  -2.657
  755   2HG1  VAL  95          2HG1      VAL  95   7.389  -1.625  -2.483
  756   3HG1  VAL  95          3HG1      VAL  95   7.825  -1.043  -4.089
  757   1HG2  VAL  95          1HG2      VAL  95  10.271  -1.679  -1.213
  758   2HG2  VAL  95          2HG2      VAL  95  10.672  -0.548  -2.505
  759   3HG2  VAL  95          3HG2      VAL  95  11.418  -2.146  -2.470
  760    H    LYS  96           H        LYS  96  10.316  -3.821  -0.488
  761    HA   LYS  96           HA       LYS  96   8.038  -3.220   1.276
  762   1HB   LYS  96          2HB       LYS  96   9.954  -5.504   1.345
  763   2HB   LYS  96          1HB       LYS  96   9.389  -4.847   2.876
  764   1HG   LYS  96          2HG       LYS  96   7.579  -5.802   0.670
  765   2HG   LYS  96          1HG       LYS  96   8.072  -6.778   2.056
  766   1HD   LYS  96          2HD       LYS  96   7.138  -4.901   3.503
  767   2HD   LYS  96          1HD       LYS  96   6.389  -4.287   2.029
  768   1HE   LYS  96          2HE       LYS  96   4.709  -5.712   2.293
  769   2HE   LYS  96          1HE       LYS  96   5.836  -7.062   2.181
  770   1HZ   LYS  96          1HZ       LYS  96   4.340  -6.479   4.342
  771   2HZ   LYS  96          2HZ       LYS  96   5.812  -5.754   4.751
  772   3HZ   LYS  96          3HZ       LYS  96   5.758  -7.402   4.375
  773    H    ALA  97           H        ALA  97   8.851  -2.740   3.580
  774    HA   ALA  97           HA       ALA  97  11.117  -0.879   3.342
  775   1HB   ALA  97          1HB       ALA  97   9.249  -0.728   5.644
  776   2HB   ALA  97          2HB       ALA  97   8.651  -0.228   4.062
  777   3HB   ALA  97          3HB       ALA  97  10.065   0.561   4.760
  778    H    SER  98           H        SER  98   9.639  -3.231   5.558
  779    HA   SER  98           HA       SER  98  12.044  -3.275   7.192
  780   1HB   SER  98          2HB       SER  98   9.973  -3.332   8.411
  781   2HB   SER  98          1HB       SER  98   9.380  -4.683   7.446
  782    HG   SER  98           HG       SER  98  11.712  -4.847   9.041
  783    H    GLY  99           H        GLY  99  13.345  -5.095   7.509
  784   1HA   GLY  99          2HA       GLY  99  13.026  -7.211   5.469
  785   2HA   GLY  99          1HA       GLY  99  14.591  -6.526   5.885
  786    H    TYR 100           H        TYR 100  15.615  -7.151   7.778
  787    HA   TYR 100           HA       TYR 100  14.917  -9.750   8.740
  788   1HB   TYR 100          2HB       TYR 100  17.131  -7.813   9.218
  789   2HB   TYR 100          1HB       TYR 100  16.863  -9.067  10.424
  790    HD1  TYR 100           1HD      TYR 100  17.745  -8.426   6.906
  791    HD2  TYR 100           2HD      TYR 100  17.426 -11.344   9.984
  792    HE1  TYR 100           1HE      TYR 100  19.013 -10.013   5.525
  793    HE2  TYR 100           2HE      TYR 100  18.694 -12.938   8.613
  794    HH   TYR 100           HH       TYR 100  20.263 -12.943   6.766
  795    H    GLN 101           H        GLN 101  13.301 -10.055  10.119
  796    HA   GLN 101           HA       GLN 101  12.163  -8.086  11.757
  797   1HB   GLN 101          2HB       GLN 101  11.105 -10.257  10.989
  798   2HB   GLN 101          1HB       GLN 101  12.024 -11.059  12.254
  799   1HG   GLN 101          2HG       GLN 101  10.896  -9.241  13.776
  800   2HG   GLN 101          1HG       GLN 101   9.711  -9.207  12.470
  801   1HE2  GLN 101          1HE2      GLN 101   8.196  -9.995  14.029
  802   2HE2  GLN 101          2HE2      GLN 101   8.143 -11.678  14.417
  803    H    SER 102           H        SER 102  13.427  -7.047  13.196
  804    HA   SER 102           HA       SER 102  14.693  -6.650  15.042
  805   1HB   SER 102          2HB       SER 102  12.784  -8.310  15.876
  806   2HB   SER 102          1HB       SER 102  14.167  -9.371  16.143
  807    HG   SER 102           HG       SER 102  13.836  -8.171  17.994
  808    H    SER 103           H        SER 103  16.431  -7.874  16.560
  809    HA   SER 103           HA       SER 103  18.010  -9.885  15.352
  810   1HB   SER 103          2HB       SER 103  18.411  -7.840  13.844
  811   2HB   SER 103          1HB       SER 103  19.301  -7.165  15.208
  812    HG   SER 103           HG       SER 103  19.851  -9.721  14.121
  813    H    GLN 104           H        GLN 104  20.272  -9.933  16.424
  814    HA   GLN 104           HA       GLN 104  20.085  -8.908  19.177
  815   1HB   GLN 104          2HB       GLN 104  20.411 -11.698  18.228
  816   2HB   GLN 104          1HB       GLN 104  21.418 -11.214  19.586
  817   1HG   GLN 104          2HG       GLN 104  18.439 -10.833  19.540
  818   2HG   GLN 104          1HG       GLN 104  19.220 -12.288  20.160
  819   1HE2  GLN 104          1HE2      GLN 104  18.248 -11.801  22.190
  820   2HE2  GLN 104          2HE2      GLN 104  18.949 -10.618  23.236
  821    H    LYS 105           H        LYS 105  22.264  -9.137  20.324
  822    HA   LYS 105           HA       LYS 105  24.283  -7.989  18.572
  823   1HB   LYS 105          2HB       LYS 105  23.933  -8.155  21.550
  824   2HB   LYS 105          1HB       LYS 105  25.489  -7.721  20.856
  825   1HG   LYS 105          2HG       LYS 105  24.130  -5.948  19.544
  826   2HG   LYS 105          1HG       LYS 105  22.906  -6.226  20.784
  827   1HD   LYS 105          2HD       LYS 105  24.113  -4.489  21.706
  828   2HD   LYS 105          1HD       LYS 105  24.902  -5.892  22.431
  829   1HE   LYS 105          2HE       LYS 105  26.723  -4.685  21.722
  830   2HE   LYS 105          1HE       LYS 105  26.450  -5.731  20.329
  831   1HZ   LYS 105          1HZ       LYS 105  26.372  -2.903  20.477
  832   2HZ   LYS 105          2HZ       LYS 105  24.889  -3.492  19.915
  833   3HZ   LYS 105          3HZ       LYS 105  26.320  -3.900  19.112
  834    H    LYS 106           H        LYS 106  23.694 -10.873  20.446
  835    HA   LYS 106           HA       LYS 106  26.332 -11.881  20.471
  836   1HB   LYS 106          2HB       LYS 106  23.665 -12.838  21.152
  837   2HB   LYS 106          1HB       LYS 106  24.670 -14.106  20.464
  838   1HG   LYS 106          2HG       LYS 106  25.779 -14.333  22.364
  839   2HG   LYS 106          1HG       LYS 106  26.181 -12.616  22.387
  840   1HD   LYS 106          2HD       LYS 106  23.404 -13.142  23.100
  841   2HD   LYS 106          1HD       LYS 106  24.552 -13.928  24.185
  842   1HE   LYS 106          2HE       LYS 106  23.945 -11.688  24.972
  843   2HE   LYS 106          1HE       LYS 106  25.661 -11.805  24.587
  844   1HZ   LYS 106          1HZ       LYS 106  25.000 -10.860  22.337
  845   2HZ   LYS 106          2HZ       LYS 106  24.972  -9.799  23.654
  846   3HZ   LYS 106          3HZ       LYS 106  23.527 -10.447  23.059
  847    H    SER 107           H        SER 107  27.321 -11.793  18.493
  848    HA   SER 107           HA       SER 107  26.744 -13.908  16.664
  849   1HB   SER 107          2HB       SER 107  26.126 -11.067  15.854
  850   2HB   SER 107          1HB       SER 107  26.471 -12.331  14.674
  851    HG   SER 107           HG       SER 107  24.446 -12.823  14.869
  852    H    CYS 108           H        CYS 108  28.340 -14.060  14.941
  853    HA   CYS 108           HA       CYS 108  30.738 -12.424  15.399
  854   1HB   CYS 108          2HB       CYS 108  32.116 -14.492  15.082
  855   2HB   CYS 108          1HB       CYS 108  31.168 -14.480  16.564
  856    HG   CYS 108           HG       CYS 108  29.526 -16.180  15.426
  857    H    ALA 109           H        ALA 109  29.073 -14.685  13.231
  858    HA   ALA 109           HA       ALA 109  30.606 -13.625  10.969
  859   1HB   ALA 109          1HB       ALA 109  30.231 -15.581   9.869
  860   2HB   ALA 109          2HB       ALA 109  28.643 -15.817  10.598
  861   3HB   ALA 109          3HB       ALA 109  30.101 -16.171  11.526
  862    H    GLU 110           H        GLU 110  27.233 -14.299  11.893
  863    HA   GLU 110           HA       GLU 110  26.263 -11.861  10.848
  864   1HB   GLU 110          2HB       GLU 110  26.799 -13.366   8.770
  865   2HB   GLU 110          1HB       GLU 110  25.300 -14.174   9.206
  866   1HG   GLU 110          2HG       GLU 110  24.118 -12.030   9.047
  867   2HG   GLU 110          1HG       GLU 110  25.623 -11.251   8.563
  Start of MODEL    7
    1   1H    MET   1          1HT       MET   1 -27.523  -6.020 -14.138
    2   2H    MET   1          2HT       MET   1 -25.867  -5.850 -14.555
    3   3H    MET   1          3HT       MET   1 -26.523  -7.407 -14.253
    4    HA   MET   1           HA       MET   1 -27.881  -7.278 -16.155
    5   1HB   MET   1          2HB       MET   1 -28.262  -4.822 -15.938
    6   2HB   MET   1          1HB       MET   1 -26.642  -4.549 -16.564
    7   1HG   MET   1          2HG       MET   1 -27.592  -6.085 -18.525
    8   2HG   MET   1          1HG       MET   1 -29.107  -5.382 -17.961
    9   1HE   MET   1          1HE       MET   1 -29.479  -2.782 -20.143
   10   2HE   MET   1          2HE       MET   1 -29.727  -4.504 -19.856
   11   3HE   MET   1          3HE       MET   1 -28.600  -3.971 -21.103
   12    H    SER   2           H        SER   2 -24.808  -5.479 -16.411
   13    HA   SER   2           HA       SER   2 -23.674  -7.762 -17.868
   14   1HB   SER   2          2HB       SER   2 -24.281  -6.215 -19.600
   15   2HB   SER   2          1HB       SER   2 -23.584  -4.861 -18.712
   16    HG   SER   2           HG       SER   2 -22.167  -7.066 -19.805
   17    H    ARG   3           H        ARG   3 -22.904  -4.609 -16.401
   18    HA   ARG   3           HA       ARG   3 -20.490  -5.847 -15.252
   19   1HB   ARG   3          2HB       ARG   3 -20.767  -3.434 -16.882
   20   2HB   ARG   3          1HB       ARG   3 -19.908  -3.149 -15.375
   21   1HG   ARG   3          2HG       ARG   3 -19.132  -5.479 -17.057
   22   2HG   ARG   3          1HG       ARG   3 -18.629  -3.858 -17.542
   23   1HD   ARG   3          2HD       ARG   3 -17.213  -3.623 -15.780
   24   2HD   ARG   3          1HD       ARG   3 -18.214  -4.600 -14.707
   25    HE   ARG   3           HE       ARG   3 -17.045  -6.464 -15.354
   26   1HH1  ARG   3          1HH1      ARG   3 -16.309  -3.840 -17.534
   27   2HH1  ARG   3          2HH1      ARG   3 -15.014  -4.685 -18.312
   28   1HH2  ARG   3          1HH2      ARG   3 -15.341  -7.576 -16.375
   29   2HH2  ARG   3          2HH2      ARG   3 -14.464  -6.805 -17.655
   30    H    SER   4           H        SER   4 -19.651  -3.944 -13.555
   31    HA   SER   4           HA       SER   4 -21.861  -3.796 -11.635
   32   1HB   SER   4          2HB       SER   4 -19.238  -4.676 -11.359
   33   2HB   SER   4          1HB       SER   4 -19.233  -3.088 -10.593
   34    HG   SER   4           HG       SER   4 -21.014  -3.791  -9.329
   35    H    ASN   5           H        ASN   5 -21.265  -1.874  -9.957
   36    HA   ASN   5           HA       ASN   5 -20.655   0.569 -11.439
   37   1HB   ASN   5          2HB       ASN   5 -23.262  -0.151 -11.144
   38   2HB   ASN   5          1HB       ASN   5 -23.016   0.796  -9.680
   39   1HD2  ASN   5          1HD2      ASN   5 -22.620   2.982  -9.833
   40   2HD2  ASN   5          2HD2      ASN   5 -22.849   3.871 -11.296
   41    H    ARG   6           H        ARG   6 -21.986  -0.358  -8.260
   42    HA   ARG   6           HA       ARG   6 -19.744   1.092  -7.011
   43   1HB   ARG   6          2HB       ARG   6 -22.568   0.868  -5.953
   44   2HB   ARG   6          1HB       ARG   6 -21.240   1.733  -5.192
   45   1HG   ARG   6          2HG       ARG   6 -22.133   2.446  -7.955
   46   2HG   ARG   6          1HG       ARG   6 -22.991   3.056  -6.539
   47   1HD   ARG   6          2HD       ARG   6 -20.033   3.380  -7.030
   48   2HD   ARG   6          1HD       ARG   6 -21.248   4.605  -7.392
   49    HE   ARG   6           HE       ARG   6 -20.122   4.023  -4.848
   50   1HH1  ARG   6          1HH1      ARG   6 -23.072   5.047  -6.407
   51   2HH1  ARG   6          2HH1      ARG   6 -23.656   5.902  -5.019
   52   1HH2  ARG   6          1HH2      ARG   6 -20.889   5.146  -3.021
   53   2HH2  ARG   6          2HH2      ARG   6 -22.417   5.959  -3.097
   54    H    GLN   7           H        GLN   7 -20.189  -1.804  -7.707
   55    HA   GLN   7           HA       GLN   7 -19.746  -2.884  -5.003
   56   1HB   GLN   7          2HB       GLN   7 -21.924  -3.515  -6.443
   57   2HB   GLN   7          1HB       GLN   7 -20.804  -4.699  -7.102
   58   1HG   GLN   7          2HG       GLN   7 -21.587  -5.938  -5.397
   59   2HG   GLN   7          1HG       GLN   7 -20.334  -5.078  -4.502
   60   1HE2  GLN   7          1HE2      GLN   7 -23.026  -6.243  -3.788
   61   2HE2  GLN   7          2HE2      GLN   7 -23.832  -4.966  -2.948
   62    H    LYS   8           H        LYS   8 -17.600  -3.171  -4.923
   63    HA   LYS   8           HA       LYS   8 -16.383  -4.885  -6.961
   64   1HB   LYS   8          2HB       LYS   8 -14.325  -3.399  -6.860
   65   2HB   LYS   8          1HB       LYS   8 -15.707  -2.757  -7.739
   66   1HG   LYS   8          2HG       LYS   8 -16.200  -1.206  -6.083
   67   2HG   LYS   8          1HG       LYS   8 -15.278  -2.077  -4.858
   68   1HD   LYS   8          2HD       LYS   8 -13.405  -0.979  -5.366
   69   2HD   LYS   8          1HD       LYS   8 -13.609  -1.290  -7.092
   70   1HE   LYS   8          2HE       LYS   8 -13.630   1.063  -6.827
   71   2HE   LYS   8          1HE       LYS   8 -15.300   0.577  -7.111
   72   1HZ   LYS   8          1HZ       LYS   8 -14.204   1.947  -4.895
   73   2HZ   LYS   8          2HZ       LYS   8 -14.915   0.505  -4.368
   74   3HZ   LYS   8          3HZ       LYS   8 -15.828   1.624  -5.248
   75    H    GLU   9           H        GLU   9 -14.011  -5.378  -6.208
   76    HA   GLU   9           HA       GLU   9 -13.685  -5.516  -3.340
   77   1HB   GLU   9          2HB       GLU   9 -14.517  -7.844  -4.975
   78   2HB   GLU   9          1HB       GLU   9 -13.230  -8.131  -3.812
   79   1HG   GLU   9          2HG       GLU   9 -14.659  -7.290  -2.020
   80   2HG   GLU   9          1HG       GLU   9 -15.949  -7.001  -3.187
   81    H    TYR  10           H        TYR  10 -11.558  -5.800  -2.733
   82    HA   TYR  10           HA       TYR  10  -9.609  -6.033  -4.941
   83   1HB   TYR  10          2HB       TYR  10  -9.316  -4.496  -2.347
   84   2HB   TYR  10          1HB       TYR  10  -8.107  -4.606  -3.623
   85    HD1  TYR  10           1HD      TYR  10 -11.161  -2.993  -2.517
   86    HD2  TYR  10           2HD      TYR  10  -8.520  -3.515  -5.812
   87    HE1  TYR  10           1HE      TYR  10 -12.159  -1.034  -3.620
   88    HE2  TYR  10           2HE      TYR  10  -9.510  -1.557  -6.922
   89    HH   TYR  10           HH       TYR  10 -11.473   0.656  -5.343
   90    H    LYS  11           H        LYS  11  -7.517  -6.990  -4.347
   91    HA   LYS  11           HA       LYS  11  -7.629  -8.742  -2.002
   92   1HB   LYS  11          2HB       LYS  11  -6.982  -9.644  -4.812
   93   2HB   LYS  11          1HB       LYS  11  -6.775 -10.628  -3.371
   94   1HG   LYS  11          2HG       LYS  11  -9.458  -9.494  -3.704
   95   2HG   LYS  11          1HG       LYS  11  -8.973 -10.642  -4.953
   96   1HD   LYS  11          2HD       LYS  11  -8.163 -11.784  -2.528
   97   2HD   LYS  11          1HD       LYS  11  -9.773 -11.126  -2.225
   98   1HE   LYS  11          2HE       LYS  11  -9.070 -12.917  -4.547
   99   2HE   LYS  11          1HE       LYS  11  -9.770 -13.483  -3.032
  100   1HZ   LYS  11          1HZ       LYS  11 -11.017 -12.066  -5.233
  101   2HZ   LYS  11          2HZ       LYS  11 -11.482 -11.551  -3.690
  102   3HZ   LYS  11          3HZ       LYS  11 -11.683 -13.169  -4.138
  103    H    CYS  12           H        CYS  12  -5.515  -9.686  -1.450
  104    HA   CYS  12           HA       CYS  12  -3.517  -7.797  -1.203
  105   1HB   CYS  12          2HB       CYS  12  -3.892 -10.213  -0.134
  106   2HB   CYS  12          1HB       CYS  12  -2.688 -10.655  -1.340
  107    HG   CYS  12           HG       CYS  12  -0.929  -9.425  -0.081
  108    H    GLY  13           H        GLY  13  -2.059  -6.954  -2.592
  109   1HA   GLY  13          2HA       GLY  13  -0.284  -7.270  -4.186
  110   2HA   GLY  13          1HA       GLY  13  -1.209  -8.587  -4.885
  111    H    ASP  14           H        ASP  14  -3.627  -6.636  -4.537
  112    HA   ASP  14           HA       ASP  14  -3.587  -5.719  -7.233
  113   1HB   ASP  14          2HB       ASP  14  -5.536  -6.089  -5.209
  114   2HB   ASP  14          1HB       ASP  14  -5.630  -4.403  -5.704
  115    H    LEU  15           H        LEU  15  -3.296  -3.695  -8.063
  116    HA   LEU  15           HA       LEU  15  -2.010  -1.763  -6.294
  117   1HB   LEU  15          2HB       LEU  15  -2.317  -1.650  -9.294
  118   2HB   LEU  15          1HB       LEU  15  -1.264  -0.654  -8.307
  119    HG   LEU  15           HG       LEU  15  -0.979  -3.627  -8.749
  120   1HD1  LEU  15          1HD1      LEU  15   0.167  -3.092 -10.565
  121   2HD1  LEU  15          2HD1      LEU  15   1.295  -2.173  -9.569
  122   3HD1  LEU  15          3HD1      LEU  15  -0.112  -1.377 -10.272
  123   1HD2  LEU  15          1HD2      LEU  15   1.251  -2.155  -7.568
  124   2HD2  LEU  15          2HD2      LEU  15   0.559  -3.716  -7.127
  125   3HD2  LEU  15          3HD2      LEU  15  -0.178  -2.228  -6.537
  126    H    VAL  16           H        VAL  16  -3.137  -0.185  -5.420
  127    HA   VAL  16           HA       VAL  16  -5.323   1.030  -6.946
  128    HB   VAL  16           HB       VAL  16  -6.743   1.112  -4.921
  129   1HG1  VAL  16          1HG1      VAL  16  -6.279  -1.061  -6.650
  130   2HG1  VAL  16          2HG1      VAL  16  -7.752  -0.673  -5.766
  131   3HG1  VAL  16          3HG1      VAL  16  -6.548  -1.741  -5.045
  132   1HG2  VAL  16          1HG2      VAL  16  -5.854  -0.957  -3.343
  133   2HG2  VAL  16          2HG2      VAL  16  -5.708   0.760  -2.971
  134   3HG2  VAL  16          3HG2      VAL  16  -4.368  -0.093  -3.737
  135    H    PHE  17           H        PHE  17  -6.168   3.008  -5.749
  136    HA   PHE  17           HA       PHE  17  -3.872   4.528  -4.688
  137   1HB   PHE  17          2HB       PHE  17  -6.162   5.278  -6.466
  138   2HB   PHE  17          1HB       PHE  17  -5.474   6.507  -5.409
  139    HD1  PHE  17           1HD      PHE  17  -5.405   5.431  -8.616
  140    HD2  PHE  17           2HD      PHE  17  -2.724   6.238  -5.421
  141    HE1  PHE  17           1HE      PHE  17  -3.598   5.809 -10.236
  142    HE2  PHE  17           2HE      PHE  17  -0.908   6.614  -7.028
  143    HZ   PHE  17           HZ       PHE  17  -1.341   6.403  -9.446
  144    H    ALA  18           H        ALA  18  -4.074   5.530  -2.716
  145    HA   ALA  18           HA       ALA  18  -6.629   5.134  -1.319
  146   1HB   ALA  18          1HB       ALA  18  -5.534   4.358   0.468
  147   2HB   ALA  18          2HB       ALA  18  -4.306   5.619   0.374
  148   3HB   ALA  18          3HB       ALA  18  -4.158   4.172  -0.621
  149    H    LYS  19           H        LYS  19  -7.714   6.856  -0.669
  150    HA   LYS  19           HA       LYS  19  -6.465   9.478  -0.900
  151   1HB   LYS  19          2HB       LYS  19  -8.727   8.940  -1.919
  152   2HB   LYS  19          1HB       LYS  19  -9.356   8.883  -0.278
  153   1HG   LYS  19          2HG       LYS  19  -9.854  11.031  -1.071
  154   2HG   LYS  19          1HG       LYS  19  -8.465  11.236  -0.001
  155   1HD   LYS  19          2HD       LYS  19  -7.083  10.956  -2.190
  156   2HD   LYS  19          1HD       LYS  19  -8.600  11.382  -2.984
  157   1HE   LYS  19          2HE       LYS  19  -7.321  13.034  -0.816
  158   2HE   LYS  19          1HE       LYS  19  -7.061  13.308  -2.538
  159   1HZ   LYS  19          1HZ       LYS  19  -9.809  13.195  -1.508
  160   2HZ   LYS  19          2HZ       LYS  19  -9.195  14.041  -2.838
  161   3HZ   LYS  19          3HZ       LYS  19  -8.902  14.604  -1.269
  162    H    MET  20           H        MET  20  -5.914  10.707   0.774
  163    HA   MET  20           HA       MET  20  -6.883   9.955   3.452
  164   1HB   MET  20          2HB       MET  20  -4.061  10.649   2.631
  165   2HB   MET  20          1HB       MET  20  -4.600  10.620   4.305
  166   1HG   MET  20          2HG       MET  20  -5.332   8.175   3.004
  167   2HG   MET  20          1HG       MET  20  -3.615   8.494   2.768
  168   1HE   MET  20          1HE       MET  20  -2.054   7.915   3.935
  169   2HE   MET  20          2HE       MET  20  -2.311   6.609   5.091
  170   3HE   MET  20          3HE       MET  20  -1.836   8.209   5.660
  171    H    LYS  21           H        LYS  21  -7.127  11.650   4.939
  172    HA   LYS  21           HA       LYS  21  -7.902  14.137   3.826
  173   1HB   LYS  21          2HB       LYS  21  -8.089  14.827   6.261
  174   2HB   LYS  21          1HB       LYS  21  -9.044  13.432   5.777
  175   1HG   LYS  21          2HG       LYS  21  -7.863  12.001   7.066
  176   2HG   LYS  21          1HG       LYS  21  -6.347  12.874   6.840
  177   1HD   LYS  21          2HD       LYS  21  -6.919  14.488   8.468
  178   2HD   LYS  21          1HD       LYS  21  -8.606  13.969   8.496
  179   1HE   LYS  21          2HE       LYS  21  -8.180  12.198   9.850
  180   2HE   LYS  21          1HE       LYS  21  -6.575  11.928   9.173
  181   1HZ   LYS  21          1HZ       LYS  21  -7.289  14.129  11.035
  182   2HZ   LYS  21          2HZ       LYS  21  -5.745  13.793  10.431
  183   3HZ   LYS  21          3HZ       LYS  21  -6.498  12.700  11.478
  184    H    GLY  22           H        GLY  22  -6.422  15.477   2.974
  185   1HA   GLY  22          2HA       GLY  22  -4.899  17.287   3.566
  186   2HA   GLY  22          1HA       GLY  22  -4.103  16.171   4.664
  187    H    TYR  23           H        TYR  23  -4.685  14.263   2.134
  188    HA   TYR  23           HA       TYR  23  -2.441  15.173   0.486
  189   1HB   TYR  23          2HB       TYR  23  -2.522  12.280   1.268
  190   2HB   TYR  23          1HB       TYR  23  -1.160  13.247   0.718
  191    HD1  TYR  23           1HD      TYR  23  -2.631  11.708   3.500
  192    HD2  TYR  23           2HD      TYR  23  -0.462  15.193   2.384
  193    HE1  TYR  23           1HE      TYR  23  -1.910  11.998   5.832
  194    HE2  TYR  23           2HE      TYR  23   0.267  15.492   4.714
  195    HH   TYR  23           HH       TYR  23   0.167  13.176   6.984
  196    HA   PRO  24           HA       PRO  24  -4.987  13.536  -2.733
  197   1HB   PRO  24          2HB       PRO  24  -3.253  13.391  -4.755
  198   2HB   PRO  24          1HB       PRO  24  -3.676  14.948  -4.031
  199   1HG   PRO  24          2HG       PRO  24  -1.233  13.274  -3.635
  200   2HG   PRO  24          1HG       PRO  24  -1.375  15.034  -3.767
  201   1HD   PRO  24          2HD       PRO  24  -1.158  13.616  -1.386
  202   2HD   PRO  24          1HD       PRO  24  -1.778  15.270  -1.538
  203    H    HIS  25           H        HIS  25  -5.110  11.757  -4.404
  204    HA   HIS  25           HA       HIS  25  -4.983   9.243  -3.301
  205   1HB   HIS  25          2HB       HIS  25  -4.804  10.079  -6.201
  206   2HB   HIS  25          1HB       HIS  25  -5.000   8.407  -5.689
  207    HD1  HIS  25           1HD      HIS  25  -6.807  11.728  -5.510
  208    HD2  HIS  25           2HD      HIS  25  -7.579   7.657  -5.190
  209    HE1  HIS  25           1HE      HIS  25  -9.310  11.527  -5.381
  210    HE2  HIS  25           2HE      HIS  25  -9.758   9.050  -5.272
  211    H    TRP  26           H        TRP  26  -3.225   8.226  -2.499
  212    HA   TRP  26           HA       TRP  26  -0.631   8.629  -3.798
  213   1HB   TRP  26          2HB       TRP  26  -1.196   8.821  -1.205
  214   2HB   TRP  26          1HB       TRP  26  -0.891   7.088  -1.263
  215    HD1  TRP  26           HD       TRP  26   1.637   6.412  -2.317
  216    HE1  TRP  26           1HE      TRP  26   3.887   7.601  -1.890
  217    HE3  TRP  26           3HE      TRP  26  -0.109  10.955  -0.750
  218    HZ2  TRP  26           2HZ      TRP  26   4.786  10.128  -1.016
  219    HZ3  TRP  26           3HZ      TRP  26   1.498  12.694  -0.142
  220    HH2  TRP  26           HH       TRP  26   3.885  12.292  -0.273
  221    HA   PRO  27           HA       PRO  27  -0.931   4.652  -5.801
  222   1HB   PRO  27          2HB       PRO  27   1.815   4.249  -6.001
  223   2HB   PRO  27          1HB       PRO  27   0.826   5.119  -7.177
  224   1HG   PRO  27          2HG       PRO  27   2.537   6.186  -4.976
  225   2HG   PRO  27          1HG       PRO  27   2.283   6.821  -6.611
  226   1HD   PRO  27          2HD       PRO  27   1.092   7.930  -4.483
  227   2HD   PRO  27          1HD       PRO  27   0.259   7.809  -6.048
  228    H    ALA  28           H        ALA  28  -1.413   2.889  -4.669
  229    HA   ALA  28           HA       ALA  28   0.518   1.899  -2.707
  230   1HB   ALA  28          1HB       ALA  28  -1.897   3.214  -2.028
  231   2HB   ALA  28          2HB       ALA  28  -0.708   2.469  -0.956
  232   3HB   ALA  28          3HB       ALA  28  -2.054   1.514  -1.580
  233    H    ARG  29           H        ARG  29  -0.348  -0.249  -1.758
  234    HA   ARG  29           HA       ARG  29  -1.771  -1.832  -3.765
  235   1HB   ARG  29          2HB       ARG  29   0.690  -1.982  -4.213
  236   2HB   ARG  29          1HB       ARG  29   0.892  -2.677  -2.611
  237   1HG   ARG  29          2HG       ARG  29  -0.786  -4.455  -3.388
  238   2HG   ARG  29          1HG       ARG  29  -0.454  -3.855  -5.012
  239   1HD   ARG  29          2HD       ARG  29   1.288  -5.243  -5.041
  240   2HD   ARG  29          1HD       ARG  29   2.056  -4.160  -3.882
  241    HE   ARG  29           HE       ARG  29   0.436  -5.889  -2.435
  242   1HH1  ARG  29          1HH1      ARG  29   3.254  -6.087  -4.484
  243   2HH1  ARG  29          2HH1      ARG  29   3.886  -7.490  -3.691
  244   1HH2  ARG  29          1HH2      ARG  29   1.265  -7.736  -1.392
  245   2HH2  ARG  29          2HH2      ARG  29   2.757  -8.427  -1.936
  246    H    ILE  30           H        ILE  30  -2.594  -3.858  -2.936
  247    HA   ILE  30           HA       ILE  30  -3.312  -3.684  -0.130
  248    HB   ILE  30           HB       ILE  30  -4.009  -5.905  -2.051
  249   1HG1  ILE  30          2HG1      ILE  30  -4.649  -3.672  -2.963
  250   2HG1  ILE  30          1HG1      ILE  30  -6.031  -4.705  -2.614
  251   1HG2  ILE  30          1HG2      ILE  30  -4.519  -6.574   0.134
  252   2HG2  ILE  30          2HG2      ILE  30  -6.047  -5.979  -0.516
  253   3HG2  ILE  30          3HG2      ILE  30  -5.104  -4.971   0.582
  254   1HD1  ILE  30          1HD1      ILE  30  -6.525  -2.478  -1.909
  255   2HD1  ILE  30          2HD1      ILE  30  -5.035  -2.395  -0.968
  256   3HD1  ILE  30          3HD1      ILE  30  -6.329  -3.489  -0.477
  257    H    ASP  31           H        ASP  31  -1.958  -4.467   1.377
  258    HA   ASP  31           HA       ASP  31  -0.278  -6.766   0.671
  259   1HB   ASP  31          2HB       ASP  31   0.577  -4.381   1.546
  260   2HB   ASP  31          1HB       ASP  31   0.336  -5.178   3.099
  261    H    GLU  32           H        GLU  32  -2.936  -5.884   2.630
  262    HA   GLU  32           HA       GLU  32  -3.012  -8.504   3.777
  263   1HB   GLU  32          2HB       GLU  32  -1.647  -6.535   5.242
  264   2HB   GLU  32          1HB       GLU  32  -3.208  -6.715   6.030
  265   1HG   GLU  32          2HG       GLU  32  -1.843  -9.224   5.334
  266   2HG   GLU  32          1HG       GLU  32  -1.055  -8.237   6.564
  267    H    MET  33           H        MET  33  -4.995  -8.986   4.797
  268    HA   MET  33           HA       MET  33  -7.050  -6.956   4.938
  269   1HB   MET  33          2HB       MET  33  -8.583  -8.276   3.438
  270   2HB   MET  33          1HB       MET  33  -7.262  -7.450   2.621
  271   1HG   MET  33          2HG       MET  33  -6.043  -9.483   2.380
  272   2HG   MET  33          1HG       MET  33  -7.181 -10.350   3.409
  273   1HE   MET  33          1HE       MET  33  -7.181  -8.116   0.061
  274   2HE   MET  33          2HE       MET  33  -8.536  -7.670   1.098
  275   3HE   MET  33          3HE       MET  33  -8.832  -8.485  -0.437
  276    HA   PRO  34           HA       PRO  34  -8.565  -9.728   8.029
  277   1HB   PRO  34          2HB       PRO  34 -11.109  -8.921   8.282
  278   2HB   PRO  34          1HB       PRO  34  -9.760  -7.877   8.742
  279   1HG   PRO  34          2HG       PRO  34 -11.428  -7.835   6.260
  280   2HG   PRO  34          1HG       PRO  34 -10.835  -6.478   7.235
  281   1HD   PRO  34          2HD       PRO  34  -9.660  -7.342   4.900
  282   2HD   PRO  34          1HD       PRO  34  -8.808  -6.457   6.180
  283    H    GLU  35           H        GLU  35 -10.035 -11.490   8.451
  284    HA   GLU  35           HA       GLU  35 -10.702 -12.949   6.054
  285   1HB   GLU  35          2HB       GLU  35  -9.705 -13.823   8.336
  286   2HB   GLU  35          1HB       GLU  35 -11.403 -13.942   8.779
  287   1HG   GLU  35          2HG       GLU  35 -11.103 -16.024   7.947
  288   2HG   GLU  35          1HG       GLU  35 -11.546 -15.194   6.455
  289    H    ALA  36           H        ALA  36 -12.361 -11.415   8.713
  290    HA   ALA  36           HA       ALA  36 -14.744 -11.023   7.220
  291   1HB   ALA  36          1HB       ALA  36 -14.637 -13.533   8.269
  292   2HB   ALA  36          2HB       ALA  36 -16.124 -12.654   7.919
  293   3HB   ALA  36          3HB       ALA  36 -15.462 -12.650   9.553
  294    H    ALA  37           H        ALA  37 -13.212 -11.245  10.367
  295    HA   ALA  37           HA       ALA  37 -13.898  -8.550  11.021
  296   1HB   ALA  37          1HB       ALA  37 -14.919  -9.558  13.294
  297   2HB   ALA  37          2HB       ALA  37 -15.464 -10.785  12.151
  298   3HB   ALA  37          3HB       ALA  37 -15.910  -9.096  11.909
  299    H    VAL  38           H        VAL  38 -12.880 -11.687  12.309
  300    HA   VAL  38           HA       VAL  38 -11.229 -12.318  13.716
  301    HB   VAL  38           HB       VAL  38  -9.041 -11.548  13.208
  302   1HG1  VAL  38          1HG1      VAL  38 -10.885 -11.557  10.837
  303   2HG1  VAL  38          2HG1      VAL  38  -9.868 -12.862  11.447
  304   3HG1  VAL  38          3HG1      VAL  38  -9.133 -11.465  10.662
  305   1HG2  VAL  38          1HG2      VAL  38  -9.795  -9.058  13.328
  306   2HG2  VAL  38          2HG2      VAL  38 -10.045  -9.241  11.594
  307   3HG2  VAL  38          3HG2      VAL  38  -8.447  -9.508  12.285
  308    H    LYS  39           H        LYS  39 -13.083 -10.116  14.608
  309    HA   LYS  39           HA       LYS  39 -13.311  -8.573  16.282
  310   1HB   LYS  39          2HB       LYS  39 -11.470 -10.340  17.860
  311   2HB   LYS  39          1HB       LYS  39 -12.924  -9.506  18.390
  312   1HG   LYS  39          2HG       LYS  39 -14.261 -11.197  17.789
  313   2HG   LYS  39          1HG       LYS  39 -13.390 -11.485  16.281
  314   1HD   LYS  39          2HD       LYS  39 -11.733 -12.216  18.507
  315   2HD   LYS  39          1HD       LYS  39 -13.305 -13.004  18.656
  316   1HE   LYS  39          2HE       LYS  39 -12.357 -13.128  15.937
  317   2HE   LYS  39          1HE       LYS  39 -11.154 -13.783  17.045
  318   1HZ   LYS  39          1HZ       LYS  39 -12.479 -15.505  17.612
  319   2HZ   LYS  39          2HZ       LYS  39 -13.137 -15.225  16.079
  320   3HZ   LYS  39          3HZ       LYS  39 -13.914 -14.623  17.455
  321    H    SER  40           H        SER  40 -11.718  -7.265  14.780
  322    HA   SER  40           HA       SER  40 -10.178  -5.631  16.412
  323   1HB   SER  40          2HB       SER  40  -7.870  -6.232  15.514
  324   2HB   SER  40          1HB       SER  40  -8.552  -7.343  16.701
  325    HG   SER  40           HG       SER  40  -8.041  -7.713  14.002
  326    H    THR  41           H        THR  41 -10.279  -7.033  13.153
  327    HA   THR  41           HA       THR  41  -9.487  -4.560  11.906
  328    HB   THR  41           HB       THR  41  -9.950  -5.763   9.788
  329    HG1  THR  41           1HG      THR  41 -11.673  -7.071  10.788
  330   1HG2  THR  41          1HG2      THR  41  -8.324  -7.301  11.795
  331   2HG2  THR  41          2HG2      THR  41  -7.754  -6.070  10.668
  332   3HG2  THR  41          3HG2      THR  41  -8.335  -7.620  10.060
  333    H    ALA  42           H        ALA  42 -10.907  -2.926  12.126
  334    HA   ALA  42           HA       ALA  42 -13.736  -3.285  12.102
  335   1HB   ALA  42          1HB       ALA  42 -12.399  -0.651  11.644
  336   2HB   ALA  42          2HB       ALA  42 -12.331  -1.426  13.227
  337   3HB   ALA  42          3HB       ALA  42 -13.890  -1.006  12.517
  338    H    ASN  43           H        ASN  43 -13.037  -4.516   9.861
  339    HA   ASN  43           HA       ASN  43 -13.333  -4.639   7.631
  340   1HB   ASN  43          2HB       ASN  43 -15.493  -3.203   8.671
  341   2HB   ASN  43          1HB       ASN  43 -14.996  -2.295   7.247
  342   1HD2  ASN  43          1HD2      ASN  43 -17.059  -2.918   6.381
  343   2HD2  ASN  43          2HD2      ASN  43 -17.251  -4.472   5.652
  344    H    LYS  44           H        LYS  44 -10.988  -3.548   8.173
  345    HA   LYS  44           HA       LYS  44 -10.725  -1.458   6.120
  346   1HB   LYS  44          2HB       LYS  44  -8.843  -1.424   8.427
  347   2HB   LYS  44          1HB       LYS  44  -9.415  -0.097   7.427
  348   1HG   LYS  44          2HG       LYS  44 -11.361   0.160   8.644
  349   2HG   LYS  44          1HG       LYS  44 -11.302  -1.487   9.275
  350   1HD   LYS  44          2HD       LYS  44  -9.363   0.705  10.011
  351   2HD   LYS  44          1HD       LYS  44 -10.766   0.241  10.975
  352   1HE   LYS  44          2HE       LYS  44  -9.670  -2.158  10.748
  353   2HE   LYS  44          1HE       LYS  44  -8.207  -1.201  10.518
  354   1HZ   LYS  44          1HZ       LYS  44  -9.886  -0.420  12.752
  355   2HZ   LYS  44          2HZ       LYS  44  -8.203  -0.535  12.651
  356   3HZ   LYS  44          3HZ       LYS  44  -9.131  -1.926  12.901
  357    H    TYR  45           H        TYR  45  -9.046  -1.657   4.740
  358    HA   TYR  45           HA       TYR  45  -7.520  -4.156   4.864
  359   1HB   TYR  45          2HB       TYR  45  -7.766  -2.124   2.629
  360   2HB   TYR  45          1HB       TYR  45  -6.961  -3.686   2.520
  361    HD1  TYR  45           1HD      TYR  45  -8.188  -5.663   2.089
  362    HD2  TYR  45           2HD      TYR  45 -10.249  -2.047   2.970
  363    HE1  TYR  45           1HE      TYR  45 -10.308  -6.717   1.425
  364    HE2  TYR  45           2HE      TYR  45 -12.375  -3.091   2.308
  365    HH   TYR  45           HH       TYR  45 -13.187  -4.924   0.959
  366    H    GLN  46           H        GLN  46  -5.231  -4.181   4.538
  367    HA   GLN  46           HA       GLN  46  -3.914  -1.775   5.581
  368   1HB   GLN  46          2HB       GLN  46  -3.637  -4.171   6.580
  369   2HB   GLN  46          1HB       GLN  46  -2.555  -4.428   5.219
  370   1HG   GLN  46          2HG       GLN  46  -1.304  -2.378   5.980
  371   2HG   GLN  46          1HG       GLN  46  -2.275  -2.439   7.450
  372   1HE2  GLN  46          1HE2      GLN  46   0.469  -3.590   5.856
  373   2HE2  GLN  46          2HE2      GLN  46   0.935  -4.794   7.003
  374    H    VAL  47           H        VAL  47  -3.364  -0.449   3.976
  375    HA   VAL  47           HA       VAL  47  -2.324  -1.585   1.489
  376    HB   VAL  47           HB       VAL  47  -2.689   0.602   0.488
  377   1HG1  VAL  47          1HG1      VAL  47  -5.302   0.596   1.500
  378   2HG1  VAL  47          2HG1      VAL  47  -4.741  -1.073   1.596
  379   3HG1  VAL  47          3HG1      VAL  47  -4.705  -0.218   0.054
  380   1HG2  VAL  47          1HG2      VAL  47  -4.208   2.057   2.256
  381   2HG2  VAL  47          2HG2      VAL  47  -2.521   2.371   1.847
  382   3HG2  VAL  47          3HG2      VAL  47  -2.920   1.420   3.278
  383    H    PHE  48           H        PHE  48  -0.459  -0.849   0.521
  384    HA   PHE  48           HA       PHE  48   1.546   0.253   2.377
  385   1HB   PHE  48          2HB       PHE  48   1.983  -2.008   1.441
  386   2HB   PHE  48          1HB       PHE  48   1.950  -1.324  -0.179
  387    HD1  PHE  48           1HD      PHE  48   3.596  -0.370   3.040
  388    HD2  PHE  48           2HD      PHE  48   4.031  -1.219  -1.109
  389    HE1  PHE  48           1HE      PHE  48   6.005   0.107   3.199
  390    HE2  PHE  48           2HE      PHE  48   6.441  -0.744  -0.957
  391    HZ   PHE  48           HZ       PHE  48   7.430  -0.081   1.199
  392    H    PHE  49           H        PHE  49   2.259   2.255   2.016
  393    HA   PHE  49           HA       PHE  49   1.521   3.640  -0.444
  394   1HB   PHE  49          2HB       PHE  49   2.763   4.670   2.118
  395   2HB   PHE  49          1HB       PHE  49   2.301   5.672   0.748
  396    HD1  PHE  49           1HD      PHE  49   1.365   5.008   3.883
  397    HD2  PHE  49           2HD      PHE  49  -0.299   4.829  -0.031
  398    HE1  PHE  49           1HE      PHE  49  -0.887   5.240   4.831
  399    HE2  PHE  49           2HE      PHE  49  -2.552   5.055   0.916
  400    HZ   PHE  49           HZ       PHE  49  -2.853   5.261   3.351
  401    H    PHE  50           H        PHE  50   2.933   3.342  -2.083
  402    HA   PHE  50           HA       PHE  50   5.619   2.618  -1.843
  403   1HB   PHE  50          2HB       PHE  50   4.037   3.874  -4.077
  404   2HB   PHE  50          1HB       PHE  50   5.759   3.550  -4.249
  405    HD1  PHE  50           1HD      PHE  50   6.395   1.065  -3.381
  406    HD2  PHE  50           2HD      PHE  50   2.640   2.296  -4.964
  407    HE1  PHE  50           1HE      PHE  50   5.897  -1.264  -4.001
  408    HE2  PHE  50           2HE      PHE  50   2.136  -0.033  -5.580
  409    HZ   PHE  50           HZ       PHE  50   3.763  -1.815  -5.099
  410    H    GLY  51           H        GLY  51   7.397   4.054  -2.951
  411   1HA   GLY  51          2HA       GLY  51   8.717   5.939  -2.885
  412   2HA   GLY  51          1HA       GLY  51   7.266   6.870  -2.539
  413    H    THR  52           H        THR  52   6.389   6.307  -0.216
  414    HA   THR  52           HA       THR  52   8.576   6.934   1.606
  415    HB   THR  52           HB       THR  52   6.823   7.524   3.195
  416    HG1  THR  52           1HG      THR  52   5.016   6.638   1.199
  417   1HG2  THR  52          1HG2      THR  52   5.882   9.390   2.141
  418   2HG2  THR  52          2HG2      THR  52   5.935   8.624   0.554
  419   3HG2  THR  52          3HG2      THR  52   7.431   9.131   1.338
  420    H    HIS  53           H        HIS  53   6.541   4.288   0.758
  421    HA   HIS  53           HA       HIS  53   6.420   2.133   1.492
  422   1HB   HIS  53          2HB       HIS  53   8.967   2.986   2.873
  423   2HB   HIS  53          1HB       HIS  53   8.304   1.368   3.063
  424    HD1  HIS  53           1HD      HIS  53  10.954   1.288   1.898
  425    HD2  HIS  53           2HD      HIS  53   7.625   2.005  -0.481
  426    HE1  HIS  53           1HE      HIS  53  11.654   0.679  -0.437
  427    HE2  HIS  53           2HE      HIS  53   9.601   1.048  -1.847
  428    H    GLU  54           H        GLU  54   4.965   4.213   2.801
  429    HA   GLU  54           HA       GLU  54   5.002   3.526   5.635
  430   1HB   GLU  54          2HB       GLU  54   3.235   5.459   4.125
  431   2HB   GLU  54          1HB       GLU  54   3.334   5.303   5.874
  432   1HG   GLU  54          2HG       GLU  54   5.537   6.159   5.917
  433   2HG   GLU  54          1HG       GLU  54   5.700   6.026   4.166
  434    H    THR  55           H        THR  55   3.107   2.754   6.761
  435    HA   THR  55           HA       THR  55   1.236   1.328   5.001
  436    HB   THR  55           HB       THR  55   1.302  -0.144   7.353
  437    HG1  THR  55           1HG      THR  55   3.447  -0.477   7.795
  438   1HG2  THR  55          1HG2      THR  55   2.384  -0.525   4.625
  439   2HG2  THR  55          2HG2      THR  55   1.190  -1.467   5.518
  440   3HG2  THR  55          3HG2      THR  55   2.906  -1.639   5.888
  441    H    ALA  56           H        ALA  56  -0.872   1.270   5.533
  442    HA   ALA  56           HA       ALA  56  -1.800   2.282   8.085
  443   1HB   ALA  56          1HB       ALA  56  -1.504   4.046   5.897
  444   2HB   ALA  56          2HB       ALA  56  -2.194   4.376   7.485
  445   3HB   ALA  56          3HB       ALA  56  -3.230   3.818   6.171
  446    H    PHE  57           H        PHE  57  -4.347   2.530   7.922
  447    HA   PHE  57           HA       PHE  57  -5.344   0.224   6.392
  448   1HB   PHE  57          2HB       PHE  57  -6.094   1.134   9.173
  449   2HB   PHE  57          1HB       PHE  57  -7.001  -0.071   8.264
  450    HD1  PHE  57           1HD      PHE  57  -3.463   0.621   9.235
  451    HD2  PHE  57           2HD      PHE  57  -6.547  -2.267   8.717
  452    HE1  PHE  57           1HE      PHE  57  -1.952  -1.135  10.064
  453    HE2  PHE  57           2HE      PHE  57  -5.041  -4.028   9.548
  454    HZ   PHE  57           HZ       PHE  57  -2.740  -3.463  10.222
  455    H    LEU  58           H        LEU  58  -6.966   0.625   5.030
  456    HA   LEU  58           HA       LEU  58  -8.715   2.916   5.533
  457   1HB   LEU  58          2HB       LEU  58  -7.217   2.407   2.968
  458   2HB   LEU  58          1HB       LEU  58  -8.560   3.524   3.105
  459    HG   LEU  58           HG       LEU  58  -6.323   3.929   5.003
  460   1HD1  LEU  58          1HD1      LEU  58  -5.838   5.214   2.426
  461   2HD1  LEU  58          2HD1      LEU  58  -5.618   3.465   2.404
  462   3HD1  LEU  58          3HD1      LEU  58  -4.710   4.453   3.548
  463   1HD2  LEU  58          1HD2      LEU  58  -7.841   5.865   3.265
  464   2HD2  LEU  58          2HD2      LEU  58  -6.866   6.229   4.690
  465   3HD2  LEU  58          3HD2      LEU  58  -8.383   5.344   4.860
  466    H    GLY  59           H        GLY  59 -10.659   2.901   4.106
  467   1HA   GLY  59          2HA       GLY  59 -11.605   0.146   3.846
  468   2HA   GLY  59          1HA       GLY  59 -12.609   1.587   3.890
  469    HA   PRO  60           HA       PRO  60 -12.025  -0.017  -0.528
  470   1HB   PRO  60          2HB       PRO  60 -14.678  -0.410  -1.039
  471   2HB   PRO  60          1HB       PRO  60 -13.605  -1.669  -0.416
  472   1HG   PRO  60          2HG       PRO  60 -15.538   0.076   1.058
  473   2HG   PRO  60          1HG       PRO  60 -15.218  -1.657   1.255
  474   1HD   PRO  60          2HD       PRO  60 -14.198   0.190   2.935
  475   2HD   PRO  60          1HD       PRO  60 -13.316  -1.292   2.512
  476    H    LYS  61           H        LYS  61 -14.135   2.283   1.069
  477    HA   LYS  61           HA       LYS  61 -14.927   3.689  -1.270
  478   1HB   LYS  61          2HB       LYS  61 -14.791   4.694   1.577
  479   2HB   LYS  61          1HB       LYS  61 -15.712   5.410   0.261
  480   1HG   LYS  61          2HG       LYS  61 -16.510   2.715   0.435
  481   2HG   LYS  61          1HG       LYS  61 -16.473   3.349   2.081
  482   1HD   LYS  61          2HD       LYS  61 -17.726   5.016  -0.042
  483   2HD   LYS  61          1HD       LYS  61 -18.610   3.604   0.540
  484   1HE   LYS  61          2HE       LYS  61 -18.619   4.423   2.770
  485   2HE   LYS  61          1HE       LYS  61 -17.459   5.691   2.379
  486   1HZ   LYS  61          1HZ       LYS  61 -19.094   7.033   1.751
  487   2HZ   LYS  61          2HZ       LYS  61 -20.194   5.912   2.378
  488   3HZ   LYS  61          3HZ       LYS  61 -19.782   5.865   0.739
  489    H    ASP  62           H        ASP  62 -12.101   3.729   0.729
  490    HA   ASP  62           HA       ASP  62 -11.179   6.238  -0.465
  491   1HB   ASP  62          2HB       ASP  62 -10.257   4.594   1.876
  492   2HB   ASP  62          1HB       ASP  62  -9.213   5.824   1.169
  493    H    LEU  63           H        LEU  63 -11.190   3.157  -1.426
  494    HA   LEU  63           HA       LEU  63  -8.457   3.268  -2.511
  495   1HB   LEU  63          2HB       LEU  63 -10.253   0.873  -2.120
  496   2HB   LEU  63          1HB       LEU  63  -8.650   0.831  -2.830
  497    HG   LEU  63           HG       LEU  63  -9.071   1.854  -0.040
  498   1HD1  LEU  63          1HD1      LEU  63  -8.801  -0.303   0.871
  499   2HD1  LEU  63          2HD1      LEU  63  -8.428  -1.005  -0.703
  500   3HD1  LEU  63          3HD1      LEU  63 -10.065  -0.452  -0.350
  501   1HD2  LEU  63          1HD2      LEU  63  -6.895   1.908  -1.628
  502   2HD2  LEU  63          2HD2      LEU  63  -6.675   0.342  -0.846
  503   3HD2  LEU  63          3HD2      LEU  63  -6.825   1.804   0.131
  504    H    PHE  64           H        PHE  64  -8.146   3.153  -4.693
  505    HA   PHE  64           HA       PHE  64 -10.507   2.772  -6.402
  506   1HB   PHE  64          2HB       PHE  64  -8.485   4.983  -6.825
  507   2HB   PHE  64          1HB       PHE  64  -9.959   4.701  -7.743
  508    HD1  PHE  64           1HD      PHE  64  -8.898   5.287  -4.211
  509    HD2  PHE  64           2HD      PHE  64 -11.773   6.016  -7.264
  510    HE1  PHE  64           1HE      PHE  64 -10.125   6.783  -2.693
  511    HE2  PHE  64           2HE      PHE  64 -13.004   7.514  -5.751
  512    HZ   PHE  64           HZ       PHE  64 -12.181   7.900  -3.461
  513    HA   PRO  65           HA       PRO  65  -7.868   0.332  -8.957
  514   1HB   PRO  65          2HB       PRO  65  -8.999   1.488 -11.395
  515   2HB   PRO  65          1HB       PRO  65  -9.179  -0.144 -10.750
  516   1HG   PRO  65          2HG       PRO  65 -11.213   1.633 -10.788
  517   2HG   PRO  65          1HG       PRO  65 -11.042   0.406  -9.520
  518   1HD   PRO  65          2HD       PRO  65 -10.355   3.321  -9.445
  519   2HD   PRO  65          1HD       PRO  65 -11.116   2.310  -8.199
  520    H    TYR  66           H        TYR  66  -5.765   0.919  -8.975
  521    HA   TYR  66           HA       TYR  66  -4.687   3.382  -9.584
  522   1HB   TYR  66          2HB       TYR  66  -3.362   1.685  -8.490
  523   2HB   TYR  66          1HB       TYR  66  -3.448   0.642  -9.907
  524    HD1  TYR  66           1HD      TYR  66  -1.958   0.934 -11.741
  525    HD2  TYR  66           2HD      TYR  66  -2.023   3.781  -8.582
  526    HE1  TYR  66           1HE      TYR  66   0.095   1.955 -12.629
  527    HE2  TYR  66           2HE      TYR  66   0.032   4.809  -9.457
  528    HH   TYR  66           HH       TYR  66   2.021   3.348 -11.666
  529    H    GLU  67           H        GLU  67  -4.721   0.564 -11.773
  530    HA   GLU  67           HA       GLU  67  -3.674   1.764 -14.020
  531   1HB   GLU  67          2HB       GLU  67  -5.870  -0.314 -13.974
  532   2HB   GLU  67          1HB       GLU  67  -4.798   0.028 -15.325
  533   1HG   GLU  67          2HG       GLU  67  -3.144  -1.207 -14.479
  534   2HG   GLU  67          1HG       GLU  67  -3.387  -0.585 -12.848
  535    H    GLU  68           H        GLU  68  -7.028   1.754 -12.944
  536    HA   GLU  68           HA       GLU  68  -8.079   3.062 -15.216
  537   1HB   GLU  68          2HB       GLU  68  -9.232   1.684 -13.285
  538   2HB   GLU  68          1HB       GLU  68  -9.430   3.280 -12.571
  539   1HG   GLU  68          2HG       GLU  68 -10.325   2.589 -15.354
  540   2HG   GLU  68          1HG       GLU  68 -11.359   2.444 -13.933
  541    H    SER  69           H        SER  69  -6.922   4.273 -12.096
  542    HA   SER  69           HA       SER  69  -7.470   7.005 -13.063
  543   1HB   SER  69          2HB       SER  69  -6.934   6.087 -10.232
  544   2HB   SER  69          1HB       SER  69  -7.381   7.716 -10.734
  545    HG   SER  69           HG       SER  69  -9.399   7.073 -11.100
  546    H    LYS  70           H        LYS  70  -5.027   5.060 -13.424
  547    HA   LYS  70           HA       LYS  70  -2.826   6.157 -12.123
  548   1HB   LYS  70          2HB       LYS  70  -1.461   5.076 -13.740
  549   2HB   LYS  70          1HB       LYS  70  -2.864   4.050 -13.495
  550   1HG   LYS  70          2HG       LYS  70  -3.816   4.727 -15.573
  551   2HG   LYS  70          1HG       LYS  70  -2.598   5.986 -15.782
  552   1HD   LYS  70          2HD       LYS  70  -1.472   4.483 -16.992
  553   2HD   LYS  70          1HD       LYS  70  -1.080   3.718 -15.451
  554   1HE   LYS  70          2HE       LYS  70  -1.944   1.943 -16.628
  555   2HE   LYS  70          1HE       LYS  70  -3.377   2.529 -15.786
  556   1HZ   LYS  70          1HZ       LYS  70  -3.321   2.065 -18.390
  557   2HZ   LYS  70          2HZ       LYS  70  -2.850   3.690 -18.402
  558   3HZ   LYS  70          3HZ       LYS  70  -4.319   3.241 -17.693
  559    H    GLU  71           H        GLU  71  -4.241   7.058 -15.249
  560    HA   GLU  71           HA       GLU  71  -2.380   9.154 -15.748
  561   1HB   GLU  71          2HB       GLU  71  -5.135   8.768 -16.926
  562   2HB   GLU  71          1HB       GLU  71  -3.848   9.768 -17.585
  563   1HG   GLU  71          2HG       GLU  71  -2.602   7.373 -17.433
  564   2HG   GLU  71          1HG       GLU  71  -4.263   6.868 -17.741
  565    H    LYS  72           H        LYS  72  -5.241   8.918 -13.844
  566    HA   LYS  72           HA       LYS  72  -5.782  11.755 -13.845
  567   1HB   LYS  72          2HB       LYS  72  -7.358   9.597 -13.482
  568   2HB   LYS  72          1HB       LYS  72  -7.021  10.009 -11.806
  569   1HG   LYS  72          2HG       LYS  72  -7.693  12.404 -12.538
  570   2HG   LYS  72          1HG       LYS  72  -8.472  11.572 -13.885
  571   1HD   LYS  72          2HD       LYS  72  -9.932  10.411 -12.475
  572   2HD   LYS  72          1HD       LYS  72  -8.942  10.722 -11.047
  573   1HE   LYS  72          2HE       LYS  72  -9.528  13.249 -11.805
  574   2HE   LYS  72          1HE       LYS  72 -10.977  12.406 -12.351
  575   1HZ   LYS  72          1HZ       LYS  72 -10.697  11.384  -9.912
  576   2HZ   LYS  72          2HZ       LYS  72 -11.617  12.764 -10.241
  577   3HZ   LYS  72          3HZ       LYS  72 -10.039  12.921  -9.654
  578    H    PHE  73           H        PHE  73  -4.677   9.360 -11.461
  579    HA   PHE  73           HA       PHE  73  -3.896  11.563  -9.682
  580   1HB   PHE  73          2HB       PHE  73  -4.011   8.618  -9.029
  581   2HB   PHE  73          1HB       PHE  73  -3.880   9.960  -7.898
  582    HD1  PHE  73           1HD      PHE  73  -5.945  11.771  -9.161
  583    HD2  PHE  73           2HD      PHE  73  -5.984   7.611  -8.264
  584    HE1  PHE  73           1HE      PHE  73  -8.396  11.840  -8.962
  585    HE2  PHE  73           2HE      PHE  73  -8.435   7.673  -8.066
  586    HZ   PHE  73           HZ       PHE  73  -9.644   9.789  -8.416
  587    H    GLY  74           H        GLY  74  -2.444   9.615 -11.979
  588   1HA   GLY  74          2HA       GLY  74   0.019   9.150 -10.541
  589   2HA   GLY  74          1HA       GLY  74  -0.289   8.787 -12.231
  590    H    LYS  75           H        LYS  75   0.198  11.559 -10.034
  591    HA   LYS  75           HA       LYS  75   2.049  12.706 -11.951
  592   1HB   LYS  75          2HB       LYS  75  -0.387  14.210 -10.974
  593   2HB   LYS  75          1HB       LYS  75   0.933  14.907 -11.903
  594   1HG   LYS  75          2HG       LYS  75   0.304  12.985 -13.593
  595   2HG   LYS  75          1HG       LYS  75  -1.254  13.097 -12.771
  596   1HD   LYS  75          2HD       LYS  75  -0.199  15.715 -13.420
  597   2HD   LYS  75          1HD       LYS  75  -0.341  14.700 -14.856
  598   1HE   LYS  75          2HE       LYS  75  -2.702  14.175 -13.668
  599   2HE   LYS  75          1HE       LYS  75  -2.435  15.827 -13.108
  600   1HZ   LYS  75          1HZ       LYS  75  -2.551  16.660 -15.219
  601   2HZ   LYS  75          2HZ       LYS  75  -3.637  15.369 -15.356
  602   3HZ   LYS  75          3HZ       LYS  75  -2.062  15.216 -15.955
  603    HA   PRO  76           HA       PRO  76   4.339  13.862  -8.385
  604   1HB   PRO  76          2HB       PRO  76   5.047  16.472  -9.043
  605   2HB   PRO  76          1HB       PRO  76   5.911  15.018  -9.548
  606   1HG   PRO  76          2HG       PRO  76   3.907  16.648 -11.043
  607   2HG   PRO  76          1HG       PRO  76   5.378  15.854 -11.636
  608   1HD   PRO  76          2HD       PRO  76   2.955  14.807 -12.083
  609   2HD   PRO  76          1HD       PRO  76   4.357  13.771 -11.745
  610    H    ASN  77           H        ASN  77   4.329  15.174  -6.508
  611    HA   ASN  77           HA       ASN  77   2.046  17.011  -6.240
  612   1HB   ASN  77          2HB       ASN  77   2.556  14.513  -4.686
  613   2HB   ASN  77          1HB       ASN  77   1.843  15.890  -3.851
  614   1HD2  ASN  77          1HD2      ASN  77   0.059  16.958  -5.320
  615   2HD2  ASN  77          2HD2      ASN  77  -1.119  15.842  -5.913
  616    H    LYS  78           H        LYS  78   2.118  18.227  -4.144
  617    HA   LYS  78           HA       LYS  78   4.783  19.295  -3.803
  618   1HB   LYS  78          2HB       LYS  78   2.079  20.237  -3.442
  619   2HB   LYS  78          1HB       LYS  78   3.034  20.562  -2.002
  620   1HG   LYS  78          2HG       LYS  78   4.245  21.240  -4.618
  621   2HG   LYS  78          1HG       LYS  78   2.913  22.246  -4.046
  622   1HD   LYS  78          2HD       LYS  78   4.431  22.036  -1.798
  623   2HD   LYS  78          1HD       LYS  78   5.669  22.014  -3.055
  624   1HE   LYS  78          2HE       LYS  78   4.890  24.097  -3.947
  625   2HE   LYS  78          1HE       LYS  78   3.487  24.084  -2.879
  626   1HZ   LYS  78          1HZ       LYS  78   4.795  24.546  -1.031
  627   2HZ   LYS  78          2HZ       LYS  78   5.469  25.527  -2.233
  628   3HZ   LYS  78          3HZ       LYS  78   6.234  24.084  -1.794
  629    H    ARG  79           H        ARG  79   2.832  16.975  -2.248
  630    HA   ARG  79           HA       ARG  79   3.689  17.320   0.422
  631   1HB   ARG  79          2HB       ARG  79   2.332  15.196  -1.137
  632   2HB   ARG  79          1HB       ARG  79   3.141  14.688   0.339
  633   1HG   ARG  79          2HG       ARG  79   1.044  15.138   1.123
  634   2HG   ARG  79          1HG       ARG  79   1.837  16.690   1.394
  635   1HD   ARG  79          2HD       ARG  79   0.843  16.762  -1.234
  636   2HD   ARG  79          1HD       ARG  79  -0.440  16.073  -0.241
  637    HE   ARG  79           HE       ARG  79   0.757  18.439   0.876
  638   1HH1  ARG  79          1HH1      ARG  79  -1.704  17.216  -1.276
  639   2HH1  ARG  79          2HH1      ARG  79  -2.700  18.627  -1.140
  640   1HH2  ARG  79          1HH2      ARG  79  -0.550  20.293   1.056
  641   2HH2  ARG  79          2HH2      ARG  79  -2.045  20.374   0.184
  642    H    LYS  80           H        LYS  80   5.299  16.280  -2.342
  643    HA   LYS  80           HA       LYS  80   7.362  15.452  -2.737
  644   1HB   LYS  80          2HB       LYS  80   7.731  16.109   0.187
  645   2HB   LYS  80          1HB       LYS  80   9.030  15.552  -0.857
  646   1HG   LYS  80          2HG       LYS  80   7.547  18.148  -0.915
  647   2HG   LYS  80          1HG       LYS  80   9.286  17.856  -0.861
  648   1HD   LYS  80          2HD       LYS  80   9.142  16.937  -3.173
  649   2HD   LYS  80          1HD       LYS  80   7.438  17.403  -3.212
  650   1HE   LYS  80          2HE       LYS  80   8.370  19.241  -4.199
  651   2HE   LYS  80          1HE       LYS  80   8.426  19.748  -2.511
  652   1HZ   LYS  80          1HZ       LYS  80  10.723  19.038  -2.400
  653   2HZ   LYS  80          2HZ       LYS  80  10.524  20.153  -3.655
  654   3HZ   LYS  80          3HZ       LYS  80  10.674  18.506  -4.005
  655    H    GLY  81           H        GLY  81   8.341  13.483  -2.824
  656   1HA   GLY  81          2HA       GLY  81   8.788  11.266  -2.169
  657   2HA   GLY  81          1HA       GLY  81   7.645  11.452  -0.845
  658    H    PHE  82           H        PHE  82   5.761  12.672  -2.988
  659    HA   PHE  82           HA       PHE  82   4.163  10.414  -3.401
  660   1HB   PHE  82          2HB       PHE  82   3.396  12.789  -3.444
  661   2HB   PHE  82          1HB       PHE  82   4.182  12.980  -5.007
  662    HD1  PHE  82           1HD      PHE  82   1.306  11.696  -3.233
  663    HD2  PHE  82           2HD      PHE  82   3.331  11.771  -6.972
  664    HE1  PHE  82           1HE      PHE  82  -0.731  10.889  -4.346
  665    HE2  PHE  82           2HE      PHE  82   1.300  10.965  -8.097
  666    HZ   PHE  82           HZ       PHE  82  -0.738  10.519  -6.782
  667    H    SER  83           H        SER  83   6.175  12.209  -5.733
  668    HA   SER  83           HA       SER  83   5.767  10.621  -7.958
  669   1HB   SER  83          2HB       SER  83   8.513  11.678  -7.506
  670   2HB   SER  83          1HB       SER  83   7.492  11.772  -8.940
  671    HG   SER  83           HG       SER  83   6.163  13.252  -7.606
  672    H    GLU  84           H        GLU  84   8.239  10.254  -5.428
  673    HA   GLU  84           HA       GLU  84   9.707   8.167  -6.439
  674   1HB   GLU  84          2HB       GLU  84   8.838   8.511  -3.563
  675   2HB   GLU  84          1HB       GLU  84  10.196   7.541  -4.115
  676   1HG   GLU  84          2HG       GLU  84  11.024   9.773  -5.154
  677   2HG   GLU  84          1HG       GLU  84   9.910  10.507  -4.001
  678    H    GLY  85           H        GLY  85   6.470   8.117  -5.143
  679   1HA   GLY  85          2HA       GLY  85   6.307   5.278  -4.855
  680   2HA   GLY  85          1HA       GLY  85   4.958   6.404  -4.843
  681    H    LEU  86           H        LEU  86   5.670   7.548  -7.451
  682    HA   LEU  86           HA       LEU  86   4.115   5.886  -9.099
  683   1HB   LEU  86          2HB       LEU  86   5.951   8.199  -9.648
  684   2HB   LEU  86          1HB       LEU  86   5.180   7.336 -10.964
  685    HG   LEU  86           HG       LEU  86   3.989   9.407 -10.290
  686   1HD1  LEU  86          1HD1      LEU  86   2.024   8.508 -10.891
  687   2HD1  LEU  86          2HD1      LEU  86   2.043   7.331  -9.577
  688   3HD1  LEU  86          3HD1      LEU  86   2.954   7.018 -11.054
  689   1HD2  LEU  86          1HD2      LEU  86   4.524   9.131  -7.845
  690   2HD2  LEU  86          2HD2      LEU  86   3.255   7.910  -7.788
  691   3HD2  LEU  86          3HD2      LEU  86   2.857   9.574  -8.214
  692    H    TRP  87           H        TRP  87   7.619   6.337  -8.877
  693    HA   TRP  87           HA       TRP  87   8.317   4.628 -11.014
  694   1HB   TRP  87          2HB       TRP  87   9.900   6.247 -10.143
  695   2HB   TRP  87          1HB       TRP  87   9.881   5.475  -8.561
  696    HD1  TRP  87           HD       TRP  87  11.488   5.245 -11.971
  697    HE1  TRP  87           1HE      TRP  87  13.260   3.381 -11.957
  698    HE3  TRP  87           3HE      TRP  87  10.409   3.141  -7.441
  699    HZ2  TRP  87           2HZ      TRP  87  14.086   1.283 -10.250
  700    HZ3  TRP  87           3HZ      TRP  87  11.734   1.208  -6.691
  701    HH2  TRP  87           HH       TRP  87  13.533   0.299  -8.068
  702    H    GLU  88           H        GLU  88   8.064   4.034  -7.503
  703    HA   GLU  88           HA       GLU  88   8.976   1.382  -7.558
  704   1HB   GLU  88          2HB       GLU  88   7.108   2.762  -5.625
  705   2HB   GLU  88          1HB       GLU  88   7.824   1.179  -5.354
  706   1HG   GLU  88          2HG       GLU  88  10.075   2.346  -5.663
  707   2HG   GLU  88          1HG       GLU  88   9.174   3.850  -5.470
  708    H    ILE  89           H        ILE  89   5.614   2.610  -7.554
  709    HA   ILE  89           HA       ILE  89   4.297   0.189  -7.556
  710    HB   ILE  89           HB       ILE  89   3.209   2.400  -7.359
  711   1HG1  ILE  89          2HG1      ILE  89   1.488   1.513  -9.427
  712   2HG1  ILE  89          1HG1      ILE  89   2.242   0.080  -8.729
  713   1HG2  ILE  89          1HG2      ILE  89   2.482   3.370  -9.663
  714   2HG2  ILE  89          2HG2      ILE  89   3.946   2.573 -10.241
  715   3HG2  ILE  89          3HG2      ILE  89   4.049   3.793  -8.972
  716   1HD1  ILE  89          1HD1      ILE  89   0.182   1.782  -7.661
  717   2HD1  ILE  89          2HD1      ILE  89   1.542   1.631  -6.546
  718   3HD1  ILE  89          3HD1      ILE  89   0.716   0.185  -7.134
  719    H    GLU  90           H        GLU  90   6.050   1.702 -10.146
  720    HA   GLU  90           HA       GLU  90   5.002  -0.221 -12.086
  721   1HB   GLU  90          2HB       GLU  90   6.407   2.396 -12.290
  722   2HB   GLU  90          1HB       GLU  90   6.578   1.254 -13.615
  723   1HG   GLU  90          2HG       GLU  90   4.002   1.131 -13.536
  724   2HG   GLU  90          1HG       GLU  90   4.122   2.634 -12.621
  725    H    ASN  91           H        ASN  91   8.125   0.863 -10.761
  726    HA   ASN  91           HA       ASN  91   9.576  -1.125 -12.247
  727   1HB   ASN  91          2HB       ASN  91  10.225   1.199 -10.659
  728   2HB   ASN  91          1HB       ASN  91  11.249  -0.161 -10.215
  729   1HD2  ASN  91          1HD2      ASN  91  10.072   1.681 -12.986
  730   2HD2  ASN  91          2HD2      ASN  91  11.487   1.468 -13.953
  731    H    ASN  92           H        ASN  92   8.291  -0.851  -8.996
  732    HA   ASN  92           HA       ASN  92   8.761  -3.670  -8.592
  733   1HB   ASN  92          2HB       ASN  92  10.874  -2.492  -7.839
  734   2HB   ASN  92          1HB       ASN  92   9.907  -1.738  -6.576
  735   1HD2  ASN  92          1HD2      ASN  92  12.109  -3.363  -6.070
  736   2HD2  ASN  92          2HD2      ASN  92  11.568  -4.797  -5.274
  737    HA   PRO  93           HA       PRO  93   4.860  -2.231  -6.669
  738   1HB   PRO  93          2HB       PRO  93   3.350  -4.306  -7.469
  739   2HB   PRO  93          1HB       PRO  93   3.724  -2.952  -8.543
  740   1HG   PRO  93          2HG       PRO  93   4.986  -5.664  -8.401
  741   2HG   PRO  93          1HG       PRO  93   4.516  -4.722  -9.828
  742   1HD   PRO  93          2HD       PRO  93   7.077  -4.858  -8.891
  743   2HD   PRO  93          1HD       PRO  93   6.434  -3.463  -9.781
  744    H    THR  94           H        THR  94   6.836  -5.017  -6.301
  745    HA   THR  94           HA       THR  94   5.325  -5.871  -3.932
  746    HB   THR  94           HB       THR  94   6.726  -7.936  -4.073
  747    HG1  THR  94           1HG      THR  94   8.404  -6.823  -5.344
  748   1HG2  THR  94          1HG2      THR  94   4.537  -7.279  -5.632
  749   2HG2  THR  94          2HG2      THR  94   5.186  -8.893  -5.339
  750   3HG2  THR  94          3HG2      THR  94   5.693  -7.984  -6.764
  751    H    VAL  95           H        VAL  95   7.516  -3.654  -4.403
  752    HA   VAL  95           HA       VAL  95   9.752  -4.365  -2.861
  753    HB   VAL  95           HB       VAL  95   9.705  -2.404  -4.349
  754   1HG1  VAL  95          1HG1      VAL  95   8.589  -0.430  -2.672
  755   2HG1  VAL  95          2HG1      VAL  95   7.405  -1.730  -2.797
  756   3HG1  VAL  95          3HG1      VAL  95   8.025  -0.959  -4.257
  757   1HG2  VAL  95          1HG2      VAL  95  10.265  -1.377  -1.593
  758   2HG2  VAL  95          2HG2      VAL  95  11.165  -1.116  -3.087
  759   3HG2  VAL  95          3HG2      VAL  95  11.233  -2.682  -2.279
  760    H    LYS  96           H        LYS  96  10.316  -3.876  -0.725
  761    HA   LYS  96           HA       LYS  96   8.258  -2.920   1.091
  762   1HB   LYS  96          2HB       LYS  96   9.087  -5.736   0.883
  763   2HB   LYS  96          1HB       LYS  96   9.118  -5.087   2.517
  764   1HG   LYS  96          2HG       LYS  96   6.819  -4.604   2.484
  765   2HG   LYS  96          1HG       LYS  96   6.720  -4.804   0.734
  766   1HD   LYS  96          2HD       LYS  96   7.693  -7.237   1.606
  767   2HD   LYS  96          1HD       LYS  96   6.531  -6.789   2.855
  768   1HE   LYS  96          2HE       LYS  96   4.872  -7.419   1.524
  769   2HE   LYS  96          1HE       LYS  96   5.355  -6.194   0.351
  770   1HZ   LYS  96          1HZ       LYS  96   5.285  -8.436  -0.599
  771   2HZ   LYS  96          2HZ       LYS  96   6.473  -8.941   0.493
  772   3HZ   LYS  96          3HZ       LYS  96   6.839  -7.770  -0.671
  773    H    ALA  97           H        ALA  97   9.058  -2.030   2.966
  774    HA   ALA  97           HA       ALA  97  11.934  -1.557   2.982
  775   1HB   ALA  97          1HB       ALA  97   9.727   0.043   3.529
  776   2HB   ALA  97          2HB       ALA  97  11.423   0.454   3.784
  777   3HB   ALA  97          3HB       ALA  97  10.476  -0.237   5.101
  778    H    SER  98           H        SER  98  13.039  -3.164   3.937
  779    HA   SER  98           HA       SER  98  11.991  -4.546   6.249
  780   1HB   SER  98          2HB       SER  98  13.504  -5.457   4.276
  781   2HB   SER  98          1HB       SER  98  14.810  -4.906   5.325
  782    HG   SER  98           HG       SER  98  13.669  -6.172   7.009
  783    H    GLY  99           H        GLY  99  12.644  -4.345   8.337
  784   1HA   GLY  99          2HA       GLY  99  14.894  -2.575   8.954
  785   2HA   GLY  99          1HA       GLY  99  13.315  -2.141   9.590
  786    H    TYR 100           H        TYR 100  15.929  -3.022  10.848
  787    HA   TYR 100           HA       TYR 100  14.771  -5.152  12.522
  788   1HB   TYR 100          2HB       TYR 100  17.626  -4.847  11.583
  789   2HB   TYR 100          1HB       TYR 100  17.147  -5.930  12.886
  790    HD1  TYR 100           1HD      TYR 100  16.063  -8.009  12.430
  791    HD2  TYR 100           2HD      TYR 100  16.880  -5.281   9.272
  792    HE1  TYR 100           1HE      TYR 100  15.557  -9.766  10.789
  793    HE2  TYR 100           2HE      TYR 100  16.376  -7.028   7.622
  794    HH   TYR 100           HH       TYR 100  16.460  -9.951   7.951
  795    H    GLN 101           H        GLN 101  15.370  -5.135  14.742
  796    HA   GLN 101           HA       GLN 101  16.618  -2.657  15.701
  797   1HB   GLN 101          2HB       GLN 101  13.856  -3.554  16.127
  798   2HB   GLN 101          1HB       GLN 101  14.701  -3.137  17.610
  799   1HG   GLN 101          2HG       GLN 101  14.065  -1.052  17.183
  800   2HG   GLN 101          1HG       GLN 101  15.348  -1.048  15.974
  801   1HE2  GLN 101          1HE2      GLN 101  13.475   0.678  15.476
  802   2HE2  GLN 101          2HE2      GLN 101  12.386   0.147  14.244
  803    H    SER 102           H        SER 102  15.428  -5.885  16.586
  804    HA   SER 102           HA       SER 102  17.796  -6.197  18.297
  805   1HB   SER 102          2HB       SER 102  15.478  -5.737  19.488
  806   2HB   SER 102          1HB       SER 102  15.224  -7.451  19.164
  807    HG   SER 102           HG       SER 102  16.205  -7.154  21.185
  808    H    SER 103           H        SER 103  18.900  -7.584  17.011
  809    HA   SER 103           HA       SER 103  17.508  -9.959  15.996
  810   1HB   SER 103          2HB       SER 103  19.876  -8.404  15.121
  811   2HB   SER 103          1HB       SER 103  19.960 -10.150  14.886
  812    HG   SER 103           HG       SER 103  18.327 -10.062  13.490
  813    H    GLN 104           H        GLN 104  20.737  -9.221  17.332
  814    HA   GLN 104           HA       GLN 104  20.503 -11.276  19.321
  815   1HB   GLN 104          2HB       GLN 104  21.210 -12.279  16.939
  816   2HB   GLN 104          1HB       GLN 104  22.797 -11.777  17.503
  817   1HG   GLN 104          2HG       GLN 104  22.954 -13.554  18.804
  818   2HG   GLN 104          1HG       GLN 104  21.434 -13.158  19.601
  819   1HE2  GLN 104          1HE2      GLN 104  23.013 -15.139  17.293
  820   2HE2  GLN 104          2HE2      GLN 104  21.657 -16.125  16.877
  821    H    LYS 105           H        LYS 105  21.360 -10.278  21.014
  822    HA   LYS 105           HA       LYS 105  24.035  -9.138  20.789
  823   1HB   LYS 105          2HB       LYS 105  23.360  -7.090  21.999
  824   2HB   LYS 105          1HB       LYS 105  22.607  -7.216  20.415
  825   1HG   LYS 105          2HG       LYS 105  20.554  -8.060  21.502
  826   2HG   LYS 105          1HG       LYS 105  21.317  -7.804  23.072
  827   1HD   LYS 105          2HD       LYS 105  20.770  -5.647  23.042
  828   2HD   LYS 105          1HD       LYS 105  21.546  -5.429  21.472
  829   1HE   LYS 105          2HE       LYS 105  18.849  -6.708  21.636
  830   2HE   LYS 105          1HE       LYS 105  18.996  -4.954  21.751
  831   1HZ   LYS 105          1HZ       LYS 105  19.343  -6.690  19.463
  832   2HZ   LYS 105          2HZ       LYS 105  20.518  -5.483  19.613
  833   3HZ   LYS 105          3HZ       LYS 105  18.882  -5.063  19.530
  834    H    LYS 106           H        LYS 106  25.068  -8.803  22.868
  835    HA   LYS 106           HA       LYS 106  24.331 -10.871  24.741
  836   1HB   LYS 106          2HB       LYS 106  26.711  -9.344  24.095
  837   2HB   LYS 106          1HB       LYS 106  26.451  -9.409  25.834
  838   1HG   LYS 106          2HG       LYS 106  26.895 -11.614  25.956
  839   2HG   LYS 106          1HG       LYS 106  26.154 -11.962  24.393
  840   1HD   LYS 106          2HD       LYS 106  28.500 -10.339  24.037
  841   2HD   LYS 106          1HD       LYS 106  28.892 -11.768  24.994
  842   1HE   LYS 106          2HE       LYS 106  28.606 -13.158  23.253
  843   2HE   LYS 106          1HE       LYS 106  27.177 -12.301  22.680
  844   1HZ   LYS 106          1HZ       LYS 106  29.074 -10.537  22.091
  845   2HZ   LYS 106          2HZ       LYS 106  28.561 -11.737  21.016
  846   3HZ   LYS 106          3HZ       LYS 106  29.963 -11.968  21.932
  847    H    SER 107           H        SER 107  23.139 -10.603  26.504
  848    HA   SER 107           HA       SER 107  23.158  -8.080  27.941
  849   1HB   SER 107          2HB       SER 107  20.681  -9.202  26.629
  850   2HB   SER 107          1HB       SER 107  20.611  -8.062  27.972
  851    HG   SER 107           HG       SER 107  21.084  -7.592  25.357
  852    H    CYS 108           H        CYS 108  22.784  -8.317  30.095
  853    HA   CYS 108           HA       CYS 108  21.687 -10.840  31.079
  854   1HB   CYS 108          2HB       CYS 108  24.429  -9.772  31.738
  855   2HB   CYS 108          1HB       CYS 108  23.591 -10.918  32.777
  856    HG   CYS 108           HG       CYS 108  25.033 -11.588  30.204
  857    H    ALA 109           H        ALA 109  23.209  -7.810  32.189
  858    HA   ALA 109           HA       ALA 109  22.590  -6.280  33.756
  859   1HB   ALA 109          1HB       ALA 109  19.978  -6.278  34.169
  860   2HB   ALA 109          2HB       ALA 109  19.993  -7.282  32.718
  861   3HB   ALA 109          3HB       ALA 109  20.680  -5.658  32.675
  862    H    GLU 110           H        GLU 110  21.538  -6.023  35.951
  863    HA   GLU 110           HA       GLU 110  21.910  -8.520  37.444
  864   1HB   GLU 110          2HB       GLU 110  22.446  -5.678  37.983
  865   2HB   GLU 110          1HB       GLU 110  21.752  -6.555  39.340
  866   1HG   GLU 110          2HG       GLU 110  23.833  -8.119  38.161
  867   2HG   GLU 110          1HG       GLU 110  24.429  -6.495  38.495
  Start of MODEL    8
    1   1H    MET   1          1HT       MET   1 -25.103   8.114 -11.493
    2   2H    MET   1          2HT       MET   1 -26.240   7.000 -12.132
    3   3H    MET   1          3HT       MET   1 -24.731   6.442 -11.538
    4    HA   MET   1           HA       MET   1 -25.276   6.821  -9.373
    5   1HB   MET   1          2HB       MET   1 -27.333   8.109  -8.764
    6   2HB   MET   1          1HB       MET   1 -26.107   9.062  -9.586
    7   1HG   MET   1          2HG       MET   1 -27.460   8.504 -11.721
    8   2HG   MET   1          1HG       MET   1 -28.755   8.119 -10.590
    9   1HE   MET   1          1HE       MET   1 -30.383  11.431 -11.076
   10   2HE   MET   1          2HE       MET   1 -30.544   9.771 -10.501
   11   3HE   MET   1          3HE       MET   1 -30.035  10.085 -12.162
   12    H    SER   2           H        SER   2 -27.992   6.429 -11.657
   13    HA   SER   2           HA       SER   2 -29.364   4.528 -10.064
   14   1HB   SER   2          2HB       SER   2 -30.586   4.047 -12.251
   15   2HB   SER   2          1HB       SER   2 -30.654   5.711 -11.672
   16    HG   SER   2           HG       SER   2 -29.531   4.694 -13.947
   17    H    ARG   3           H        ARG   3 -27.788   2.981  -9.478
   18    HA   ARG   3           HA       ARG   3 -26.682   0.999  -9.641
   19   1HB   ARG   3          2HB       ARG   3 -28.966   0.477 -10.767
   20   2HB   ARG   3          1HB       ARG   3 -28.045   0.485 -12.266
   21   1HG   ARG   3          2HG       ARG   3 -26.624  -1.292 -11.438
   22   2HG   ARG   3          1HG       ARG   3 -27.466  -1.268  -9.887
   23   1HD   ARG   3          2HD       ARG   3 -29.452  -2.099 -10.837
   24   2HD   ARG   3          1HD       ARG   3 -28.905  -1.760 -12.477
   25    HE   ARG   3           HE       ARG   3 -27.772  -3.752 -12.483
   26   1HH1  ARG   3          1HH1      ARG   3 -28.709  -2.985  -9.209
   27   2HH1  ARG   3          2HH1      ARG   3 -28.247  -4.532  -8.582
   28   1HH2  ARG   3          1HH2      ARG   3 -27.165  -5.787 -11.659
   29   2HH2  ARG   3          2HH2      ARG   3 -27.371  -6.122  -9.973
   30    H    SER   4           H        SER   4 -24.629   1.854  -9.941
   31    HA   SER   4           HA       SER   4 -23.598   1.610 -12.679
   32   1HB   SER   4          2HB       SER   4 -22.277   3.614 -12.463
   33   2HB   SER   4          1HB       SER   4 -23.950   4.025 -12.085
   34    HG   SER   4           HG       SER   4 -23.117   4.799 -10.319
   35    H    ASN   5           H        ASN   5 -23.533  -0.177 -10.361
   36    HA   ASN   5           HA       ASN   5 -20.611  -0.384 -10.089
   37   1HB   ASN   5          2HB       ASN   5 -22.659  -0.253  -7.980
   38   2HB   ASN   5          1HB       ASN   5 -21.515  -1.580  -7.798
   39   1HD2  ASN   5          1HD2      ASN   5 -22.065   1.307  -6.661
   40   2HD2  ASN   5          2HD2      ASN   5 -20.462   1.925  -6.476
   41    H    ARG   6           H        ARG   6 -20.157  -2.049 -11.402
   42    HA   ARG   6           HA       ARG   6 -21.927  -4.303 -11.674
   43   1HB   ARG   6          2HB       ARG   6 -19.113  -4.023 -12.731
   44   2HB   ARG   6          1HB       ARG   6 -20.355  -5.131 -13.296
   45   1HG   ARG   6          2HG       ARG   6 -21.277  -3.599 -14.627
   46   2HG   ARG   6          1HG       ARG   6 -21.166  -2.333 -13.403
   47   1HD   ARG   6          2HD       ARG   6 -18.580  -2.539 -14.006
   48   2HD   ARG   6          1HD       ARG   6 -19.253  -3.096 -15.537
   49    HE   ARG   6           HE       ARG   6 -20.021  -0.967 -15.956
   50   1HH1  ARG   6          1HH1      ARG   6 -18.895  -1.169 -12.655
   51   2HH1  ARG   6          2HH1      ARG   6 -18.966   0.541 -12.397
   52   1HH2  ARG   6          1HH2      ARG   6 -20.111   1.279 -15.614
   53   2HH2  ARG   6          2HH2      ARG   6 -19.655   1.931 -14.076
   54    H    GLN   7           H        GLN   7 -18.436  -4.269 -10.952
   55    HA   GLN   7           HA       GLN   7 -18.894  -6.041  -8.682
   56   1HB   GLN   7          2HB       GLN   7 -17.266  -6.753 -11.114
   57   2HB   GLN   7          1HB       GLN   7 -16.992  -7.518  -9.554
   58   1HG   GLN   7          2HG       GLN   7 -18.935  -8.698  -9.632
   59   2HG   GLN   7          1HG       GLN   7 -19.762  -7.489 -10.611
   60   1HE2  GLN   7          1HE2      GLN   7 -20.367  -9.686 -11.590
   61   2HE2  GLN   7          2HE2      GLN   7 -19.389 -10.208 -12.915
   62    H    LYS   8           H        LYS   8 -17.199  -6.092  -7.180
   63    HA   LYS   8           HA       LYS   8 -14.895  -4.369  -7.669
   64   1HB   LYS   8          2HB       LYS   8 -16.942  -3.172  -6.516
   65   2HB   LYS   8          1HB       LYS   8 -16.365  -4.013  -5.087
   66   1HG   LYS   8          2HG       LYS   8 -14.058  -2.958  -5.829
   67   2HG   LYS   8          1HG       LYS   8 -15.120  -1.800  -6.625
   68   1HD   LYS   8          2HD       LYS   8 -14.433  -1.097  -4.352
   69   2HD   LYS   8          1HD       LYS   8 -16.180  -1.252  -4.529
   70   1HE   LYS   8          2HE       LYS   8 -15.909  -3.581  -3.537
   71   2HE   LYS   8          1HE       LYS   8 -14.268  -3.097  -3.120
   72   1HZ   LYS   8          1HZ       LYS   8 -15.219  -2.372  -1.247
   73   2HZ   LYS   8          2HZ       LYS   8 -16.775  -2.345  -1.909
   74   3HZ   LYS   8          3HZ       LYS   8 -15.723  -1.046  -2.171
   75    H    GLU   9           H        GLU   9 -14.376  -4.439  -4.704
   76    HA   GLU   9           HA       GLU   9 -13.566  -5.819  -3.057
   77   1HB   GLU   9          2HB       GLU   9 -13.907  -8.153  -4.950
   78   2HB   GLU   9          1HB       GLU   9 -13.584  -8.222  -3.224
   79   1HG   GLU   9          2HG       GLU   9 -15.745  -7.504  -2.675
   80   2HG   GLU   9          1HG       GLU   9 -16.073  -6.960  -4.318
   81    H    TYR  10           H        TYR  10 -11.463  -5.889  -2.621
   82    HA   TYR  10           HA       TYR  10  -9.602  -6.141  -4.896
   83   1HB   TYR  10          2HB       TYR  10  -9.144  -4.674  -2.290
   84   2HB   TYR  10          1HB       TYR  10  -8.081  -4.685  -3.696
   85    HD1  TYR  10           1HD      TYR  10 -11.597  -3.833  -2.767
   86    HD2  TYR  10           2HD      TYR  10  -8.229  -2.940  -5.204
   87    HE1  TYR  10           1HE      TYR  10 -12.787  -1.887  -3.684
   88    HE2  TYR  10           2HE      TYR  10  -9.405  -0.986  -6.123
   89    HH   TYR  10           HH       TYR  10 -12.714  -0.486  -5.741
   90    H    LYS  11           H        LYS  11  -7.492  -7.094  -4.427
   91    HA   LYS  11           HA       LYS  11  -7.489  -8.910  -2.125
   92   1HB   LYS  11          2HB       LYS  11  -7.229  -9.627  -5.023
   93   2HB   LYS  11          1HB       LYS  11  -6.411 -10.596  -3.806
   94   1HG   LYS  11          2HG       LYS  11  -8.385 -11.733  -4.029
   95   2HG   LYS  11          1HG       LYS  11  -8.764 -10.658  -2.682
   96   1HD   LYS  11          2HD       LYS  11 -10.110  -9.295  -3.979
   97   2HD   LYS  11          1HD       LYS  11  -9.327  -9.781  -5.483
   98   1HE   LYS  11          2HE       LYS  11 -10.340 -12.036  -5.208
   99   2HE   LYS  11          1HE       LYS  11 -11.213 -11.427  -3.803
  100   1HZ   LYS  11          1HZ       LYS  11 -11.494 -10.531  -6.616
  101   2HZ   LYS  11          2HZ       LYS  11 -12.196  -9.725  -5.306
  102   3HZ   LYS  11          3HZ       LYS  11 -12.656 -11.312  -5.666
  103    H    CYS  12           H        CYS  12  -5.353  -9.803  -1.636
  104    HA   CYS  12           HA       CYS  12  -3.390  -7.883  -1.379
  105   1HB   CYS  12          2HB       CYS  12  -3.628 -10.154  -0.200
  106   2HB   CYS  12          1HB       CYS  12  -2.739 -10.818  -1.566
  107    HG   CYS  12           HG       CYS  12  -0.680 -10.099  -0.479
  108    H    GLY  13           H        GLY  13  -1.849  -7.048  -2.687
  109   1HA   GLY  13          2HA       GLY  13  -0.122  -7.253  -4.321
  110   2HA   GLY  13          1HA       GLY  13  -1.012  -8.584  -5.043
  111    H    ASP  14           H        ASP  14  -3.465  -6.658  -4.625
  112    HA   ASP  14           HA       ASP  14  -3.502  -5.739  -7.315
  113   1HB   ASP  14          2HB       ASP  14  -5.341  -5.706  -5.006
  114   2HB   ASP  14          1HB       ASP  14  -5.557  -4.387  -6.153
  115    H    LEU  15           H        LEU  15  -3.161  -3.735  -8.163
  116    HA   LEU  15           HA       LEU  15  -1.843  -1.797  -6.428
  117   1HB   LEU  15          2HB       LEU  15  -2.161  -1.847  -9.432
  118   2HB   LEU  15          1HB       LEU  15  -1.223  -0.668  -8.534
  119    HG   LEU  15           HG       LEU  15  -0.637  -3.629  -8.608
  120   1HD1  LEU  15          1HD1      LEU  15   0.517  -1.317 -10.143
  121   2HD1  LEU  15          2HD1      LEU  15  -0.178  -2.811 -10.772
  122   3HD1  LEU  15          3HD1      LEU  15   1.371  -2.845  -9.929
  123   1HD2  LEU  15          1HD2      LEU  15   0.044  -2.275  -6.565
  124   2HD2  LEU  15          2HD2      LEU  15   1.150  -1.417  -7.638
  125   3HD2  LEU  15          3HD2      LEU  15   1.322  -3.156  -7.401
  126    H    VAL  16           H        VAL  16  -2.957  -0.199  -5.556
  127    HA   VAL  16           HA       VAL  16  -5.149   0.999  -7.079
  128    HB   VAL  16           HB       VAL  16  -6.564   1.085  -5.042
  129   1HG1  VAL  16          1HG1      VAL  16  -6.751  -0.659  -6.862
  130   2HG1  VAL  16          2HG1      VAL  16  -7.456  -1.085  -5.304
  131   3HG1  VAL  16          3HG1      VAL  16  -5.895  -1.754  -5.775
  132   1HG2  VAL  16          1HG2      VAL  16  -6.044  -0.532  -3.225
  133   2HG2  VAL  16          2HG2      VAL  16  -4.905   0.810  -3.328
  134   3HG2  VAL  16          3HG2      VAL  16  -4.457  -0.777  -3.955
  135    H    PHE  17           H        PHE  17  -6.054   2.922  -5.769
  136    HA   PHE  17           HA       PHE  17  -3.771   4.492  -4.748
  137   1HB   PHE  17          2HB       PHE  17  -6.074   5.206  -6.522
  138   2HB   PHE  17          1HB       PHE  17  -5.401   6.443  -5.468
  139    HD1  PHE  17           1HD      PHE  17  -2.690   6.410  -5.525
  140    HD2  PHE  17           2HD      PHE  17  -5.291   5.190  -8.656
  141    HE1  PHE  17           1HE      PHE  17  -0.906   6.828  -7.162
  142    HE2  PHE  17           2HE      PHE  17  -3.519   5.605 -10.300
  143    HZ   PHE  17           HZ       PHE  17  -1.317   6.427  -9.559
  144    H    ALA  18           H        ALA  18  -4.000   5.503  -2.786
  145    HA   ALA  18           HA       ALA  18  -6.560   5.088  -1.401
  146   1HB   ALA  18          1HB       ALA  18  -3.862   4.443  -0.652
  147   2HB   ALA  18          2HB       ALA  18  -5.380   4.013   0.140
  148   3HB   ALA  18          3HB       ALA  18  -4.582   5.538   0.527
  149    H    LYS  19           H        LYS  19  -7.659   6.832  -0.825
  150    HA   LYS  19           HA       LYS  19  -6.386   9.440  -1.037
  151   1HB   LYS  19          2HB       LYS  19  -8.569   9.034  -2.145
  152   2HB   LYS  19          1HB       LYS  19  -9.292   8.759  -0.567
  153   1HG   LYS  19          2HG       LYS  19  -9.853  10.953  -1.018
  154   2HG   LYS  19          1HG       LYS  19  -8.418  11.118  -0.003
  155   1HD   LYS  19          2HD       LYS  19  -7.036  11.425  -1.989
  156   2HD   LYS  19          1HD       LYS  19  -8.455  11.222  -3.020
  157   1HE   LYS  19          2HE       LYS  19  -8.506  13.314  -0.899
  158   2HE   LYS  19          1HE       LYS  19  -7.570  13.615  -2.362
  159   1HZ   LYS  19          1HZ       LYS  19  -9.581  13.155  -3.662
  160   2HZ   LYS  19          2HZ       LYS  19  -9.792  14.466  -2.614
  161   3HZ   LYS  19          3HZ       LYS  19 -10.464  12.962  -2.232
  162    H    MET  20           H        MET  20  -5.929  10.735   0.617
  163    HA   MET  20           HA       MET  20  -6.894   9.985   3.296
  164   1HB   MET  20          2HB       MET  20  -4.119  10.974   2.616
  165   2HB   MET  20          1HB       MET  20  -4.712  10.598   4.227
  166   1HG   MET  20          2HG       MET  20  -4.927   8.433   2.246
  167   2HG   MET  20          1HG       MET  20  -3.291   8.902   2.705
  168   1HE   MET  20          1HE       MET  20  -2.689   6.752   5.556
  169   2HE   MET  20          2HE       MET  20  -2.296   8.456   5.328
  170   3HE   MET  20          3HE       MET  20  -2.245   7.348   3.957
  171    H    LYS  21           H        LYS  21  -7.175  11.712   4.774
  172    HA   LYS  21           HA       LYS  21  -8.128  14.109   3.616
  173   1HB   LYS  21          2HB       LYS  21  -8.019  12.901   6.256
  174   2HB   LYS  21          1HB       LYS  21  -7.741  14.635   6.328
  175   1HG   LYS  21          2HG       LYS  21  -9.890  14.405   4.617
  176   2HG   LYS  21          1HG       LYS  21 -10.187  13.157   5.827
  177   1HD   LYS  21          2HD       LYS  21 -10.985  14.759   7.155
  178   2HD   LYS  21          1HD       LYS  21  -9.337  15.377   7.284
  179   1HE   LYS  21          2HE       LYS  21  -9.752  16.745   5.254
  180   2HE   LYS  21          1HE       LYS  21 -11.427  16.197   5.269
  181   1HZ   LYS  21          1HZ       LYS  21 -11.005  17.125   7.799
  182   2HZ   LYS  21          2HZ       LYS  21 -11.813  17.948   6.562
  183   3HZ   LYS  21          3HZ       LYS  21 -10.168  18.234   6.832
  184    H    GLY  22           H        GLY  22  -6.934  15.727   2.847
  185   1HA   GLY  22          2HA       GLY  22  -5.457  17.560   3.218
  186   2HA   GLY  22          1HA       GLY  22  -4.573  16.575   4.373
  187    H    TYR  23           H        TYR  23  -4.835  14.357   2.184
  188    HA   TYR  23           HA       TYR  23  -2.704  15.366   0.414
  189   1HB   TYR  23          2HB       TYR  23  -2.667  12.513   1.335
  190   2HB   TYR  23          1HB       TYR  23  -1.341  13.512   0.751
  191    HD1  TYR  23           1HD      TYR  23  -0.691  15.528   2.310
  192    HD2  TYR  23           2HD      TYR  23  -2.851  12.098   3.602
  193    HE1  TYR  23           1HE      TYR  23  -0.021  15.987   4.631
  194    HE2  TYR  23           2HE      TYR  23  -2.189  12.546   5.925
  195    HH   TYR  23           HH       TYR  23  -0.926  15.451   6.950
  196    HA   PRO  24           HA       PRO  24  -5.167  13.552  -2.768
  197   1HB   PRO  24          2HB       PRO  24  -3.400  13.430  -4.777
  198   2HB   PRO  24          1HB       PRO  24  -3.965  14.977  -4.135
  199   1HG   PRO  24          2HG       PRO  24  -1.395  13.540  -3.631
  200   2HG   PRO  24          1HG       PRO  24  -1.687  15.274  -3.857
  201   1HD   PRO  24          2HD       PRO  24  -1.361  14.032  -1.406
  202   2HD   PRO  24          1HD       PRO  24  -2.174  15.589  -1.652
  203    H    HIS  25           H        HIS  25  -5.288  11.710  -4.292
  204    HA   HIS  25           HA       HIS  25  -4.988   9.253  -3.126
  205   1HB   HIS  25          2HB       HIS  25  -4.798   9.798  -6.096
  206   2HB   HIS  25          1HB       HIS  25  -5.281   8.286  -5.338
  207    HD1  HIS  25           1HD      HIS  25  -6.498  11.801  -5.922
  208    HD2  HIS  25           2HD      HIS  25  -7.936   8.135  -4.598
  209    HE1  HIS  25           1HE      HIS  25  -8.994  12.070  -5.778
  210    HE2  HIS  25           2HE      HIS  25  -9.833   9.872  -4.875
  211    H    TRP  26           H        TRP  26  -3.195   8.252  -2.414
  212    HA   TRP  26           HA       TRP  26  -0.636   8.772  -3.736
  213   1HB   TRP  26          2HB       TRP  26  -1.156   8.889  -1.150
  214   2HB   TRP  26          1HB       TRP  26  -0.869   7.155  -1.236
  215    HD1  TRP  26           HD       TRP  26   1.647   6.422  -2.171
  216    HE1  TRP  26           1HE      TRP  26   3.911   7.600  -1.797
  217    HE3  TRP  26           3HE      TRP  26  -0.048  11.064  -0.859
  218    HZ2  TRP  26           2HZ      TRP  26   4.840  10.163  -1.049
  219    HZ3  TRP  26           3HZ      TRP  26   1.577  12.813  -0.334
  220    HH2  TRP  26           HH       TRP  26   3.960  12.375  -0.425
  221    HA   PRO  27           HA       PRO  27  -0.758   4.871  -5.912
  222   1HB   PRO  27          2HB       PRO  27   2.023   4.562  -5.983
  223   2HB   PRO  27          1HB       PRO  27   1.047   5.389  -7.199
  224   1HG   PRO  27          2HG       PRO  27   2.624   6.524  -4.938
  225   2HG   PRO  27          1HG       PRO  27   2.374   7.168  -6.571
  226   1HD   PRO  27          2HD       PRO  27   1.078   8.185  -4.460
  227   2HD   PRO  27          1HD       PRO  27   0.282   8.033  -6.042
  228    H    ALA  28           H        ALA  28  -1.288   3.080  -4.836
  229    HA   ALA  28           HA       ALA  28   0.601   2.008  -2.878
  230   1HB   ALA  28          1HB       ALA  28  -2.096   1.720  -1.910
  231   2HB   ALA  28          2HB       ALA  28  -1.669   3.417  -2.134
  232   3HB   ALA  28          3HB       ALA  28  -0.675   2.385  -1.104
  233    H    ARG  29           H        ARG  29  -0.300  -0.156  -2.004
  234    HA   ARG  29           HA       ARG  29  -1.755  -1.672  -4.037
  235   1HB   ARG  29          2HB       ARG  29   0.689  -1.877  -4.531
  236   2HB   ARG  29          1HB       ARG  29   0.911  -2.581  -2.934
  237   1HG   ARG  29          2HG       ARG  29  -0.798  -4.333  -3.665
  238   2HG   ARG  29          1HG       ARG  29  -0.535  -3.724  -5.298
  239   1HD   ARG  29          2HD       ARG  29   2.020  -4.073  -4.303
  240   2HD   ARG  29          1HD       ARG  29   1.126  -5.447  -3.655
  241    HE   ARG  29           HE       ARG  29   0.894  -4.877  -6.511
  242   1HH1  ARG  29          1HH1      ARG  29   2.206  -6.894  -3.973
  243   2HH1  ARG  29          2HH1      ARG  29   2.588  -8.198  -5.044
  244   1HH2  ARG  29          1HH2      ARG  29   1.403  -6.593  -7.910
  245   2HH2  ARG  29          2HH2      ARG  29   2.136  -8.028  -7.275
  246    H    ILE  30           H        ILE  30  -2.583  -3.722  -3.229
  247    HA   ILE  30           HA       ILE  30  -3.323  -3.561  -0.441
  248    HB   ILE  30           HB       ILE  30  -3.910  -5.818  -2.359
  249   1HG1  ILE  30          2HG1      ILE  30  -4.635  -3.658  -3.315
  250   2HG1  ILE  30          1HG1      ILE  30  -6.004  -4.681  -2.888
  251   1HG2  ILE  30          1HG2      ILE  30  -4.757  -5.098   0.366
  252   2HG2  ILE  30          2HG2      ILE  30  -4.656  -6.676  -0.415
  253   3HG2  ILE  30          3HG2      ILE  30  -6.043  -5.629  -0.717
  254   1HD1  ILE  30          1HD1      ILE  30  -6.609  -2.550  -2.176
  255   2HD1  ILE  30          2HD1      ILE  30  -5.009  -2.215  -1.516
  256   3HD1  ILE  30          3HD1      ILE  30  -6.075  -3.363  -0.705
  257    H    ASP  31           H        ASP  31  -2.554  -4.825   1.221
  258    HA   ASP  31           HA       ASP  31  -0.459  -6.770   0.529
  259   1HB   ASP  31          2HB       ASP  31  -0.393  -4.462   2.333
  260   2HB   ASP  31          1HB       ASP  31   0.204  -5.948   3.066
  261    H    GLU  32           H        GLU  32  -3.329  -6.159   2.357
  262    HA   GLU  32           HA       GLU  32  -3.492  -8.919   3.096
  263   1HB   GLU  32          2HB       GLU  32  -1.997  -7.936   4.864
  264   2HB   GLU  32          1HB       GLU  32  -3.348  -6.923   5.353
  265   1HG   GLU  32          2HG       GLU  32  -4.484  -8.646   6.300
  266   2HG   GLU  32          1HG       GLU  32  -3.808  -9.845   5.198
  267    H    MET  33           H        MET  33  -5.541  -9.530   3.877
  268    HA   MET  33           HA       MET  33  -7.640  -7.604   3.232
  269   1HB   MET  33          2HB       MET  33  -7.754 -10.589   3.703
  270   2HB   MET  33          1HB       MET  33  -9.135  -9.588   3.277
  271   1HG   MET  33          2HG       MET  33  -6.691  -9.749   1.549
  272   2HG   MET  33          1HG       MET  33  -8.019 -10.899   1.412
  273   1HE   MET  33          1HE       MET  33  -6.736  -7.907  -0.516
  274   2HE   MET  33          2HE       MET  33  -6.756  -7.386   1.169
  275   3HE   MET  33          3HE       MET  33  -7.811  -6.603  -0.009
  276    HA   PRO  34           HA       PRO  34  -8.813  -7.155   7.475
  277   1HB   PRO  34          2HB       PRO  34 -11.423  -6.580   7.303
  278   2HB   PRO  34          1HB       PRO  34 -10.195  -5.485   6.655
  279   1HG   PRO  34          2HG       PRO  34 -11.937  -7.445   5.218
  280   2HG   PRO  34          1HG       PRO  34 -11.469  -5.803   4.744
  281   1HD   PRO  34          2HD       PRO  34 -10.285  -8.105   3.791
  282   2HD   PRO  34          1HD       PRO  34  -9.511  -6.510   3.810
  283    H    GLU  35           H        GLU  35  -9.070  -8.627   9.038
  284    HA   GLU  35           HA       GLU  35 -10.438 -11.104   8.497
  285   1HB   GLU  35          2HB       GLU  35  -8.298 -11.028   9.755
  286   2HB   GLU  35          1HB       GLU  35  -9.130 -10.189  11.055
  287   1HG   GLU  35          2HG       GLU  35  -9.825 -12.098  11.919
  288   2HG   GLU  35          1HG       GLU  35 -10.556 -12.577  10.388
  289    H    ALA  36           H        ALA  36 -10.617  -9.258  11.482
  290    HA   ALA  36           HA       ALA  36 -13.367  -8.603  11.275
  291   1HB   ALA  36          1HB       ALA  36 -14.192 -10.638  11.757
  292   2HB   ALA  36          2HB       ALA  36 -13.713 -10.257  13.411
  293   3HB   ALA  36          3HB       ALA  36 -12.649 -11.220  12.385
  294    H    ALA  37           H        ALA  37 -10.922  -9.593  13.645
  295    HA   ALA  37           HA       ALA  37 -10.704  -6.955  14.720
  296   1HB   ALA  37          1HB       ALA  37 -12.819  -8.212  15.754
  297   2HB   ALA  37          2HB       ALA  37 -11.810  -7.118  16.700
  298   3HB   ALA  37          3HB       ALA  37 -11.571  -8.861  16.817
  299    H    VAL  38           H        VAL  38  -8.590  -7.741  13.847
  300    HA   VAL  38           HA       VAL  38  -7.002  -8.820  16.033
  301    HB   VAL  38           HB       VAL  38  -5.820 -10.377  14.417
  302   1HG1  VAL  38          1HG1      VAL  38  -7.074 -12.131  15.142
  303   2HG1  VAL  38          2HG1      VAL  38  -8.602 -11.365  14.706
  304   3HG1  VAL  38          3HG1      VAL  38  -7.754 -10.870  16.171
  305   1HG2  VAL  38          1HG2      VAL  38  -7.484  -9.171  12.550
  306   2HG2  VAL  38          2HG2      VAL  38  -8.182 -10.775  12.774
  307   3HG2  VAL  38          3HG2      VAL  38  -6.493 -10.607  12.299
  308    H    LYS  39           H        LYS  39  -4.675  -8.607  15.628
  309    HA   LYS  39           HA       LYS  39  -3.031  -7.004  15.362
  310   1HB   LYS  39          2HB       LYS  39  -2.161  -7.096  13.028
  311   2HB   LYS  39          1HB       LYS  39  -2.474  -8.669  13.744
  312   1HG   LYS  39          2HG       LYS  39  -4.840  -8.121  12.470
  313   2HG   LYS  39          1HG       LYS  39  -3.643  -7.412  11.388
  314   1HD   LYS  39          2HD       LYS  39  -2.445  -9.758  11.914
  315   2HD   LYS  39          1HD       LYS  39  -4.132 -10.241  12.098
  316   1HE   LYS  39          2HE       LYS  39  -4.151  -8.729   9.793
  317   2HE   LYS  39          1HE       LYS  39  -2.621  -9.598   9.694
  318   1HZ   LYS  39          1HZ       LYS  39  -3.827 -11.280   8.916
  319   2HZ   LYS  39          2HZ       LYS  39  -5.293 -10.579   9.384
  320   3HZ   LYS  39          3HZ       LYS  39  -4.403 -11.497  10.491
  321    H    SER  40           H        SER  40  -5.200  -5.491  15.788
  322    HA   SER  40           HA       SER  40  -6.047  -3.399  15.516
  323   1HB   SER  40          2HB       SER  40  -3.375  -3.256  14.235
  324   2HB   SER  40          1HB       SER  40  -4.500  -1.952  13.851
  325    HG   SER  40           HG       SER  40  -3.724  -1.194  15.673
  326    H    THR  41           H        THR  41  -7.699  -4.739  14.287
  327    HA   THR  41           HA       THR  41  -8.203  -3.414  11.750
  328    HB   THR  41           HB       THR  41  -8.647  -5.484  10.539
  329    HG1  THR  41           1HG      THR  41  -9.096  -7.074  11.858
  330   1HG2  THR  41          1HG2      THR  41  -6.463  -6.223  10.109
  331   2HG2  THR  41          2HG2      THR  41  -5.909  -5.781  11.725
  332   3HG2  THR  41          3HG2      THR  41  -6.316  -4.523  10.558
  333    H    ALA  42           H        ALA  42 -10.388  -4.090  10.894
  334    HA   ALA  42           HA       ALA  42 -12.320  -5.213  12.642
  335   1HB   ALA  42          1HB       ALA  42 -13.083  -3.465  13.794
  336   2HB   ALA  42          2HB       ALA  42 -13.193  -2.480  12.336
  337   3HB   ALA  42          3HB       ALA  42 -11.676  -2.563  13.230
  338    H    ASN  43           H        ASN  43 -12.008  -2.658  10.209
  339    HA   ASN  43           HA       ASN  43 -13.359  -4.241   8.232
  340   1HB   ASN  43          2HB       ASN  43 -14.694  -1.925   9.569
  341   2HB   ASN  43          1HB       ASN  43 -14.967  -2.179   7.849
  342   1HD2  ASN  43          1HD2      ASN  43 -15.778  -3.118  10.997
  343   2HD2  ASN  43          2HD2      ASN  43 -16.835  -4.425  10.595
  344    H    LYS  44           H        LYS  44 -10.772  -3.232   8.435
  345    HA   LYS  44           HA       LYS  44 -10.775  -1.371   6.164
  346   1HB   LYS  44          2HB       LYS  44  -8.734  -1.037   8.321
  347   2HB   LYS  44          1HB       LYS  44  -9.328   0.140   7.156
  348   1HG   LYS  44          2HG       LYS  44 -11.202   0.630   8.401
  349   2HG   LYS  44          1HG       LYS  44 -11.185  -0.924   9.239
  350   1HD   LYS  44          2HD       LYS  44  -9.268  -0.245  10.543
  351   2HD   LYS  44          1HD       LYS  44  -9.141   1.262   9.634
  352   1HE   LYS  44          2HE       LYS  44 -11.602   0.519  11.191
  353   2HE   LYS  44          1HE       LYS  44 -10.250   1.382  11.921
  354   1HZ   LYS  44          1HZ       LYS  44 -12.198   2.719  10.950
  355   2HZ   LYS  44          2HZ       LYS  44 -11.497   2.386   9.447
  356   3HZ   LYS  44          3HZ       LYS  44 -10.621   3.236  10.617
  357    H    TYR  45           H        TYR  45  -8.997  -1.470   4.803
  358    HA   TYR  45           HA       TYR  45  -7.574  -4.028   4.858
  359   1HB   TYR  45          2HB       TYR  45  -7.842  -1.922   2.695
  360   2HB   TYR  45          1HB       TYR  45  -6.946  -3.428   2.518
  361    HD1  TYR  45           1HD      TYR  45  -8.039  -5.398   1.872
  362    HD2  TYR  45           2HD      TYR  45 -10.337  -2.060   3.163
  363    HE1  TYR  45           1HE      TYR  45 -10.094  -6.543   1.155
  364    HE2  TYR  45           2HE      TYR  45 -12.398  -3.195   2.450
  365    HH   TYR  45           HH       TYR  45 -12.538  -6.466   1.720
  366    H    GLN  46           H        GLN  46  -5.292  -4.136   4.472
  367    HA   GLN  46           HA       GLN  46  -3.837  -1.878   5.639
  368   1HB   GLN  46          2HB       GLN  46  -3.630  -4.507   6.201
  369   2HB   GLN  46          1HB       GLN  46  -2.429  -4.397   4.922
  370   1HG   GLN  46          2HG       GLN  46  -1.807  -2.247   6.489
  371   2HG   GLN  46          1HG       GLN  46  -2.337  -3.440   7.673
  372   1HE2  GLN  46          1HE2      GLN  46   0.050  -2.997   8.168
  373   2HE2  GLN  46          2HE2      GLN  46   1.178  -4.091   7.453
  374    H    VAL  47           H        VAL  47  -3.263  -0.422   4.176
  375    HA   VAL  47           HA       VAL  47  -2.472  -1.301   1.500
  376    HB   VAL  47           HB       VAL  47  -3.170   1.467   2.480
  377   1HG1  VAL  47          1HG1      VAL  47  -2.245   2.188   0.594
  378   2HG1  VAL  47          2HG1      VAL  47  -3.487   1.300  -0.292
  379   3HG1  VAL  47          3HG1      VAL  47  -1.934   0.538   0.054
  380   1HG2  VAL  47          1HG2      VAL  47  -4.876  -0.665   2.059
  381   2HG2  VAL  47          2HG2      VAL  47  -4.965   0.247   0.551
  382   3HG2  VAL  47          3HG2      VAL  47  -5.322   1.041   2.085
  383    H    PHE  48           H        PHE  48  -0.576  -0.785   0.562
  384    HA   PHE  48           HA       PHE  48   1.545   0.237   2.329
  385   1HB   PHE  48          2HB       PHE  48   1.881  -2.031   1.397
  386   2HB   PHE  48          1HB       PHE  48   1.761  -1.372  -0.231
  387    HD1  PHE  48           1HD      PHE  48   3.651  -0.551   2.890
  388    HD2  PHE  48           2HD      PHE  48   3.761  -1.186  -1.318
  389    HE1  PHE  48           1HE      PHE  48   6.073  -0.119   2.892
  390    HE2  PHE  48           2HE      PHE  48   6.185  -0.757  -1.325
  391    HZ   PHE  48           HZ       PHE  48   7.345  -0.223   0.783
  392    H    PHE  49           H        PHE  49   2.202   2.251   1.976
  393    HA   PHE  49           HA       PHE  49   1.503   3.594  -0.521
  394   1HB   PHE  49          2HB       PHE  49   2.559   4.661   2.106
  395   2HB   PHE  49          1HB       PHE  49   2.215   5.660   0.697
  396    HD1  PHE  49           1HD      PHE  49   0.925   4.387   3.691
  397    HD2  PHE  49           2HD      PHE  49  -0.214   5.382  -0.286
  398    HE1  PHE  49           1HE      PHE  49  -1.420   4.555   4.401
  399    HE2  PHE  49           2HE      PHE  49  -2.557   5.559   0.426
  400    HZ   PHE  49           HZ       PHE  49  -3.166   5.140   2.773
  401    H    PHE  50           H        PHE  50   2.962   3.349  -2.103
  402    HA   PHE  50           HA       PHE  50   5.655   2.674  -1.767
  403   1HB   PHE  50          2HB       PHE  50   4.164   3.922  -4.074
  404   2HB   PHE  50          1HB       PHE  50   5.877   3.529  -4.168
  405    HD1  PHE  50           1HD      PHE  50   6.403   1.041  -3.293
  406    HD2  PHE  50           2HD      PHE  50   2.713   2.380  -4.939
  407    HE1  PHE  50           1HE      PHE  50   5.842  -1.275  -3.907
  408    HE2  PHE  50           2HE      PHE  50   2.146   0.065  -5.552
  409    HZ   PHE  50           HZ       PHE  50   3.710  -1.764  -5.037
  410    H    GLY  51           H        GLY  51   7.423   4.159  -2.872
  411   1HA   GLY  51          2HA       GLY  51   8.684   6.084  -2.779
  412   2HA   GLY  51          1HA       GLY  51   7.203   6.970  -2.444
  413    H    THR  52           H        THR  52   6.312   6.406  -0.145
  414    HA   THR  52           HA       THR  52   8.464   7.031   1.717
  415    HB   THR  52           HB       THR  52   6.680   7.606   3.279
  416    HG1  THR  52           1HG      THR  52   4.985   6.564   1.266
  417   1HG2  THR  52          1HG2      THR  52   5.307   9.171   1.650
  418   2HG2  THR  52          2HG2      THR  52   6.626   8.756   0.556
  419   3HG2  THR  52          3HG2      THR  52   6.974   9.517   2.109
  420    H    HIS  53           H        HIS  53   6.408   4.412   0.821
  421    HA   HIS  53           HA       HIS  53   6.265   2.249   1.520
  422   1HB   HIS  53          2HB       HIS  53   8.838   3.093   2.827
  423   2HB   HIS  53          1HB       HIS  53   8.139   1.519   3.190
  424    HD1  HIS  53           1HD      HIS  53  10.020   0.219   2.048
  425    HD2  HIS  53           2HD      HIS  53   8.075   2.888  -0.474
  426    HE1  HIS  53           1HE      HIS  53  10.815  -0.345  -0.270
  427    HE2  HIS  53           2HE      HIS  53   9.550   1.218  -1.788
  428    H    GLU  54           H        GLU  54   4.817   4.331   2.832
  429    HA   GLU  54           HA       GLU  54   4.809   3.612   5.658
  430   1HB   GLU  54          2HB       GLU  54   3.054   5.570   4.165
  431   2HB   GLU  54          1HB       GLU  54   3.175   5.405   5.911
  432   1HG   GLU  54          2HG       GLU  54   5.355   6.277   5.951
  433   2HG   GLU  54          1HG       GLU  54   5.545   6.098   4.207
  434    H    THR  55           H        THR  55   2.925   2.826   6.747
  435    HA   THR  55           HA       THR  55   1.049   1.436   4.960
  436    HB   THR  55           HB       THR  55   1.017  -0.057   7.268
  437    HG1  THR  55           1HG      THR  55   2.899   1.133   7.961
  438   1HG2  THR  55          1HG2      THR  55   3.054  -0.855   5.293
  439   2HG2  THR  55          2HG2      THR  55   1.411  -0.623   4.696
  440   3HG2  THR  55          3HG2      THR  55   1.723  -1.774   5.996
  441    H    ALA  56           H        ALA  56  -1.063   1.311   5.520
  442    HA   ALA  56           HA       ALA  56  -2.001   2.447   8.012
  443   1HB   ALA  56          1HB       ALA  56  -3.139   3.733   5.589
  444   2HB   ALA  56          2HB       ALA  56  -1.575   4.286   6.188
  445   3HB   ALA  56          3HB       ALA  56  -2.993   4.351   7.235
  446    H    PHE  57           H        PHE  57  -4.414   2.344   8.166
  447    HA   PHE  57           HA       PHE  57  -5.370  -0.004   6.690
  448   1HB   PHE  57          2HB       PHE  57  -6.061   1.057   9.424
  449   2HB   PHE  57          1HB       PHE  57  -7.008  -0.192   8.623
  450    HD1  PHE  57           1HD      PHE  57  -6.281  -2.434   8.569
  451    HD2  PHE  57           2HD      PHE  57  -3.681   0.617   9.996
  452    HE1  PHE  57           1HE      PHE  57  -4.736  -4.153   9.418
  453    HE2  PHE  57           2HE      PHE  57  -2.130  -1.094  10.845
  454    HZ   PHE  57           HZ       PHE  57  -2.657  -3.483  10.556
  455    H    LEU  58           H        LEU  58  -6.148   1.117   4.889
  456    HA   LEU  58           HA       LEU  58  -8.271   3.076   5.353
  457   1HB   LEU  58          2HB       LEU  58  -6.365   2.535   3.192
  458   2HB   LEU  58          1HB       LEU  58  -7.987   2.896   2.631
  459    HG   LEU  58           HG       LEU  58  -7.892   4.991   4.049
  460   1HD1  LEU  58          1HD1      LEU  58  -5.403   3.799   4.820
  461   2HD1  LEU  58          2HD1      LEU  58  -6.199   5.238   5.456
  462   3HD1  LEU  58          3HD1      LEU  58  -5.111   5.370   4.075
  463   1HD2  LEU  58          1HD2      LEU  58  -7.154   6.170   2.264
  464   2HD2  LEU  58          2HD2      LEU  58  -7.235   4.587   1.489
  465   3HD2  LEU  58          3HD2      LEU  58  -5.692   5.200   2.087
  466    H    GLY  59           H        GLY  59 -10.287   2.927   4.189
  467   1HA   GLY  59          2HA       GLY  59 -11.209   0.158   4.054
  468   2HA   GLY  59          1HA       GLY  59 -12.224   1.590   4.114
  469    HA   PRO  60           HA       PRO  60 -11.948  -0.144  -0.271
  470   1HB   PRO  60          2HB       PRO  60 -14.636  -0.480  -0.605
  471   2HB   PRO  60          1HB       PRO  60 -13.561  -1.747  -0.002
  472   1HG   PRO  60          2HG       PRO  60 -15.355   0.102   1.521
  473   2HG   PRO  60          1HG       PRO  60 -15.064  -1.631   1.763
  474   1HD   PRO  60          2HD       PRO  60 -13.898   0.253   3.304
  475   2HD   PRO  60          1HD       PRO  60 -13.082  -1.269   2.893
  476    H    LYS  61           H        LYS  61 -14.042   2.198   1.327
  477    HA   LYS  61           HA       LYS  61 -14.819   3.569  -1.036
  478   1HB   LYS  61          2HB       LYS  61 -14.707   4.628   1.792
  479   2HB   LYS  61          1HB       LYS  61 -15.632   5.305   0.458
  480   1HG   LYS  61          2HG       LYS  61 -16.075   2.541   1.557
  481   2HG   LYS  61          1HG       LYS  61 -16.956   3.969   2.100
  482   1HD   LYS  61          2HD       LYS  61 -18.415   3.355   0.492
  483   2HD   LYS  61          1HD       LYS  61 -17.279   4.188  -0.571
  484   1HE   LYS  61          2HE       LYS  61 -16.168   1.709  -0.425
  485   2HE   LYS  61          1HE       LYS  61 -17.886   1.326  -0.318
  486   1HZ   LYS  61          1HZ       LYS  61 -17.474   3.240  -2.348
  487   2HZ   LYS  61          2HZ       LYS  61 -18.084   1.668  -2.483
  488   3HZ   LYS  61          3HZ       LYS  61 -16.419   1.939  -2.597
  489    H    ASP  62           H        ASP  62 -11.957   3.583   0.879
  490    HA   ASP  62           HA       ASP  62 -11.076   6.128  -0.276
  491   1HB   ASP  62          2HB       ASP  62 -10.167   4.465   2.042
  492   2HB   ASP  62          1HB       ASP  62  -9.045   5.599   1.298
  493    H    LEU  63           H        LEU  63 -11.067   3.026  -1.250
  494    HA   LEU  63           HA       LEU  63  -8.368   3.188  -2.411
  495   1HB   LEU  63          2HB       LEU  63 -10.147   0.769  -2.104
  496   2HB   LEU  63          1HB       LEU  63  -8.523   0.773  -2.762
  497    HG   LEU  63           HG       LEU  63  -8.967   1.759   0.025
  498   1HD1  LEU  63          1HD1      LEU  63  -9.931  -0.207   0.536
  499   2HD1  LEU  63          2HD1      LEU  63  -8.281  -0.823   0.441
  500   3HD1  LEU  63          3HD1      LEU  63  -9.365  -0.988  -0.940
  501   1HD2  LEU  63          1HD2      LEU  63  -6.724   1.338   0.305
  502   2HD2  LEU  63          2HD2      LEU  63  -6.772   1.787  -1.400
  503   3HD2  LEU  63          3HD2      LEU  63  -6.692   0.087  -0.938
  504    H    PHE  64           H        PHE  64  -8.092   3.125  -4.593
  505    HA   PHE  64           HA       PHE  64 -10.467   2.761  -6.285
  506   1HB   PHE  64          2HB       PHE  64  -8.474   5.012  -6.648
  507   2HB   PHE  64          1HB       PHE  64  -9.927   4.724  -7.599
  508    HD1  PHE  64           1HD      PHE  64  -8.934   5.245  -4.039
  509    HD2  PHE  64           2HD      PHE  64 -11.778   5.988  -7.117
  510    HE1  PHE  64           1HE      PHE  64 -10.215   6.675  -2.503
  511    HE2  PHE  64           2HE      PHE  64 -13.065   7.422  -5.585
  512    HZ   PHE  64           HZ       PHE  64 -12.282   7.767  -3.274
  513    HA   PRO  65           HA       PRO  65  -7.858   0.271  -8.825
  514   1HB   PRO  65          2HB       PRO  65  -9.092   1.499 -11.208
  515   2HB   PRO  65          1HB       PRO  65  -9.103  -0.185 -10.682
  516   1HG   PRO  65          2HG       PRO  65 -11.301   1.332 -10.524
  517   2HG   PRO  65          1HG       PRO  65 -10.917   0.128  -9.279
  518   1HD   PRO  65          2HD       PRO  65 -10.548   3.102  -9.219
  519   2HD   PRO  65          1HD       PRO  65 -11.129   2.011  -7.941
  520    H    TYR  66           H        TYR  66  -5.763   0.844  -8.897
  521    HA   TYR  66           HA       TYR  66  -4.698   3.328  -9.477
  522   1HB   TYR  66          2HB       TYR  66  -3.328   1.701  -8.396
  523   2HB   TYR  66          1HB       TYR  66  -3.489   0.574  -9.741
  524    HD1  TYR  66           1HD      TYR  66  -2.130   0.792 -11.712
  525    HD2  TYR  66           2HD      TYR  66  -1.883   3.681  -8.598
  526    HE1  TYR  66           1HE      TYR  66  -0.088   1.705 -12.732
  527    HE2  TYR  66           2HE      TYR  66   0.164   4.599  -9.605
  528    HH   TYR  66           HH       TYR  66   1.182   4.652 -11.984
  529    H    GLU  67           H        GLU  67  -4.718   0.522 -11.690
  530    HA   GLU  67           HA       GLU  67  -3.673   1.742 -13.922
  531   1HB   GLU  67          2HB       GLU  67  -5.393  -0.594 -13.429
  532   2HB   GLU  67          1HB       GLU  67  -5.506   0.063 -15.057
  533   1HG   GLU  67          2HG       GLU  67  -3.176  -0.241 -15.425
  534   2HG   GLU  67          1HG       GLU  67  -2.904  -0.647 -13.730
  535    H    GLU  68           H        GLU  68  -7.022   1.726 -12.848
  536    HA   GLU  68           HA       GLU  68  -8.078   3.081 -15.090
  537   1HB   GLU  68          2HB       GLU  68  -9.154   1.689 -13.040
  538   2HB   GLU  68          1HB       GLU  68  -9.507   3.334 -12.525
  539   1HG   GLU  68          2HG       GLU  68 -11.098   3.587 -14.060
  540   2HG   GLU  68          1HG       GLU  68 -10.113   2.858 -15.327
  541    H    SER  69           H        SER  69  -6.921   4.206 -11.938
  542    HA   SER  69           HA       SER  69  -7.498   6.963 -12.794
  543   1HB   SER  69          2HB       SER  69  -6.881   5.909 -10.026
  544   2HB   SER  69          1HB       SER  69  -7.287   7.578 -10.428
  545    HG   SER  69           HG       SER  69  -9.328   6.856 -11.109
  546    H    LYS  70           H        LYS  70  -5.032   5.037 -13.271
  547    HA   LYS  70           HA       LYS  70  -2.803   6.140 -12.024
  548   1HB   LYS  70          2HB       LYS  70  -1.479   5.100 -13.696
  549   2HB   LYS  70          1HB       LYS  70  -2.873   4.060 -13.453
  550   1HG   LYS  70          2HG       LYS  70  -3.889   4.868 -15.483
  551   2HG   LYS  70          1HG       LYS  70  -2.596   6.049 -15.698
  552   1HD   LYS  70          2HD       LYS  70  -1.596   4.503 -16.961
  553   2HD   LYS  70          1HD       LYS  70  -1.226   3.674 -15.447
  554   1HE   LYS  70          2HE       LYS  70  -2.230   2.112 -16.977
  555   2HE   LYS  70          1HE       LYS  70  -3.354   2.431 -15.659
  556   1HZ   LYS  70          1HZ       LYS  70  -3.666   2.901 -18.460
  557   2HZ   LYS  70          2HZ       LYS  70  -3.999   4.287 -17.550
  558   3HZ   LYS  70          3HZ       LYS  70  -4.838   2.851 -17.240
  559    H    GLU  71           H        GLU  71  -4.316   7.061 -15.094
  560    HA   GLU  71           HA       GLU  71  -2.517   9.209 -15.601
  561   1HB   GLU  71          2HB       GLU  71  -4.083   9.821 -17.387
  562   2HB   GLU  71          1HB       GLU  71  -3.714   8.101 -17.414
  563   1HG   GLU  71          2HG       GLU  71  -5.833   7.618 -16.315
  564   2HG   GLU  71          1HG       GLU  71  -6.202   9.341 -16.260
  565    H    LYS  72           H        LYS  72  -5.310   8.877 -13.620
  566    HA   LYS  72           HA       LYS  72  -5.972  11.684 -13.617
  567   1HB   LYS  72          2HB       LYS  72  -7.395   9.416 -13.117
  568   2HB   LYS  72          1HB       LYS  72  -7.059   9.973 -11.485
  569   1HG   LYS  72          2HG       LYS  72  -8.093  12.093 -11.944
  570   2HG   LYS  72          1HG       LYS  72  -8.319  11.652 -13.638
  571   1HD   LYS  72          2HD       LYS  72 -10.341  10.922 -13.035
  572   2HD   LYS  72          1HD       LYS  72  -9.505   9.568 -12.270
  573   1HE   LYS  72          2HE       LYS  72  -9.780  10.406 -10.172
  574   2HE   LYS  72          1HE       LYS  72  -9.719  12.083 -10.717
  575   1HZ   LYS  72          1HZ       LYS  72 -11.947  10.965  -9.917
  576   2HZ   LYS  72          2HZ       LYS  72 -12.020  10.477 -11.534
  577   3HZ   LYS  72          3HZ       LYS  72 -11.931  12.122 -11.152
  578    H    PHE  73           H        PHE  73  -4.661   9.372 -11.244
  579    HA   PHE  73           HA       PHE  73  -3.883  11.645  -9.552
  580   1HB   PHE  73          2HB       PHE  73  -3.816   8.730  -8.786
  581   2HB   PHE  73          1HB       PHE  73  -3.775  10.130  -7.722
  582    HD1  PHE  73           1HD      PHE  73  -5.698   7.588  -8.029
  583    HD2  PHE  73           2HD      PHE  73  -5.985  11.734  -8.941
  584    HE1  PHE  73           1HE      PHE  73  -8.143   7.466  -7.792
  585    HE2  PHE  73           2HE      PHE  73  -8.432  11.619  -8.704
  586    HZ   PHE  73           HZ       PHE  73  -9.513   9.483  -8.128
  587    H    GLY  74           H        GLY  74  -2.474   9.689 -11.872
  588   1HA   GLY  74          2HA       GLY  74   0.060   9.316 -10.542
  589   2HA   GLY  74          1HA       GLY  74  -0.309   8.938 -12.216
  590    H    LYS  75           H        LYS  75   0.207  11.728 -10.047
  591    HA   LYS  75           HA       LYS  75   1.943  12.906 -12.043
  592   1HB   LYS  75          2HB       LYS  75   0.365  14.277 -12.851
  593   2HB   LYS  75          1HB       LYS  75  -0.781  13.792 -11.613
  594   1HG   LYS  75          2HG       LYS  75  -0.054  15.480 -10.137
  595   2HG   LYS  75          1HG       LYS  75   1.386  15.808 -11.103
  596   1HD   LYS  75          2HD       LYS  75   0.203  16.958 -12.717
  597   2HD   LYS  75          1HD       LYS  75  -1.313  16.139 -12.338
  598   1HE   LYS  75          2HE       LYS  75  -1.597  18.321 -11.530
  599   2HE   LYS  75          1HE       LYS  75  -1.217  17.360 -10.102
  600   1HZ   LYS  75          1HZ       LYS  75   0.021  19.419 -10.101
  601   2HZ   LYS  75          2HZ       LYS  75   0.690  19.063 -11.613
  602   3HZ   LYS  75          3HZ       LYS  75   1.084  18.114 -10.271
  603    HA   PRO  76           HA       PRO  76   4.453  14.096  -8.630
  604   1HB   PRO  76          2HB       PRO  76   4.434  16.827  -9.844
  605   2HB   PRO  76          1HB       PRO  76   5.801  15.844  -9.304
  606   1HG   PRO  76          2HG       PRO  76   5.236  16.074 -11.895
  607   2HG   PRO  76          1HG       PRO  76   5.782  14.530 -11.216
  608   1HD   PRO  76          2HD       PRO  76   3.058  15.363 -12.081
  609   2HD   PRO  76          1HD       PRO  76   3.821  13.761 -12.133
  610    H    ASN  77           H        ASN  77   4.425  15.279  -6.684
  611    HA   ASN  77           HA       ASN  77   2.099  17.020  -6.253
  612   1HB   ASN  77          2HB       ASN  77   2.354  14.357  -5.263
  613   2HB   ASN  77          1HB       ASN  77   2.442  15.463  -3.895
  614   1HD2  ASN  77          1HD2      ASN  77   0.424  13.840  -6.006
  615   2HD2  ASN  77          2HD2      ASN  77  -1.051  14.667  -5.647
  616    H    LYS  78           H        LYS  78   2.183  18.166  -4.147
  617    HA   LYS  78           HA       LYS  78   4.836  19.255  -3.775
  618   1HB   LYS  78          2HB       LYS  78   2.090  20.023  -2.842
  619   2HB   LYS  78          1HB       LYS  78   3.515  20.751  -2.114
  620   1HG   LYS  78          2HG       LYS  78   2.981  20.779  -5.071
  621   2HG   LYS  78          1HG       LYS  78   2.457  22.057  -3.973
  622   1HD   LYS  78          2HD       LYS  78   4.721  22.558  -3.372
  623   2HD   LYS  78          1HD       LYS  78   5.318  21.150  -4.253
  624   1HE   LYS  78          2HE       LYS  78   4.548  22.139  -6.354
  625   2HE   LYS  78          1HE       LYS  78   3.947  23.544  -5.475
  626   1HZ   LYS  78          1HZ       LYS  78   5.942  24.443  -5.689
  627   2HZ   LYS  78          2HZ       LYS  78   6.547  23.050  -6.433
  628   3HZ   LYS  78          3HZ       LYS  78   6.609  23.203  -4.750
  629    H    ARG  79           H        ARG  79   2.877  16.892  -2.279
  630    HA   ARG  79           HA       ARG  79   3.734  17.164   0.397
  631   1HB   ARG  79          2HB       ARG  79   2.924  14.605  -0.986
  632   2HB   ARG  79          1HB       ARG  79   2.855  14.949   0.737
  633   1HG   ARG  79          2HG       ARG  79   1.202  16.296  -1.388
  634   2HG   ARG  79          1HG       ARG  79   0.648  15.030  -0.292
  635   1HD   ARG  79          2HD       ARG  79   1.006  16.461   1.613
  636   2HD   ARG  79          1HD       ARG  79   1.717  17.705   0.588
  637    HE   ARG  79           HE       ARG  79  -0.992  16.963  -0.090
  638   1HH1  ARG  79          1HH1      ARG  79   1.050  19.114   1.751
  639   2HH1  ARG  79          2HH1      ARG  79  -0.161  20.343   1.892
  640   1HH2  ARG  79          1HH2      ARG  79  -2.586  18.579   0.098
  641   2HH2  ARG  79          2HH2      ARG  79  -2.224  20.038   0.956
  642    H    LYS  80           H        LYS  80   5.334  16.190  -2.401
  643    HA   LYS  80           HA       LYS  80   7.389  15.364  -2.829
  644   1HB   LYS  80          2HB       LYS  80   7.873  15.910   0.104
  645   2HB   LYS  80          1HB       LYS  80   9.118  15.566  -1.090
  646   1HG   LYS  80          2HG       LYS  80   7.360  17.991  -0.886
  647   2HG   LYS  80          1HG       LYS  80   9.117  17.901  -0.786
  648   1HD   LYS  80          2HD       LYS  80   7.651  17.097  -3.289
  649   2HD   LYS  80          1HD       LYS  80   8.065  18.779  -2.963
  650   1HE   LYS  80          2HE       LYS  80   9.778  17.769  -4.335
  651   2HE   LYS  80          1HE       LYS  80  10.431  18.134  -2.738
  652   1HZ   LYS  80          1HZ       LYS  80  10.737  15.791  -3.945
  653   2HZ   LYS  80          2HZ       LYS  80   9.318  15.472  -3.080
  654   3HZ   LYS  80          3HZ       LYS  80  10.713  15.967  -2.262
  655    H    GLY  81           H        GLY  81   8.420  13.413  -2.895
  656   1HA   GLY  81          2HA       GLY  81   8.869  11.191  -2.256
  657   2HA   GLY  81          1HA       GLY  81   7.736  11.373  -0.921
  658    H    PHE  82           H        PHE  82   5.834  12.608  -3.033
  659    HA   PHE  82           HA       PHE  82   4.210  10.379  -3.444
  660   1HB   PHE  82          2HB       PHE  82   3.430  12.720  -3.499
  661   2HB   PHE  82          1HB       PHE  82   4.301  12.971  -5.007
  662    HD1  PHE  82           1HD      PHE  82   3.567  11.798  -7.061
  663    HD2  PHE  82           2HD      PHE  82   1.321  11.676  -3.451
  664    HE1  PHE  82           1HE      PHE  82   1.593  11.045  -8.320
  665    HE2  PHE  82           2HE      PHE  82  -0.655  10.924  -4.699
  666    HZ   PHE  82           HZ       PHE  82  -0.524  10.602  -7.137
  667    H    SER  83           H        SER  83   6.166  12.158  -5.834
  668    HA   SER  83           HA       SER  83   5.767  10.496  -8.008
  669   1HB   SER  83          2HB       SER  83   8.438  11.780  -7.500
  670   2HB   SER  83          1HB       SER  83   7.590  11.560  -9.030
  671    HG   SER  83           HG       SER  83   7.388  13.574  -7.187
  672    H    GLU  84           H        GLU  84   8.280  10.271  -5.499
  673    HA   GLU  84           HA       GLU  84   9.790   8.197  -6.482
  674   1HB   GLU  84          2HB       GLU  84   9.540   9.523  -4.031
  675   2HB   GLU  84          1HB       GLU  84   9.304   7.824  -3.648
  676   1HG   GLU  84          2HG       GLU  84  11.432   7.394  -4.969
  677   2HG   GLU  84          1HG       GLU  84  11.688   9.138  -4.903
  678    H    GLY  85           H        GLY  85   6.588   8.099  -5.081
  679   1HA   GLY  85          2HA       GLY  85   6.501   5.262  -4.748
  680   2HA   GLY  85          1HA       GLY  85   5.125   6.356  -4.716
  681    H    LEU  86           H        LEU  86   5.749   7.483  -7.348
  682    HA   LEU  86           HA       LEU  86   4.197   5.776  -8.947
  683   1HB   LEU  86          2HB       LEU  86   5.982   8.110  -9.578
  684   2HB   LEU  86          1HB       LEU  86   5.165   7.224 -10.851
  685    HG   LEU  86           HG       LEU  86   3.746   8.568  -8.551
  686   1HD1  LEU  86          1HD1      LEU  86   3.478   9.641 -11.275
  687   2HD1  LEU  86          2HD1      LEU  86   5.045   9.901 -10.508
  688   3HD1  LEU  86          3HD1      LEU  86   3.575  10.478  -9.725
  689   1HD2  LEU  86          1HD2      LEU  86   1.933   8.313 -10.521
  690   2HD2  LEU  86          2HD2      LEU  86   2.163   7.118  -9.245
  691   3HD2  LEU  86          3HD2      LEU  86   2.917   6.881 -10.822
  692    H    TRP  87           H        TRP  87   7.697   6.273  -8.779
  693    HA   TRP  87           HA       TRP  87   8.407   4.579 -10.917
  694   1HB   TRP  87          2HB       TRP  87   9.996   6.169 -10.014
  695   2HB   TRP  87          1HB       TRP  87   9.947   5.389  -8.437
  696    HD1  TRP  87           HD       TRP  87  11.613   5.177 -11.816
  697    HE1  TRP  87           1HE      TRP  87  13.375   3.305 -11.789
  698    HE3  TRP  87           3HE      TRP  87  10.441   3.023  -7.328
  699    HZ2  TRP  87           2HZ      TRP  87  14.160   1.186 -10.093
  700    HZ3  TRP  87           3HZ      TRP  87  11.746   1.079  -6.578
  701    HH2  TRP  87           HH       TRP  87  13.566   0.180  -7.933
  702    H    GLU  88           H        GLU  88   8.121   3.943  -7.417
  703    HA   GLU  88           HA       GLU  88   9.010   1.280  -7.506
  704   1HB   GLU  88          2HB       GLU  88   7.727   3.048  -5.569
  705   2HB   GLU  88          1HB       GLU  88   7.240   1.369  -5.384
  706   1HG   GLU  88          2HG       GLU  88   9.079   1.117  -4.171
  707   2HG   GLU  88          1HG       GLU  88   9.962   1.186  -5.695
  708    H    ILE  89           H        ILE  89   5.663   2.553  -7.496
  709    HA   ILE  89           HA       ILE  89   4.315   0.152  -7.533
  710    HB   ILE  89           HB       ILE  89   3.290   2.421  -7.333
  711   1HG1  ILE  89          2HG1      ILE  89   1.541   1.377  -9.361
  712   2HG1  ILE  89          1HG1      ILE  89   2.237   0.048  -8.437
  713   1HG2  ILE  89          1HG2      ILE  89   3.605   3.904  -8.940
  714   2HG2  ILE  89          2HG2      ILE  89   2.555   2.942  -9.979
  715   3HG2  ILE  89          3HG2      ILE  89   4.298   2.684 -10.006
  716   1HD1  ILE  89          1HD1      ILE  89   0.206   1.955  -7.692
  717   2HD1  ILE  89          2HD1      ILE  89   1.528   1.911  -6.522
  718   3HD1  ILE  89          3HD1      ILE  89   0.661   0.429  -6.931
  719    H    GLU  90           H        GLU  90   6.117   1.646 -10.089
  720    HA   GLU  90           HA       GLU  90   5.039  -0.231 -12.060
  721   1HB   GLU  90          2HB       GLU  90   6.852   2.154 -12.433
  722   2HB   GLU  90          1HB       GLU  90   6.212   1.151 -13.727
  723   1HG   GLU  90          2HG       GLU  90   4.145   2.191 -11.963
  724   2HG   GLU  90          1HG       GLU  90   5.085   3.453 -12.757
  725    H    ASN  91           H        ASN  91   8.163   0.799 -10.706
  726    HA   ASN  91           HA       ASN  91   9.612  -1.182 -12.198
  727   1HB   ASN  91          2HB       ASN  91  10.293   0.978 -10.294
  728   2HB   ASN  91          1HB       ASN  91  11.401  -0.388 -10.338
  729   1HD2  ASN  91          1HD2      ASN  91   9.774   1.980 -12.387
  730   2HD2  ASN  91          2HD2      ASN  91  11.021   2.068 -13.580
  731    H    ASN  92           H        ASN  92   8.295  -0.937  -8.951
  732    HA   ASN  92           HA       ASN  92   8.671  -3.772  -8.591
  733   1HB   ASN  92          2HB       ASN  92  10.529  -1.885  -7.441
  734   2HB   ASN  92          1HB       ASN  92   9.675  -2.755  -6.170
  735   1HD2  ASN  92          1HD2      ASN  92  11.852  -3.584  -5.749
  736   2HD2  ASN  92          2HD2      ASN  92  12.391  -4.971  -6.628
  737    HA   PRO  93           HA       PRO  93   4.863  -2.239  -6.572
  738   1HB   PRO  93          2HB       PRO  93   3.251  -4.228  -7.379
  739   2HB   PRO  93          1HB       PRO  93   3.686  -2.891  -8.451
  740   1HG   PRO  93          2HG       PRO  93   4.798  -5.665  -8.336
  741   2HG   PRO  93          1HG       PRO  93   4.382  -4.683  -9.752
  742   1HD   PRO  93          2HD       PRO  93   6.934  -4.977  -8.790
  743   2HD   PRO  93          1HD       PRO  93   6.382  -3.569  -9.716
  744    H    THR  94           H        THR  94   6.771  -5.059  -6.234
  745    HA   THR  94           HA       THR  94   5.242  -5.916  -3.877
  746    HB   THR  94           HB       THR  94   6.372  -8.044  -4.059
  747    HG1  THR  94           1HG      THR  94   7.768  -6.974  -6.279
  748   1HG2  THR  94          1HG2      THR  94   5.570  -7.241  -6.840
  749   2HG2  THR  94          2HG2      THR  94   4.436  -7.681  -5.564
  750   3HG2  THR  94          3HG2      THR  94   5.599  -8.867  -6.158
  751    H    VAL  95           H        VAL  95   7.437  -3.720  -4.297
  752    HA   VAL  95           HA       VAL  95   9.688  -4.483  -2.798
  753    HB   VAL  95           HB       VAL  95   9.651  -2.488  -4.230
  754   1HG1  VAL  95          1HG1      VAL  95   7.894  -1.128  -4.118
  755   2HG1  VAL  95          2HG1      VAL  95   8.568  -0.498  -2.615
  756   3HG1  VAL  95          3HG1      VAL  95   7.386  -1.807  -2.572
  757   1HG2  VAL  95          1HG2      VAL  95  10.280  -1.940  -1.331
  758   2HG2  VAL  95          2HG2      VAL  95  10.841  -0.966  -2.690
  759   3HG2  VAL  95          3HG2      VAL  95  11.363  -2.643  -2.533
  760    H    LYS  96           H        LYS  96  10.282  -4.021  -0.659
  761    HA   LYS  96           HA       LYS  96   8.225  -3.142   1.201
  762   1HB   LYS  96          2HB       LYS  96   8.995  -5.917   0.856
  763   2HB   LYS  96          1HB       LYS  96   9.321  -5.366   2.494
  764   1HG   LYS  96          2HG       LYS  96   6.695  -4.586   1.454
  765   2HG   LYS  96          1HG       LYS  96   6.939  -6.326   1.617
  766   1HD   LYS  96          2HD       LYS  96   7.849  -4.693   3.894
  767   2HD   LYS  96          1HD       LYS  96   6.105  -4.717   3.623
  768   1HE   LYS  96          2HE       LYS  96   5.941  -6.984   4.011
  769   2HE   LYS  96          1HE       LYS  96   7.626  -7.284   3.589
  770   1HZ   LYS  96          1HZ       LYS  96   6.686  -7.183   6.096
  771   2HZ   LYS  96          2HZ       LYS  96   7.238  -5.595   5.904
  772   3HZ   LYS  96          3HZ       LYS  96   8.299  -6.892   5.675
  773    H    ALA  97           H        ALA  97   9.119  -2.909   3.442
  774    HA   ALA  97           HA       ALA  97  11.869  -1.908   3.261
  775   1HB   ALA  97          1HB       ALA  97  10.238  -1.326   5.656
  776   2HB   ALA  97          2HB       ALA  97   9.695  -0.617   4.136
  777   3HB   ALA  97          3HB       ALA  97  11.319  -0.281   4.736
  778    H    SER  98           H        SER  98  12.650  -4.157   3.413
  779    HA   SER  98           HA       SER  98  13.313  -4.786   6.143
  780   1HB   SER  98          2HB       SER  98  12.145  -7.109   4.687
  781   2HB   SER  98          1HB       SER  98  12.211  -6.785   6.419
  782    HG   SER  98           HG       SER  98  10.527  -5.341   6.192
  783    H    GLY  99           H        GLY  99  15.453  -4.570   5.616
  784   1HA   GLY  99          2HA       GLY  99  16.643  -5.688   3.295
  785   2HA   GLY  99          1HA       GLY  99  17.499  -5.094   4.709
  786    H    TYR 100           H        TYR 100  18.978  -6.840   4.491
  787    HA   TYR 100           HA       TYR 100  17.998  -9.280   5.763
  788   1HB   TYR 100          2HB       TYR 100  18.161  -9.419   3.144
  789   2HB   TYR 100          1HB       TYR 100  19.886  -9.574   3.457
  790    HD1  TYR 100           1HD      TYR 100  20.700 -11.484   4.870
  791    HD2  TYR 100           2HD      TYR 100  16.695 -11.237   3.461
  792    HE1  TYR 100           1HE      TYR 100  20.408 -13.886   5.296
  793    HE2  TYR 100           2HE      TYR 100  16.391 -13.637   3.886
  794    HH   TYR 100           HH       TYR 100  17.341 -15.407   5.226
  795    H    GLN 101           H        GLN 101  20.983  -7.972   4.303
  796    HA   GLN 101           HA       GLN 101  22.429  -8.795   6.725
  797   1HB   GLN 101          2HB       GLN 101  23.033  -9.331   4.135
  798   2HB   GLN 101          1HB       GLN 101  23.962  -7.858   4.379
  799   1HG   GLN 101          2HG       GLN 101  24.943  -8.952   6.423
  800   2HG   GLN 101          1HG       GLN 101  24.182 -10.448   5.882
  801   1HE2  GLN 101          1HE2      GLN 101  26.963 -10.026   6.228
  802   2HE2  GLN 101          2HE2      GLN 101  27.718 -10.207   4.685
  803    H    SER 102           H        SER 102  22.562  -7.205   8.167
  804    HA   SER 102           HA       SER 102  22.639  -4.430   7.325
  805   1HB   SER 102          2HB       SER 102  22.730  -4.058   9.870
  806   2HB   SER 102          1HB       SER 102  21.259  -4.769   9.206
  807    HG   SER 102           HG       SER 102  23.394  -6.318  10.235
  808    H    SER 103           H        SER 103  24.388  -3.145   7.292
  809    HA   SER 103           HA       SER 103  26.974  -4.370   7.846
  810   1HB   SER 103          2HB       SER 103  26.144  -1.851   6.405
  811   2HB   SER 103          1HB       SER 103  27.831  -2.213   6.771
  812    HG   SER 103           HG       SER 103  27.849  -3.647   5.231
  813    H    GLN 104           H        GLN 104  24.884  -1.836   9.029
  814    HA   GLN 104           HA       GLN 104  24.954  -0.524  10.883
  815   1HB   GLN 104          2HB       GLN 104  26.131  -2.990  11.622
  816   2HB   GLN 104          1HB       GLN 104  27.112  -1.726  12.350
  817   1HG   GLN 104          2HG       GLN 104  25.595  -1.373  13.917
  818   2HG   GLN 104          1HG       GLN 104  24.334  -1.125  12.711
  819   1HE2  GLN 104          1HE2      GLN 104  24.228  -2.457  15.315
  820   2HE2  GLN 104          2HE2      GLN 104  23.665  -4.061  15.005
  821    H    LYS 105           H        LYS 105  26.298   1.034  12.089
  822    HA   LYS 105           HA       LYS 105  28.917   1.575  10.920
  823   1HB   LYS 105          2HB       LYS 105  26.530   3.390  10.746
  824   2HB   LYS 105          1HB       LYS 105  28.159   4.051  10.760
  825   1HG   LYS 105          2HG       LYS 105  28.650   3.261   8.683
  826   2HG   LYS 105          1HG       LYS 105  27.568   1.875   8.834
  827   1HD   LYS 105          2HD       LYS 105  25.763   3.859   8.897
  828   2HD   LYS 105          1HD       LYS 105  27.013   4.633   7.920
  829   1HE   LYS 105          2HE       LYS 105  26.217   3.532   6.160
  830   2HE   LYS 105          1HE       LYS 105  26.778   2.038   6.907
  831   1HZ   LYS 105          1HZ       LYS 105  24.705   1.454   7.493
  832   2HZ   LYS 105          2HZ       LYS 105  24.237   2.513   6.260
  833   3HZ   LYS 105          3HZ       LYS 105  24.231   3.034   7.869
  834    H    LYS 106           H        LYS 106  30.111   3.250  12.114
  835    HA   LYS 106           HA       LYS 106  29.565   3.015  14.965
  836   1HB   LYS 106          2HB       LYS 106  31.949   4.102  13.458
  837   2HB   LYS 106          1HB       LYS 106  31.835   4.025  15.211
  838   1HG   LYS 106          2HG       LYS 106  33.064   2.141  14.668
  839   2HG   LYS 106          1HG       LYS 106  31.427   1.511  14.866
  840   1HD   LYS 106          2HD       LYS 106  31.252   0.945  12.695
  841   2HD   LYS 106          1HD       LYS 106  32.069   2.410  12.146
  842   1HE   LYS 106          2HE       LYS 106  33.823   1.121  11.675
  843   2HE   LYS 106          1HE       LYS 106  34.061   0.956  13.413
  844   1HZ   LYS 106          1HZ       LYS 106  32.149  -0.887  12.862
  845   2HZ   LYS 106          2HZ       LYS 106  33.799  -1.212  13.046
  846   3HZ   LYS 106          3HZ       LYS 106  33.150  -0.980  11.501
  847    H    SER 107           H        SER 107  28.828   4.617  16.215
  848    HA   SER 107           HA       SER 107  28.972   7.377  15.250
  849   1HB   SER 107          2HB       SER 107  26.642   5.926  14.997
  850   2HB   SER 107          1HB       SER 107  26.406   6.762  16.532
  851    HG   SER 107           HG       SER 107  25.771   7.879  14.492
  852    H    CYS 108           H        CYS 108  28.704   8.972  16.914
  853    HA   CYS 108           HA       CYS 108  29.141   7.908  19.629
  854   1HB   CYS 108          2HB       CYS 108  30.492  10.171  18.182
  855   2HB   CYS 108          1HB       CYS 108  30.444  10.125  19.941
  856    HG   CYS 108           HG       CYS 108  31.564   7.540  18.977
  857    H    ALA 109           H        ALA 109  28.532   9.403  21.379
  858    HA   ALA 109           HA       ALA 109  26.522  11.398  20.655
  859   1HB   ALA 109          1HB       ALA 109  24.822  10.487  22.048
  860   2HB   ALA 109          2HB       ALA 109  25.911   9.252  22.677
  861   3HB   ALA 109          3HB       ALA 109  25.381   9.188  20.996
  862    H    GLU 110           H        GLU 110  28.086  12.899  21.407
  863    HA   GLU 110           HA       GLU 110  28.366  12.947  24.341
  864   1HB   GLU 110          2HB       GLU 110  30.455  12.662  22.712
  865   2HB   GLU 110          1HB       GLU 110  30.314  14.413  22.630
  866   1HG   GLU 110          2HG       GLU 110  30.942  14.708  24.793
  867   2HG   GLU 110          1HG       GLU 110  30.281  13.159  25.314
  Start of MODEL    9
    1   1H    MET   1          1HT       MET   1 -25.086 -13.757   2.227
    2   2H    MET   1          2HT       MET   1 -24.282 -13.863   0.714
    3   3H    MET   1          3HT       MET   1 -24.668 -15.291   1.586
    4    HA   MET   1           HA       MET   1 -26.116 -14.783  -0.325
    5   1HB   MET   1          2HB       MET   1 -27.118 -15.092   2.499
    6   2HB   MET   1          1HB       MET   1 -28.207 -15.173   1.121
    7   1HG   MET   1          2HG       MET   1 -26.328 -16.919   0.327
    8   2HG   MET   1          1HG       MET   1 -26.205 -17.108   2.075
    9   1HE   MET   1          1HE       MET   1 -28.021 -19.951   2.336
   10   2HE   MET   1          2HE       MET   1 -26.509 -19.353   1.653
   11   3HE   MET   1          3HE       MET   1 -27.731 -20.067   0.601
   12    H    SER   2           H        SER   2 -26.339 -12.862  -1.355
   13    HA   SER   2           HA       SER   2 -28.017 -10.844  -0.026
   14   1HB   SER   2          2HB       SER   2 -25.977  -9.903  -1.981
   15   2HB   SER   2          1HB       SER   2 -26.628  -9.094  -0.556
   16    HG   SER   2           HG       SER   2 -25.404 -10.745   0.659
   17    H    ARG   3           H        ARG   3 -29.180  -9.432  -1.525
   18    HA   ARG   3           HA       ARG   3 -30.216 -10.956  -3.751
   19   1HB   ARG   3          2HB       ARG   3 -30.996  -8.157  -2.939
   20   2HB   ARG   3          1HB       ARG   3 -31.937  -9.304  -3.883
   21   1HG   ARG   3          2HG       ARG   3 -31.201 -10.301  -1.243
   22   2HG   ARG   3          1HG       ARG   3 -32.200  -8.847  -1.202
   23   1HD   ARG   3          2HD       ARG   3 -33.646 -10.754  -1.177
   24   2HD   ARG   3          1HD       ARG   3 -33.789  -9.973  -2.751
   25    HE   ARG   3           HE       ARG   3 -31.921 -11.850  -3.208
   26   1HH1  ARG   3          1HH1      ARG   3 -35.072 -12.002  -1.713
   27   2HH1  ARG   3          2HH1      ARG   3 -35.362 -13.638  -2.200
   28   1HH2  ARG   3          1HH2      ARG   3 -32.303 -14.001  -3.850
   29   2HH2  ARG   3          2HH2      ARG   3 -33.790 -14.772  -3.413
   30    H    SER   4           H        SER   4 -28.736  -7.742  -3.334
   31    HA   SER   4           HA       SER   4 -28.046  -7.790  -6.199
   32   1HB   SER   4          2HB       SER   4 -28.034  -5.358  -6.143
   33   2HB   SER   4          1HB       SER   4 -29.574  -5.950  -5.522
   34    HG   SER   4           HG       SER   4 -27.362  -5.014  -4.011
   35    H    ASN   5           H        ASN   5 -26.115  -6.013  -6.448
   36    HA   ASN   5           HA       ASN   5 -23.988  -6.950  -4.635
   37   1HB   ASN   5          2HB       ASN   5 -23.920  -6.349  -7.591
   38   2HB   ASN   5          1HB       ASN   5 -22.456  -6.483  -6.620
   39   1HD2  ASN   5          1HD2      ASN   5 -22.548  -8.539  -5.155
   40   2HD2  ASN   5          2HD2      ASN   5 -22.953  -9.995  -5.994
   41    H    ARG   6           H        ARG   6 -22.139  -5.447  -4.413
   42    HA   ARG   6           HA       ARG   6 -22.357  -2.716  -5.117
   43   1HB   ARG   6          2HB       ARG   6 -23.726  -3.556  -2.694
   44   2HB   ARG   6          1HB       ARG   6 -22.493  -2.349  -2.357
   45   1HG   ARG   6          2HG       ARG   6 -23.541  -0.730  -3.628
   46   2HG   ARG   6          1HG       ARG   6 -24.443  -1.914  -4.576
   47   1HD   ARG   6          2HD       ARG   6 -25.265  -2.341  -1.956
   48   2HD   ARG   6          1HD       ARG   6 -25.157  -0.588  -2.102
   49    HE   ARG   6           HE       ARG   6 -26.520  -1.216  -4.307
   50   1HH1  ARG   6          1HH1      ARG   6 -26.940  -2.246  -0.996
   51   2HH1  ARG   6          2HH1      ARG   6 -28.649  -2.471  -1.153
   52   1HH2  ARG   6          1HH2      ARG   6 -28.769  -1.509  -4.510
   53   2HH2  ARG   6          2HH2      ARG   6 -29.687  -2.052  -3.146
   54    H    GLN   7           H        GLN   7 -20.485  -1.593  -4.686
   55    HA   GLN   7           HA       GLN   7 -18.286  -1.273  -4.210
   56   1HB   GLN   7          2HB       GLN   7 -19.426  -1.901  -1.842
   57   2HB   GLN   7          1HB       GLN   7 -18.248  -3.201  -1.965
   58   1HG   GLN   7          2HG       GLN   7 -16.484  -1.493  -2.319
   59   2HG   GLN   7          1HG       GLN   7 -17.695  -0.245  -2.026
   60   1HE2  GLN   7          1HE2      GLN   7 -16.708  -3.304  -0.508
   61   2HE2  GLN   7          2HE2      GLN   7 -16.636  -2.678   1.101
   62    H    LYS   8           H        LYS   8 -16.204  -2.221  -4.436
   63    HA   LYS   8           HA       LYS   8 -16.300  -4.934  -5.573
   64   1HB   LYS   8          2HB       LYS   8 -15.626  -3.022  -7.071
   65   2HB   LYS   8          1HB       LYS   8 -14.200  -2.819  -6.063
   66   1HG   LYS   8          2HG       LYS   8 -14.304  -5.541  -6.772
   67   2HG   LYS   8          1HG       LYS   8 -14.630  -4.615  -8.238
   68   1HD   LYS   8          2HD       LYS   8 -12.409  -3.670  -6.523
   69   2HD   LYS   8          1HD       LYS   8 -12.155  -5.185  -7.393
   70   1HE   LYS   8          2HE       LYS   8 -11.346  -3.400  -8.763
   71   2HE   LYS   8          1HE       LYS   8 -12.832  -4.015  -9.487
   72   1HZ   LYS   8          1HZ       LYS   8 -14.036  -2.161  -8.692
   73   2HZ   LYS   8          2HZ       LYS   8 -12.627  -1.539  -9.390
   74   3HZ   LYS   8          3HZ       LYS   8 -12.761  -1.645  -7.707
   75    H    GLU   9           H        GLU   9 -14.694  -6.437  -5.045
   76    HA   GLU   9           HA       GLU   9 -13.427  -5.952  -2.455
   77   1HB   GLU   9          2HB       GLU   9 -14.567  -8.255  -3.793
   78   2HB   GLU   9          1HB       GLU   9 -12.941  -8.602  -3.221
   79   1HG   GLU   9          2HG       GLU   9 -13.683  -7.689  -0.981
   80   2HG   GLU   9          1HG       GLU   9 -15.325  -7.732  -1.620
   81    H    TYR  10           H        TYR  10 -11.235  -6.125  -2.104
   82    HA   TYR  10           HA       TYR  10  -9.559  -6.217  -4.530
   83   1HB   TYR  10          2HB       TYR  10  -9.183  -4.742  -1.919
   84   2HB   TYR  10          1HB       TYR  10  -7.903  -4.917  -3.116
   85    HD1  TYR  10           1HD      TYR  10  -8.125  -3.840  -5.332
   86    HD2  TYR  10           2HD      TYR  10 -10.981  -3.199  -2.244
   87    HE1  TYR  10           1HE      TYR  10  -8.982  -1.878  -6.540
   88    HE2  TYR  10           2HE      TYR  10 -11.844  -1.233  -3.443
   89    HH   TYR  10           HH       TYR  10 -11.857  -0.496  -5.999
   90    H    LYS  11           H        LYS  11  -7.419  -7.180  -4.305
   91    HA   LYS  11           HA       LYS  11  -7.235  -9.118  -2.106
   92   1HB   LYS  11          2HB       LYS  11  -7.127  -9.612  -5.050
   93   2HB   LYS  11          1HB       LYS  11  -6.146 -10.611  -3.985
   94   1HG   LYS  11          2HG       LYS  11  -8.841 -10.396  -2.990
   95   2HG   LYS  11          1HG       LYS  11  -8.825 -10.975  -4.657
   96   1HD   LYS  11          2HD       LYS  11  -7.109 -12.143  -2.473
   97   2HD   LYS  11          1HD       LYS  11  -8.705 -12.766  -2.895
   98   1HE   LYS  11          2HE       LYS  11  -8.004 -13.471  -5.004
   99   2HE   LYS  11          1HE       LYS  11  -6.579 -12.431  -4.980
  100   1HZ   LYS  11          1HZ       LYS  11  -5.506 -14.280  -4.391
  101   2HZ   LYS  11          2HZ       LYS  11  -6.921 -15.099  -3.957
  102   3HZ   LYS  11          3HZ       LYS  11  -6.178 -14.052  -2.855
  103    H    CYS  12           H        CYS  12  -5.078  -9.947  -1.722
  104    HA   CYS  12           HA       CYS  12  -3.151  -7.992  -1.432
  105   1HB   CYS  12          2HB       CYS  12  -3.412 -10.602  -0.652
  106   2HB   CYS  12          1HB       CYS  12  -2.062 -10.704  -1.778
  107    HG   CYS  12           HG       CYS  12  -2.006  -9.381   0.976
  108    H    GLY  13           H        GLY  13  -1.598  -7.117  -2.714
  109   1HA   GLY  13          2HA       GLY  13   0.048  -7.161  -4.412
  110   2HA   GLY  13          1HA       GLY  13  -0.782  -8.525  -5.143
  111    H    ASP  14           H        ASP  14  -3.300  -6.665  -4.592
  112    HA   ASP  14           HA       ASP  14  -3.477  -5.751  -7.280
  113   1HB   ASP  14          2HB       ASP  14  -5.340  -6.432  -5.517
  114   2HB   ASP  14          1HB       ASP  14  -5.324  -4.702  -5.183
  115    H    LEU  15           H        LEU  15  -3.245  -3.739  -8.139
  116    HA   LEU  15           HA       LEU  15  -1.907  -1.759  -6.468
  117   1HB   LEU  15          2HB       LEU  15  -2.391  -1.781  -9.450
  118   2HB   LEU  15          1HB       LEU  15  -1.410  -0.616  -8.582
  119    HG   LEU  15           HG       LEU  15  -0.825  -3.559  -8.911
  120   1HD1  LEU  15          1HD1      LEU  15  -0.422  -1.631 -10.731
  121   2HD1  LEU  15          2HD1      LEU  15   0.658  -3.010 -10.523
  122   3HD1  LEU  15          3HD1      LEU  15   1.056  -1.459  -9.784
  123   1HD2  LEU  15          1HD2      LEU  15  -0.183  -2.609  -6.679
  124   2HD2  LEU  15          2HD2      LEU  15   0.874  -1.487  -7.536
  125   3HD2  LEU  15          3HD2      LEU  15   1.159  -3.224  -7.642
  126    H    VAL  16           H        VAL  16  -3.026  -0.213  -5.524
  127    HA   VAL  16           HA       VAL  16  -5.315   0.955  -6.928
  128    HB   VAL  16           HB       VAL  16  -6.617   1.015  -4.818
  129   1HG1  VAL  16          1HG1      VAL  16  -5.961  -1.439  -6.317
  130   2HG1  VAL  16          2HG1      VAL  16  -7.509  -0.630  -6.079
  131   3HG1  VAL  16          3HG1      VAL  16  -6.846  -1.660  -4.810
  132   1HG2  VAL  16          1HG2      VAL  16  -4.175   0.059  -3.721
  133   2HG2  VAL  16          2HG2      VAL  16  -5.420  -1.158  -3.443
  134   3HG2  VAL  16          3HG2      VAL  16  -5.663   0.497  -2.883
  135    H    PHE  17           H        PHE  17  -6.139   2.910  -5.677
  136    HA   PHE  17           HA       PHE  17  -3.834   4.472  -4.686
  137   1HB   PHE  17          2HB       PHE  17  -6.218   5.244  -6.355
  138   2HB   PHE  17          1HB       PHE  17  -5.374   6.450  -5.394
  139    HD1  PHE  17           1HD      PHE  17  -2.690   6.280  -5.707
  140    HD2  PHE  17           2HD      PHE  17  -5.627   5.098  -8.542
  141    HE1  PHE  17           1HE      PHE  17  -1.054   6.572  -7.517
  142    HE2  PHE  17           2HE      PHE  17  -4.002   5.388 -10.359
  143    HZ   PHE  17           HZ       PHE  17  -1.709   6.125  -9.857
  144    H    ALA  18           H        ALA  18  -4.041   5.488  -2.712
  145    HA   ALA  18           HA       ALA  18  -6.605   5.096  -1.319
  146   1HB   ALA  18          1HB       ALA  18  -3.889   4.482  -0.551
  147   2HB   ALA  18          2HB       ALA  18  -5.409   3.992   0.195
  148   3HB   ALA  18          3HB       ALA  18  -4.671   5.533   0.631
  149    H    LYS  19           H        LYS  19  -7.676   6.841  -0.688
  150    HA   LYS  19           HA       LYS  19  -6.430   9.446  -1.009
  151   1HB   LYS  19          2HB       LYS  19  -8.686   8.988  -1.952
  152   2HB   LYS  19          1HB       LYS  19  -9.291   8.768  -0.316
  153   1HG   LYS  19          2HG       LYS  19  -9.880  10.934  -0.640
  154   2HG   LYS  19          1HG       LYS  19  -8.255  11.180   0.005
  155   1HD   LYS  19          2HD       LYS  19  -7.371  11.377  -2.254
  156   2HD   LYS  19          1HD       LYS  19  -8.974  11.069  -2.924
  157   1HE   LYS  19          2HE       LYS  19  -8.970  13.346  -3.009
  158   2HE   LYS  19          1HE       LYS  19  -9.612  13.122  -1.383
  159   1HZ   LYS  19          1HZ       LYS  19  -7.102  13.201  -0.748
  160   2HZ   LYS  19          2HZ       LYS  19  -7.959  14.636  -1.010
  161   3HZ   LYS  19          3HZ       LYS  19  -6.947  14.024  -2.219
  162    H    MET  20           H        MET  20  -5.959  10.836   0.581
  163    HA   MET  20           HA       MET  20  -6.708  10.112   3.332
  164   1HB   MET  20          2HB       MET  20  -4.031  10.387   2.173
  165   2HB   MET  20          1HB       MET  20  -4.265  11.353   3.624
  166   1HG   MET  20          2HG       MET  20  -5.295   9.056   4.490
  167   2HG   MET  20          1HG       MET  20  -4.176   8.420   3.285
  168   1HE   MET  20          1HE       MET  20  -1.038   8.159   5.157
  169   2HE   MET  20          2HE       MET  20  -1.737   8.205   3.539
  170   3HE   MET  20          3HE       MET  20  -2.449   7.172   4.779
  171    H    LYS  21           H        LYS  21  -6.883  11.873   4.797
  172    HA   LYS  21           HA       LYS  21  -7.962  14.227   3.649
  173   1HB   LYS  21          2HB       LYS  21  -7.590  13.114   6.331
  174   2HB   LYS  21          1HB       LYS  21  -7.475  14.868   6.286
  175   1HG   LYS  21          2HG       LYS  21  -9.666  15.130   5.889
  176   2HG   LYS  21          1HG       LYS  21  -9.736  13.751   4.790
  177   1HD   LYS  21          2HD       LYS  21  -9.502  13.455   7.777
  178   2HD   LYS  21          1HD       LYS  21 -11.053  13.533   6.940
  179   1HE   LYS  21          2HE       LYS  21 -10.403  11.585   5.592
  180   2HE   LYS  21          1HE       LYS  21  -8.875  11.500   6.467
  181   1HZ   LYS  21          1HZ       LYS  21  -9.879  10.701   8.329
  182   2HZ   LYS  21          2HZ       LYS  21 -10.939  10.066   7.173
  183   3HZ   LYS  21          3HZ       LYS  21 -11.356  11.469   8.021
  184    H    GLY  22           H        GLY  22  -6.881  15.888   2.819
  185   1HA   GLY  22          2HA       GLY  22  -5.404  17.721   2.962
  186   2HA   GLY  22          1HA       GLY  22  -4.482  16.853   4.179
  187    H    TYR  23           H        TYR  23  -4.863  14.542   1.985
  188    HA   TYR  23           HA       TYR  23  -2.654  15.434   0.252
  189   1HB   TYR  23          2HB       TYR  23  -2.731  12.599   1.222
  190   2HB   TYR  23          1HB       TYR  23  -1.361  13.546   0.654
  191    HD1  TYR  23           1HD      TYR  23  -2.395  11.931   3.403
  192    HD2  TYR  23           2HD      TYR  23  -1.274  15.874   2.278
  193    HE1  TYR  23           1HE      TYR  23  -1.769  12.409   5.732
  194    HE2  TYR  23           2HE      TYR  23  -0.640  16.364   4.603
  195    HH   TYR  23           HH       TYR  23   0.015  15.170   6.624
  196    HA   PRO  24           HA       PRO  24  -5.081  13.611  -2.955
  197   1HB   PRO  24          2HB       PRO  24  -3.284  13.431  -4.918
  198   2HB   PRO  24          1HB       PRO  24  -3.769  15.005  -4.273
  199   1HG   PRO  24          2HG       PRO  24  -1.302  13.408  -3.715
  200   2HG   PRO  24          1HG       PRO  24  -1.475  15.154  -3.957
  201   1HD   PRO  24          2HD       PRO  24  -1.297  13.904  -1.492
  202   2HD   PRO  24          1HD       PRO  24  -1.989  15.515  -1.765
  203    H    HIS  25           H        HIS  25  -5.233  11.753  -4.444
  204    HA   HIS  25           HA       HIS  25  -4.988   9.298  -3.249
  205   1HB   HIS  25          2HB       HIS  25  -4.918   9.974  -6.197
  206   2HB   HIS  25          1HB       HIS  25  -5.129   8.346  -5.568
  207    HD1  HIS  25           1HD      HIS  25  -6.883  11.665  -5.791
  208    HD2  HIS  25           2HD      HIS  25  -7.685   7.738  -4.693
  209    HE1  HIS  25           1HE      HIS  25  -9.377  11.545  -5.501
  210    HE2  HIS  25           2HE      HIS  25  -9.830   9.183  -4.747
  211    H    TRP  26           H        TRP  26  -3.213   8.260  -2.541
  212    HA   TRP  26           HA       TRP  26  -0.643   8.729  -3.866
  213   1HB   TRP  26          2HB       TRP  26  -1.188   8.865  -1.274
  214   2HB   TRP  26          1HB       TRP  26  -0.889   7.133  -1.356
  215    HD1  TRP  26           HD       TRP  26   1.641   6.450  -2.368
  216    HE1  TRP  26           1HE      TRP  26   3.893   7.624  -1.919
  217    HE3  TRP  26           3HE      TRP  26  -0.091  11.012  -0.834
  218    HZ2  TRP  26           2HZ      TRP  26   4.801  10.148  -1.041
  219    HZ3  TRP  26           3HZ      TRP  26   1.522  12.744  -0.212
  220    HH2  TRP  26           HH       TRP  26   3.909  12.318  -0.315
  221    HA   PRO  27           HA       PRO  27  -0.841   4.791  -5.984
  222   1HB   PRO  27          2HB       PRO  27   1.926   4.430  -6.092
  223   2HB   PRO  27          1HB       PRO  27   0.956   5.286  -7.294
  224   1HG   PRO  27          2HG       PRO  27   2.579   6.378  -5.041
  225   2HG   PRO  27          1HG       PRO  27   2.345   7.024  -6.676
  226   1HD   PRO  27          2HD       PRO  27   1.080   8.083  -4.567
  227   2HD   PRO  27          1HD       PRO  27   0.278   7.947  -6.147
  228    H    ALA  28           H        ALA  28  -1.377   3.020  -4.878
  229    HA   ALA  28           HA       ALA  28   0.516   1.972  -2.903
  230   1HB   ALA  28          1HB       ALA  28  -1.749   3.396  -2.184
  231   2HB   ALA  28          2HB       ALA  28  -0.768   2.367  -1.139
  232   3HB   ALA  28          3HB       ALA  28  -2.191   1.706  -1.943
  233    H    ARG  29           H        ARG  29  -0.341  -0.172  -2.007
  234    HA   ARG  29           HA       ARG  29  -1.814  -1.746  -3.979
  235   1HB   ARG  29          2HB       ARG  29   0.584  -1.932  -4.571
  236   2HB   ARG  29          1HB       ARG  29   0.924  -2.516  -2.949
  237   1HG   ARG  29          2HG       ARG  29  -0.785  -4.371  -3.512
  238   2HG   ARG  29          1HG       ARG  29  -0.508  -3.886  -5.184
  239   1HD   ARG  29          2HD       ARG  29   2.024  -4.105  -3.963
  240   2HD   ARG  29          1HD       ARG  29   1.100  -5.527  -3.483
  241    HE   ARG  29           HE       ARG  29   1.074  -4.861  -6.310
  242   1HH1  ARG  29          1HH1      ARG  29   2.465  -6.802  -3.759
  243   2HH1  ARG  29          2HH1      ARG  29   3.068  -8.011  -4.841
  244   1HH2  ARG  29          1HH2      ARG  29   1.871  -6.449  -7.729
  245   2HH2  ARG  29          2HH2      ARG  29   2.733  -7.810  -7.093
  246    H    ILE  30           H        ILE  30  -2.587  -3.796  -3.104
  247    HA   ILE  30           HA       ILE  30  -3.267  -3.588  -0.306
  248    HB   ILE  30           HB       ILE  30  -3.829  -5.894  -2.175
  249   1HG1  ILE  30          2HG1      ILE  30  -4.667  -3.755  -3.096
  250   2HG1  ILE  30          1HG1      ILE  30  -5.975  -4.842  -2.639
  251   1HG2  ILE  30          1HG2      ILE  30  -4.501  -6.789  -0.228
  252   2HG2  ILE  30          2HG2      ILE  30  -5.908  -5.746  -0.435
  253   3HG2  ILE  30          3HG2      ILE  30  -4.567  -5.226   0.585
  254   1HD1  ILE  30          1HD1      ILE  30  -5.025  -2.389  -1.196
  255   2HD1  ILE  30          2HD1      ILE  30  -6.129  -3.564  -0.481
  256   3HD1  ILE  30          3HD1      ILE  30  -6.599  -2.681  -1.934
  257    H    ASP  31           H        ASP  31  -2.458  -4.805   1.378
  258    HA   ASP  31           HA       ASP  31  -0.318  -6.699   0.696
  259   1HB   ASP  31          2HB       ASP  31   0.102  -4.311   1.907
  260   2HB   ASP  31          1HB       ASP  31  -0.119  -5.351   3.310
  261    H    GLU  32           H        GLU  32  -3.184  -6.146   2.541
  262    HA   GLU  32           HA       GLU  32  -3.237  -8.893   3.352
  263   1HB   GLU  32          2HB       GLU  32  -2.031  -7.086   5.127
  264   2HB   GLU  32          1HB       GLU  32  -3.635  -7.383   5.782
  265   1HG   GLU  32          2HG       GLU  32  -2.947  -9.897   5.262
  266   2HG   GLU  32          1HG       GLU  32  -1.335  -9.216   5.477
  267    H    MET  33           H        MET  33  -5.262  -9.568   4.130
  268    HA   MET  33           HA       MET  33  -7.438  -7.766   3.402
  269   1HB   MET  33          2HB       MET  33  -7.333 -10.736   3.933
  270   2HB   MET  33          1HB       MET  33  -8.832  -9.863   3.644
  271   1HG   MET  33          2HG       MET  33  -6.561  -9.763   1.694
  272   2HG   MET  33          1HG       MET  33  -7.738 -11.076   1.681
  273   1HE   MET  33          1HE       MET  33  -7.033  -7.397   1.475
  274   2HE   MET  33          2HE       MET  33  -8.279  -6.746   0.411
  275   3HE   MET  33          3HE       MET  33  -7.043  -7.825  -0.237
  276    HA   PRO  34           HA       PRO  34  -8.713  -7.267   7.621
  277   1HB   PRO  34          2HB       PRO  34 -11.274  -6.597   7.332
  278   2HB   PRO  34          1HB       PRO  34  -9.993  -5.578   6.664
  279   1HG   PRO  34          2HG       PRO  34 -11.806  -7.495   5.276
  280   2HG   PRO  34          1HG       PRO  34 -11.186  -5.932   4.720
  281   1HD   PRO  34          2HD       PRO  34 -10.163  -8.449   4.035
  282   2HD   PRO  34          1HD       PRO  34  -9.342  -6.895   3.806
  283    H    GLU  35           H        GLU  35  -8.711  -9.001   8.903
  284    HA   GLU  35           HA       GLU  35  -9.999 -11.407   8.538
  285   1HB   GLU  35          2HB       GLU  35  -9.878 -11.497  11.148
  286   2HB   GLU  35          1HB       GLU  35  -8.403 -11.495  10.192
  287   1HG   GLU  35          2HG       GLU  35  -9.206  -8.803  10.792
  288   2HG   GLU  35          1HG       GLU  35  -9.100  -9.760  12.267
  289    H    ALA  36           H        ALA  36 -11.098  -9.723  11.384
  290    HA   ALA  36           HA       ALA  36 -13.676  -9.027  10.500
  291   1HB   ALA  36          1HB       ALA  36 -13.428 -11.715  11.840
  292   2HB   ALA  36          2HB       ALA  36 -14.106 -11.362  10.250
  293   3HB   ALA  36          3HB       ALA  36 -14.942 -10.821  11.706
  294    H    ALA  37           H        ALA  37 -12.028 -10.457  13.290
  295    HA   ALA  37           HA       ALA  37 -12.031  -8.115  14.840
  296   1HB   ALA  37          1HB       ALA  37 -13.822  -8.292  16.253
  297   2HB   ALA  37          2HB       ALA  37 -13.953 -10.038  16.047
  298   3HB   ALA  37          3HB       ALA  37 -14.537  -8.954  14.784
  299    H    VAL  38           H        VAL  38  -9.888  -9.219  14.691
  300    HA   VAL  38           HA       VAL  38  -9.496 -10.884  17.062
  301    HB   VAL  38           HB       VAL  38  -7.856 -12.301  15.707
  302   1HG1  VAL  38          1HG1      VAL  38  -9.930 -13.583  14.646
  303   2HG1  VAL  38          2HG1      VAL  38 -10.814 -12.467  15.684
  304   3HG1  VAL  38          3HG1      VAL  38  -9.622 -13.562  16.383
  305   1HG2  VAL  38          1HG2      VAL  38  -7.988 -12.397  13.389
  306   2HG2  VAL  38          2HG2      VAL  38  -8.089 -10.667  13.716
  307   3HG2  VAL  38          3HG2      VAL  38  -9.551 -11.581  13.343
  308    H    LYS  39           H        LYS  39  -8.862  -8.089  16.035
  309    HA   LYS  39           HA       LYS  39  -6.209  -7.959  17.127
  310   1HB   LYS  39          2HB       LYS  39  -6.694  -7.346  14.211
  311   2HB   LYS  39          1HB       LYS  39  -5.326  -6.691  15.097
  312   1HG   LYS  39          2HG       LYS  39  -5.899  -9.620  14.695
  313   2HG   LYS  39          1HG       LYS  39  -4.735  -8.665  13.780
  314   1HD   LYS  39          2HD       LYS  39  -4.469  -8.574  16.720
  315   2HD   LYS  39          1HD       LYS  39  -4.084 -10.113  15.949
  316   1HE   LYS  39          2HE       LYS  39  -2.057  -8.904  16.041
  317   2HE   LYS  39          1HE       LYS  39  -2.609  -8.805  14.369
  318   1HZ   LYS  39          1HZ       LYS  39  -2.971  -6.600  14.525
  319   2HZ   LYS  39          2HZ       LYS  39  -1.826  -6.696  15.767
  320   3HZ   LYS  39          3HZ       LYS  39  -3.476  -6.667  16.139
  321    H    SER  40           H        SER  40  -7.771  -5.790  14.802
  322    HA   SER  40           HA       SER  40  -9.076  -4.107  16.601
  323   1HB   SER  40          2HB       SER  40  -6.598  -3.772  17.280
  324   2HB   SER  40          1HB       SER  40  -6.459  -2.869  15.773
  325    HG   SER  40           HG       SER  40  -7.025  -1.651  17.747
  326    H    THR  41           H        THR  41  -9.569  -5.163  14.079
  327    HA   THR  41           HA       THR  41  -9.892  -2.703  12.511
  328    HB   THR  41           HB       THR  41  -9.424  -4.040  10.436
  329    HG1  THR  41           1HG      THR  41  -8.272  -5.883  12.251
  330   1HG2  THR  41          1HG2      THR  41  -7.214  -3.637  12.421
  331   2HG2  THR  41          2HG2      THR  41  -7.678  -2.602  11.071
  332   3HG2  THR  41          3HG2      THR  41  -6.932  -4.170  10.764
  333    H    ALA  42           H        ALA  42 -11.953  -2.397  12.042
  334    HA   ALA  42           HA       ALA  42 -13.906  -4.468  12.436
  335   1HB   ALA  42          1HB       ALA  42 -15.360  -2.776  12.585
  336   2HB   ALA  42          2HB       ALA  42 -14.860  -2.104  11.032
  337   3HB   ALA  42          3HB       ALA  42 -13.961  -1.706  12.497
  338    H    ASN  43           H        ASN  43 -13.064  -2.436   9.655
  339    HA   ASN  43           HA       ASN  43 -13.118  -4.683   7.869
  340   1HB   ASN  43          2HB       ASN  43 -15.549  -3.640   8.216
  341   2HB   ASN  43          1HB       ASN  43 -14.945  -2.482   7.033
  342   1HD2  ASN  43          1HD2      ASN  43 -15.562  -2.963   5.068
  343   2HD2  ASN  43          2HD2      ASN  43 -15.718  -4.550   4.401
  344    H    LYS  44           H        LYS  44 -10.999  -3.245   8.512
  345    HA   LYS  44           HA       LYS  44 -10.630  -1.336   6.298
  346   1HB   LYS  44          2HB       LYS  44  -8.747  -1.396   8.602
  347   2HB   LYS  44          1HB       LYS  44  -9.292  -0.035   7.631
  348   1HG   LYS  44          2HG       LYS  44 -11.185   0.283   8.882
  349   2HG   LYS  44          1HG       LYS  44 -11.254  -1.401   9.410
  350   1HD   LYS  44          2HD       LYS  44  -9.345  -1.036  10.875
  351   2HD   LYS  44          1HD       LYS  44  -9.211   0.632  10.314
  352   1HE   LYS  44          2HE       LYS  44 -10.979   1.331  11.549
  353   2HE   LYS  44          1HE       LYS  44 -11.844  -0.195  11.370
  354   1HZ   LYS  44          1HZ       LYS  44 -10.949  -1.013  13.239
  355   2HZ   LYS  44          2HZ       LYS  44 -10.653   0.606  13.627
  356   3HZ   LYS  44          3HZ       LYS  44  -9.424  -0.339  12.952
  357    H    TYR  45           H        TYR  45  -8.949  -1.539   4.925
  358    HA   TYR  45           HA       TYR  45  -7.480  -4.077   4.998
  359   1HB   TYR  45          2HB       TYR  45  -7.777  -2.008   2.803
  360   2HB   TYR  45          1HB       TYR  45  -6.876  -3.513   2.653
  361    HD1  TYR  45           1HD      TYR  45  -7.977  -5.548   2.157
  362    HD2  TYR  45           2HD      TYR  45 -10.260  -2.093   3.132
  363    HE1  TYR  45           1HE      TYR  45 -10.027  -6.705   1.439
  364    HE2  TYR  45           2HE      TYR  45 -12.314  -3.241   2.416
  365    HH   TYR  45           HH       TYR  45 -12.371  -5.922   0.557
  366    H    GLN  46           H        GLN  46  -5.182  -4.116   4.596
  367    HA   GLN  46           HA       GLN  46  -3.816  -1.771   5.714
  368   1HB   GLN  46          2HB       GLN  46  -3.301  -4.671   5.703
  369   2HB   GLN  46          1HB       GLN  46  -1.875  -3.692   5.388
  370   1HG   GLN  46          2HG       GLN  46  -1.918  -2.709   7.468
  371   2HG   GLN  46          1HG       GLN  46  -3.640  -3.020   7.693
  372   1HE2  GLN  46          1HE2      GLN  46  -1.202  -3.640   9.322
  373   2HE2  GLN  46          2HE2      GLN  46  -1.320  -5.331   9.657
  374    H    VAL  47           H        VAL  47  -3.329  -0.348   4.184
  375    HA   VAL  47           HA       VAL  47  -2.502  -1.288   1.544
  376    HB   VAL  47           HB       VAL  47  -3.273   1.484   2.461
  377   1HG1  VAL  47          1HG1      VAL  47  -2.042   0.507   0.020
  378   2HG1  VAL  47          2HG1      VAL  47  -2.247   2.161   0.601
  379   3HG1  VAL  47          3HG1      VAL  47  -3.553   1.365  -0.281
  380   1HG2  VAL  47          1HG2      VAL  47  -5.275   0.975   0.943
  381   2HG2  VAL  47          2HG2      VAL  47  -5.236   0.223   2.537
  382   3HG2  VAL  47          3HG2      VAL  47  -4.799  -0.715   1.109
  383    H    PHE  48           H        PHE  48  -0.622  -0.740   0.582
  384    HA   PHE  48           HA       PHE  48   1.460   0.382   2.334
  385   1HB   PHE  48          2HB       PHE  48   1.635  -1.990   1.261
  386   2HB   PHE  48          1HB       PHE  48   2.038  -1.107  -0.210
  387    HD1  PHE  48           1HD      PHE  48   2.949  -0.763   3.393
  388    HD2  PHE  48           2HD      PHE  48   4.290  -1.111  -0.631
  389    HE1  PHE  48           1HE      PHE  48   5.275  -0.535   4.156
  390    HE2  PHE  48           2HE      PHE  48   6.621  -0.887   0.122
  391    HZ   PHE  48           HZ       PHE  48   7.117  -0.597   2.518
  392    H    PHE  49           H        PHE  49   2.146   2.345   1.902
  393    HA   PHE  49           HA       PHE  49   1.474   3.621  -0.640
  394   1HB   PHE  49          2HB       PHE  49   2.595   4.837   1.896
  395   2HB   PHE  49          1HB       PHE  49   2.004   5.717   0.488
  396    HD1  PHE  49           1HD      PHE  49   1.127   4.120   3.578
  397    HD2  PHE  49           2HD      PHE  49  -0.426   5.535  -0.120
  398    HE1  PHE  49           1HE      PHE  49  -1.141   4.095   4.526
  399    HE2  PHE  49           2HE      PHE  49  -2.693   5.524   0.825
  400    HZ   PHE  49           HZ       PHE  49  -3.055   4.800   3.149
  401    H    PHE  50           H        PHE  50   2.979   3.377  -2.192
  402    HA   PHE  50           HA       PHE  50   5.646   2.648  -1.776
  403   1HB   PHE  50          2HB       PHE  50   4.260   3.943  -4.125
  404   2HB   PHE  50          1HB       PHE  50   5.963   3.495  -4.167
  405    HD1  PHE  50           1HD      PHE  50   2.716   2.422  -4.884
  406    HD2  PHE  50           2HD      PHE  50   6.457   1.015  -3.421
  407    HE1  PHE  50           1HE      PHE  50   2.092   0.125  -5.505
  408    HE2  PHE  50           2HE      PHE  50   5.840  -1.284  -4.047
  409    HZ   PHE  50           HZ       PHE  50   3.655  -1.730  -5.089
  410    H    GLY  51           H        GLY  51   7.435   4.149  -2.934
  411   1HA   GLY  51          2HA       GLY  51   8.737   6.043  -2.793
  412   2HA   GLY  51          1HA       GLY  51   7.276   6.945  -2.414
  413    H    THR  52           H        THR  52   6.404   6.335  -0.121
  414    HA   THR  52           HA       THR  52   8.597   6.852   1.732
  415    HB   THR  52           HB       THR  52   6.851   7.436   3.330
  416    HG1  THR  52           1HG      THR  52   5.004   6.720   1.302
  417   1HG2  THR  52          1HG2      THR  52   6.541   9.448   2.459
  418   2HG2  THR  52          2HG2      THR  52   5.582   8.803   1.128
  419   3HG2  THR  52          3HG2      THR  52   7.341   8.850   1.006
  420    H    HIS  53           H        HIS  53   6.452   4.324   0.787
  421    HA   HIS  53           HA       HIS  53   6.248   2.152   1.420
  422   1HB   HIS  53          2HB       HIS  53   8.830   2.807   2.834
  423   2HB   HIS  53          1HB       HIS  53   8.104   1.206   2.891
  424    HD1  HIS  53           1HD      HIS  53  10.334   0.411   1.672
  425    HD2  HIS  53           2HD      HIS  53   7.846   2.885  -0.554
  426    HE1  HIS  53           1HE      HIS  53  11.096   0.163  -0.711
  427    HE2  HIS  53           2HE      HIS  53   9.510   1.589  -2.050
  428    H    GLU  54           H        GLU  54   4.845   4.172   2.814
  429    HA   GLU  54           HA       GLU  54   4.849   3.307   5.612
  430   1HB   GLU  54          2HB       GLU  54   3.131   5.432   4.324
  431   2HB   GLU  54          1HB       GLU  54   3.410   5.187   6.043
  432   1HG   GLU  54          2HG       GLU  54   5.585   6.012   5.931
  433   2HG   GLU  54          1HG       GLU  54   5.670   5.816   4.181
  434    H    THR  55           H        THR  55   2.818   2.671   6.661
  435    HA   THR  55           HA       THR  55   0.850   1.590   4.780
  436    HB   THR  55           HB       THR  55   2.536  -0.131   5.651
  437    HG1  THR  55           1HG      THR  55   0.858  -1.069   4.742
  438   1HG2  THR  55          1HG2      THR  55   0.923  -0.787   7.921
  439   2HG2  THR  55          2HG2      THR  55   1.679   0.793   8.127
  440   3HG2  THR  55          3HG2      THR  55   2.675  -0.623   7.793
  441    H    ALA  56           H        ALA  56  -1.228   1.326   5.505
  442    HA   ALA  56           HA       ALA  56  -1.970   2.208   8.164
  443   1HB   ALA  56          1HB       ALA  56  -3.340   3.742   6.037
  444   2HB   ALA  56          2HB       ALA  56  -1.684   4.207   6.426
  445   3HB   ALA  56          3HB       ALA  56  -2.920   4.210   7.685
  446    H    PHE  57           H        PHE  57  -4.458   2.236   8.363
  447    HA   PHE  57           HA       PHE  57  -5.472  -0.068   6.862
  448   1HB   PHE  57          2HB       PHE  57  -6.180   1.010   9.588
  449   2HB   PHE  57          1HB       PHE  57  -7.151  -0.209   8.767
  450    HD1  PHE  57           1HD      PHE  57  -3.729   0.477  10.029
  451    HD2  PHE  57           2HD      PHE  57  -6.598  -2.463   8.920
  452    HE1  PHE  57           1HE      PHE  57  -2.266  -1.285  10.931
  453    HE2  PHE  57           2HE      PHE  57  -5.142  -4.230   9.820
  454    HZ   PHE  57           HZ       PHE  57  -2.973  -3.642  10.827
  455    H    LEU  58           H        LEU  58  -6.165   1.108   5.054
  456    HA   LEU  58           HA       LEU  58  -8.257   3.101   5.506
  457   1HB   LEU  58          2HB       LEU  58  -6.318   2.555   3.370
  458   2HB   LEU  58          1HB       LEU  58  -7.917   2.991   2.795
  459    HG   LEU  58           HG       LEU  58  -6.924   4.760   4.906
  460   1HD1  LEU  58          1HD1      LEU  58  -5.487   5.921   3.030
  461   2HD1  LEU  58          2HD1      LEU  58  -5.309   4.261   2.460
  462   3HD1  LEU  58          3HD1      LEU  58  -4.793   4.694   4.090
  463   1HD2  LEU  58          1HD2      LEU  58  -8.946   5.103   3.480
  464   2HD2  LEU  58          2HD2      LEU  58  -7.867   5.348   2.106
  465   3HD2  LEU  58          3HD2      LEU  58  -7.813   6.455   3.479
  466    H    GLY  59           H        GLY  59 -10.244   3.015   4.274
  467   1HA   GLY  59          2HA       GLY  59 -11.223   0.273   4.077
  468   2HA   GLY  59          1HA       GLY  59 -12.205   1.730   4.099
  469    HA   PRO  60           HA       PRO  60 -11.555   0.025  -0.300
  470   1HB   PRO  60          2HB       PRO  60 -14.125  -0.758  -0.762
  471   2HB   PRO  60          1HB       PRO  60 -12.884  -1.837  -0.114
  472   1HG   PRO  60          2HG       PRO  60 -15.030  -0.333   1.332
  473   2HG   PRO  60          1HG       PRO  60 -14.480  -2.002   1.569
  474   1HD   PRO  60          2HD       PRO  60 -13.703   0.015   3.188
  475   2HD   PRO  60          1HD       PRO  60 -12.641  -1.354   2.805
  476    H    LYS  61           H        LYS  61 -13.818   2.094   1.353
  477    HA   LYS  61           HA       LYS  61 -14.983   3.311  -0.926
  478   1HB   LYS  61          2HB       LYS  61 -15.541   5.161   0.707
  479   2HB   LYS  61          1HB       LYS  61 -16.124   3.561   1.143
  480   1HG   LYS  61          2HG       LYS  61 -15.125   3.752   3.105
  481   2HG   LYS  61          1HG       LYS  61 -13.563   3.838   2.289
  482   1HD   LYS  61          2HD       LYS  61 -13.702   5.781   3.627
  483   2HD   LYS  61          1HD       LYS  61 -14.019   6.311   1.974
  484   1HE   LYS  61          2HE       LYS  61 -16.335   6.504   2.374
  485   2HE   LYS  61          1HE       LYS  61 -16.227   5.599   3.883
  486   1HZ   LYS  61          1HZ       LYS  61 -14.673   7.562   4.549
  487   2HZ   LYS  61          2HZ       LYS  61 -16.352   7.735   4.648
  488   3HZ   LYS  61          3HZ       LYS  61 -15.512   8.392   3.335
  489    H    ASP  62           H        ASP  62 -11.999   3.744   0.781
  490    HA   ASP  62           HA       ASP  62 -11.404   6.187  -0.732
  491   1HB   ASP  62          2HB       ASP  62 -10.064   4.906   1.653
  492   2HB   ASP  62          1HB       ASP  62  -9.375   6.275   0.785
  493    H    LEU  63           H        LEU  63 -11.323   3.145  -1.504
  494    HA   LEU  63           HA       LEU  63  -8.586   3.132  -2.569
  495   1HB   LEU  63          2HB       LEU  63 -10.416   1.047  -1.582
  496   2HB   LEU  63          1HB       LEU  63  -9.564   0.630  -3.056
  497    HG   LEU  63           HG       LEU  63  -7.431   0.928  -1.975
  498   1HD1  LEU  63          1HD1      LEU  63  -8.468   2.777  -0.430
  499   2HD1  LEU  63          2HD1      LEU  63  -7.075   1.834   0.093
  500   3HD1  LEU  63          3HD1      LEU  63  -8.687   1.421   0.675
  501   1HD2  LEU  63          1HD2      LEU  63  -7.961  -0.691   0.086
  502   2HD2  LEU  63          2HD2      LEU  63  -7.939  -1.240  -1.590
  503   3HD2  LEU  63          3HD2      LEU  63  -9.472  -0.855  -0.808
  504    H    PHE  64           H        PHE  64  -8.236   3.054  -4.733
  505    HA   PHE  64           HA       PHE  64 -10.545   2.716  -6.519
  506   1HB   PHE  64          2HB       PHE  64  -8.469   4.881  -6.907
  507   2HB   PHE  64          1HB       PHE  64  -9.952   4.640  -7.826
  508    HD1  PHE  64           1HD      PHE  64  -8.880   5.195  -4.291
  509    HD2  PHE  64           2HD      PHE  64 -11.722   6.012  -7.351
  510    HE1  PHE  64           1HE      PHE  64 -10.064   6.729  -2.776
  511    HE2  PHE  64           2HE      PHE  64 -12.911   7.550  -5.842
  512    HZ   PHE  64           HZ       PHE  64 -12.082   7.909  -3.551
  513    HA   PRO  65           HA       PRO  65  -7.785   0.230  -8.898
  514   1HB   PRO  65          2HB       PRO  65  -8.888   1.150 -11.424
  515   2HB   PRO  65          1HB       PRO  65  -9.103  -0.404 -10.623
  516   1HG   PRO  65          2HG       PRO  65 -11.100   1.431 -10.892
  517   2HG   PRO  65          1HG       PRO  65 -11.021   0.255  -9.568
  518   1HD   PRO  65          2HD       PRO  65 -10.299   3.157  -9.576
  519   2HD   PRO  65          1HD       PRO  65 -11.099   2.194  -8.315
  520    H    TYR  66           H        TYR  66  -5.726   0.857  -8.929
  521    HA   TYR  66           HA       TYR  66  -4.610   3.269  -9.487
  522   1HB   TYR  66          2HB       TYR  66  -3.324   1.474  -8.527
  523   2HB   TYR  66          1HB       TYR  66  -3.463   0.524 -10.002
  524    HD1  TYR  66           1HD      TYR  66  -1.889   0.751 -11.729
  525    HD2  TYR  66           2HD      TYR  66  -2.004   3.635  -8.603
  526    HE1  TYR  66           1HE      TYR  66   0.206   1.722 -12.563
  527    HE2  TYR  66           2HE      TYR  66   0.099   4.616  -9.427
  528    HH   TYR  66           HH       TYR  66   2.045   3.073 -11.799
  529    H    GLU  67           H        GLU  67  -4.749   0.615 -11.866
  530    HA   GLU  67           HA       GLU  67  -3.696   1.949 -14.037
  531   1HB   GLU  67          2HB       GLU  67  -5.870  -0.149 -13.993
  532   2HB   GLU  67          1HB       GLU  67  -5.017   0.360 -15.444
  533   1HG   GLU  67          2HG       GLU  67  -3.741  -1.425 -14.942
  534   2HG   GLU  67          1HG       GLU  67  -2.916  -0.247 -13.923
  535    H    GLU  68           H        GLU  68  -7.020   1.978 -12.887
  536    HA   GLU  68           HA       GLU  68  -8.095   3.425 -15.073
  537   1HB   GLU  68          2HB       GLU  68  -9.053   2.518 -12.437
  538   2HB   GLU  68          1HB       GLU  68  -9.875   3.917 -13.106
  539   1HG   GLU  68          2HG       GLU  68  -9.479   1.638 -14.933
  540   2HG   GLU  68          1HG       GLU  68 -10.609   1.395 -13.601
  541    H    SER  69           H        SER  69  -6.848   4.435 -11.912
  542    HA   SER  69           HA       SER  69  -7.412   7.220 -12.681
  543   1HB   SER  69          2HB       SER  69  -6.759   6.064  -9.963
  544   2HB   SER  69          1HB       SER  69  -7.096   7.762 -10.297
  545    HG   SER  69           HG       SER  69  -9.181   7.170 -10.941
  546    H    LYS  70           H        LYS  70  -4.991   5.265 -13.242
  547    HA   LYS  70           HA       LYS  70  -2.713   6.322 -12.055
  548   1HB   LYS  70          2HB       LYS  70  -3.201   4.344 -13.827
  549   2HB   LYS  70          1HB       LYS  70  -2.479   5.542 -14.892
  550   1HG   LYS  70          2HG       LYS  70  -0.527   5.655 -13.408
  551   2HG   LYS  70          1HG       LYS  70  -1.258   4.415 -12.389
  552   1HD   LYS  70          2HD       LYS  70   0.403   3.462 -13.919
  553   2HD   LYS  70          1HD       LYS  70  -1.215   2.840 -14.248
  554   1HE   LYS  70          2HE       LYS  70  -1.170   3.621 -16.331
  555   2HE   LYS  70          1HE       LYS  70  -0.703   5.230 -15.778
  556   1HZ   LYS  70          1HZ       LYS  70   1.370   3.180 -15.771
  557   2HZ   LYS  70          2HZ       LYS  70   1.476   4.825 -16.149
  558   3HZ   LYS  70          3HZ       LYS  70   0.857   3.736 -17.285
  559    H    GLU  71           H        GLU  71  -4.258   7.263 -15.117
  560    HA   GLU  71           HA       GLU  71  -2.409   9.340 -15.684
  561   1HB   GLU  71          2HB       GLU  71  -5.185   8.783 -16.728
  562   2HB   GLU  71          1HB       GLU  71  -4.154  10.067 -17.344
  563   1HG   GLU  71          2HG       GLU  71  -3.203   7.232 -17.279
  564   2HG   GLU  71          1HG       GLU  71  -4.223   7.823 -18.590
  565    H    LYS  72           H        LYS  72  -5.292   9.188 -13.748
  566    HA   LYS  72           HA       LYS  72  -5.645  12.057 -13.673
  567   1HB   LYS  72          2HB       LYS  72  -6.996   9.807 -12.182
  568   2HB   LYS  72          1HB       LYS  72  -7.421  11.503 -11.991
  569   1HG   LYS  72          2HG       LYS  72  -8.244  11.658 -14.175
  570   2HG   LYS  72          1HG       LYS  72  -7.460  10.155 -14.667
  571   1HD   LYS  72          2HD       LYS  72  -9.385   9.117 -14.242
  572   2HD   LYS  72          1HD       LYS  72  -9.105   9.442 -12.532
  573   1HE   LYS  72          2HE       LYS  72 -10.167  11.749 -13.057
  574   2HE   LYS  72          1HE       LYS  72 -10.798  10.942 -14.493
  575   1HZ   LYS  72          1HZ       LYS  72 -12.265   9.777 -13.289
  576   2HZ   LYS  72          2HZ       LYS  72 -12.019  10.964 -12.109
  577   3HZ   LYS  72          3HZ       LYS  72 -11.183   9.496 -12.018
  578    H    PHE  73           H        PHE  73  -4.639   9.531 -11.377
  579    HA   PHE  73           HA       PHE  73  -3.839  11.619  -9.479
  580   1HB   PHE  73          2HB       PHE  73  -3.836   8.641  -8.999
  581   2HB   PHE  73          1HB       PHE  73  -3.811   9.931  -7.803
  582    HD1  PHE  73           1HD      PHE  73  -5.710   7.688  -7.672
  583    HD2  PHE  73           2HD      PHE  73  -6.019  11.441  -9.655
  584    HE1  PHE  73           1HE      PHE  73  -8.161   7.570  -7.506
  585    HE2  PHE  73           2HE      PHE  73  -8.470  11.328  -9.495
  586    HZ   PHE  73           HZ       PHE  73  -9.545   9.392  -8.417
  587    H    GLY  74           H        GLY  74  -2.412   9.602 -11.827
  588   1HA   GLY  74          2HA       GLY  74   0.106   9.271 -10.464
  589   2HA   GLY  74          1HA       GLY  74  -0.238   8.860 -12.135
  590    H    LYS  75           H        LYS  75   0.237  11.687 -10.013
  591    HA   LYS  75           HA       LYS  75   2.000  12.847 -12.006
  592   1HB   LYS  75          2HB       LYS  75  -0.418  14.334 -10.962
  593   2HB   LYS  75          1HB       LYS  75   0.838  15.010 -11.989
  594   1HG   LYS  75          2HG       LYS  75   0.101  12.953 -13.525
  595   2HG   LYS  75          1HG       LYS  75  -1.417  13.230 -12.668
  596   1HD   LYS  75          2HD       LYS  75  -1.018  15.718 -13.288
  597   2HD   LYS  75          1HD       LYS  75   0.091  15.062 -14.493
  598   1HE   LYS  75          2HE       LYS  75  -1.578  14.320 -15.794
  599   2HE   LYS  75          1HE       LYS  75  -2.506  13.721 -14.420
  600   1HZ   LYS  75          1HZ       LYS  75  -3.804  15.496 -14.514
  601   2HZ   LYS  75          2HZ       LYS  75  -3.014  15.980 -15.929
  602   3HZ   LYS  75          3HZ       LYS  75  -2.483  16.551 -14.428
  603    HA   PRO  76           HA       PRO  76   4.438  14.130  -8.578
  604   1HB   PRO  76          2HB       PRO  76   4.417  16.863  -9.775
  605   2HB   PRO  76          1HB       PRO  76   5.785  15.870  -9.260
  606   1HG   PRO  76          2HG       PRO  76   5.203  16.145 -11.844
  607   2HG   PRO  76          1HG       PRO  76   5.755  14.591 -11.193
  608   1HD   PRO  76          2HD       PRO  76   3.015  15.443 -12.003
  609   2HD   PRO  76          1HD       PRO  76   3.787  13.850 -12.131
  610    H    ASN  77           H        ASN  77   4.338  15.256  -6.625
  611    HA   ASN  77           HA       ASN  77   2.000  17.000  -6.221
  612   1HB   ASN  77          2HB       ASN  77   1.492  14.631  -5.536
  613   2HB   ASN  77          1HB       ASN  77   2.746  14.782  -4.310
  614   1HD2  ASN  77          1HD2      ASN  77   0.145  16.903  -5.464
  615   2HD2  ASN  77          2HD2      ASN  77  -0.548  17.182  -3.906
  616    H    LYS  78           H        LYS  78   2.066  18.184  -4.151
  617    HA   LYS  78           HA       LYS  78   4.702  19.276  -3.747
  618   1HB   LYS  78          2HB       LYS  78   1.966  20.118  -3.296
  619   2HB   LYS  78          1HB       LYS  78   2.967  20.442  -1.887
  620   1HG   LYS  78          2HG       LYS  78   2.976  22.371  -3.295
  621   2HG   LYS  78          1HG       LYS  78   4.572  21.623  -3.361
  622   1HD   LYS  78          2HD       LYS  78   4.310  20.934  -5.531
  623   2HD   LYS  78          1HD       LYS  78   2.554  20.827  -5.397
  624   1HE   LYS  78          2HE       LYS  78   2.334  23.206  -5.515
  625   2HE   LYS  78          1HE       LYS  78   4.079  23.424  -5.402
  626   1HZ   LYS  78          1HZ       LYS  78   2.905  21.880  -7.622
  627   2HZ   LYS  78          2HZ       LYS  78   4.395  22.679  -7.553
  628   3HZ   LYS  78          3HZ       LYS  78   2.964  23.570  -7.691
  629    H    ARG  79           H        ARG  79   2.792  16.863  -2.265
  630    HA   ARG  79           HA       ARG  79   3.640  17.112   0.407
  631   1HB   ARG  79          2HB       ARG  79   2.498  14.900  -1.248
  632   2HB   ARG  79          1HB       ARG  79   3.158  14.525   0.338
  633   1HG   ARG  79          2HG       ARG  79   1.060  16.627  -0.121
  634   2HG   ARG  79          1HG       ARG  79   0.691  14.945   0.265
  635   1HD   ARG  79          2HD       ARG  79   2.303  16.852   1.953
  636   2HD   ARG  79          1HD       ARG  79   0.653  16.323   2.270
  637    HE   ARG  79           HE       ARG  79   1.987  13.996   2.180
  638   1HH1  ARG  79          1HH1      ARG  79   2.614  16.977   3.888
  639   2HH1  ARG  79          2HH1      ARG  79   3.413  16.194   5.211
  640   1HH2  ARG  79          1HH2      ARG  79   3.035  12.969   3.920
  641   2HH2  ARG  79          2HH2      ARG  79   3.651  13.922   5.230
  642    H    LYS  80           H        LYS  80   5.290  16.201  -2.392
  643    HA   LYS  80           HA       LYS  80   7.381  15.451  -2.803
  644   1HB   LYS  80          2HB       LYS  80   7.768  16.052   0.134
  645   2HB   LYS  80          1HB       LYS  80   9.067  15.654  -0.984
  646   1HG   LYS  80          2HG       LYS  80   7.359  18.111  -0.888
  647   2HG   LYS  80          1HG       LYS  80   9.117  17.977  -0.852
  648   1HD   LYS  80          2HD       LYS  80   7.374  17.313  -3.236
  649   2HD   LYS  80          1HD       LYS  80   8.259  18.825  -3.013
  650   1HE   LYS  80          2HE       LYS  80  10.163  16.840  -2.605
  651   2HE   LYS  80          1HE       LYS  80   9.195  16.253  -3.957
  652   1HZ   LYS  80          1HZ       LYS  80  11.236  17.958  -4.203
  653   2HZ   LYS  80          2HZ       LYS  80   9.945  19.047  -4.102
  654   3HZ   LYS  80          3HZ       LYS  80   9.956  17.858  -5.305
  655    H    GLY  81           H        GLY  81   8.386  13.513  -2.942
  656   1HA   GLY  81          2HA       GLY  81   8.914  11.303  -2.317
  657   2HA   GLY  81          1HA       GLY  81   7.813  11.453  -0.952
  658    H    PHE  82           H        PHE  82   5.846  12.655  -3.035
  659    HA   PHE  82           HA       PHE  82   4.244  10.401  -3.399
  660   1HB   PHE  82          2HB       PHE  82   3.403  12.704  -3.450
  661   2HB   PHE  82          1HB       PHE  82   4.282  13.003  -4.946
  662    HD1  PHE  82           1HD      PHE  82   3.636  11.725  -7.003
  663    HD2  PHE  82           2HD      PHE  82   1.278  11.740  -3.464
  664    HE1  PHE  82           1HE      PHE  82   1.697  10.952  -8.300
  665    HE2  PHE  82           2HE      PHE  82  -0.666  10.966  -4.750
  666    HZ   PHE  82           HZ       PHE  82  -0.461  10.566  -7.171
  667    H    SER  83           H        SER  83   6.177  12.170  -5.812
  668    HA   SER  83           HA       SER  83   5.740  10.512  -7.985
  669   1HB   SER  83          2HB       SER  83   8.382  11.860  -7.434
  670   2HB   SER  83          1HB       SER  83   7.654  11.499  -8.999
  671    HG   SER  83           HG       SER  83   7.124  13.565  -7.218
  672    H    GLU  84           H        GLU  84   8.279  10.267  -5.505
  673    HA   GLU  84           HA       GLU  84   9.767   8.186  -6.509
  674   1HB   GLU  84          2HB       GLU  84   9.422   9.447  -3.976
  675   2HB   GLU  84          1HB       GLU  84   9.425   7.708  -3.717
  676   1HG   GLU  84          2HG       GLU  84  11.656   8.630  -3.504
  677   2HG   GLU  84          1HG       GLU  84  11.557   7.524  -4.873
  678    H    GLY  85           H        GLY  85   6.586   8.102  -5.061
  679   1HA   GLY  85          2HA       GLY  85   6.483   5.266  -4.738
  680   2HA   GLY  85          1HA       GLY  85   5.115   6.370  -4.689
  681    H    LEU  86           H        LEU  86   5.700   7.496  -7.326
  682    HA   LEU  86           HA       LEU  86   4.127   5.782  -8.900
  683   1HB   LEU  86          2HB       LEU  86   5.816   8.183  -9.476
  684   2HB   LEU  86          1HB       LEU  86   5.164   7.254 -10.811
  685    HG   LEU  86           HG       LEU  86   3.474   8.461  -8.622
  686   1HD1  LEU  86          1HD1      LEU  86   4.326   9.525 -11.291
  687   2HD1  LEU  86          2HD1      LEU  86   4.338  10.326  -9.720
  688   3HD1  LEU  86          3HD1      LEU  86   2.808  10.023 -10.545
  689   1HD2  LEU  86          1HD2      LEU  86   2.836   6.426 -10.283
  690   2HD2  LEU  86          2HD2      LEU  86   2.355   7.810 -11.264
  691   3HD2  LEU  86          3HD2      LEU  86   1.672   7.592  -9.652
  692    H    TRP  87           H        TRP  87   7.625   6.313  -8.795
  693    HA   TRP  87           HA       TRP  87   8.302   4.624 -10.948
  694   1HB   TRP  87          2HB       TRP  87   9.899   6.233 -10.092
  695   2HB   TRP  87          1HB       TRP  87   9.897   5.459  -8.509
  696    HD1  TRP  87           HD       TRP  87  11.484   5.246 -11.925
  697    HE1  TRP  87           1HE      TRP  87  13.250   3.375 -11.936
  698    HE3  TRP  87           3HE      TRP  87  10.420   3.102  -7.410
  699    HZ2  TRP  87           2HZ      TRP  87  14.075   1.259 -10.253
  700    HZ3  TRP  87           3HZ      TRP  87  11.741   1.158  -6.684
  701    HH2  TRP  87           HH       TRP  87  13.529   0.256  -8.077
  702    H    GLU  88           H        GLU  88   8.091   3.995  -7.442
  703    HA   GLU  88           HA       GLU  88   9.006   1.344  -7.524
  704   1HB   GLU  88          2HB       GLU  88   7.485   3.011  -5.589
  705   2HB   GLU  88          1HB       GLU  88   7.430   1.268  -5.365
  706   1HG   GLU  88          2HG       GLU  88   9.263   1.643  -4.130
  707   2HG   GLU  88          1HG       GLU  88  10.072   1.599  -5.697
  708    H    ILE  89           H        ILE  89   5.652   2.583  -7.489
  709    HA   ILE  89           HA       ILE  89   4.320   0.172  -7.515
  710    HB   ILE  89           HB       ILE  89   3.274   2.409  -7.280
  711   1HG1  ILE  89          2HG1      ILE  89   1.554   1.432  -9.368
  712   2HG1  ILE  89          1HG1      ILE  89   2.232   0.076  -8.469
  713   1HG2  ILE  89          1HG2      ILE  89   2.490   3.329  -9.614
  714   2HG2  ILE  89          2HG2      ILE  89   3.989   2.579 -10.158
  715   3HG2  ILE  89          3HG2      ILE  89   4.027   3.815  -8.901
  716   1HD1  ILE  89          1HD1      ILE  89   0.208   1.985  -7.694
  717   2HD1  ILE  89          2HD1      ILE  89   1.509   1.872  -6.508
  718   3HD1  ILE  89          3HD1      ILE  89   0.623   0.423  -6.988
  719    H    GLU  90           H        GLU  90   6.094   1.683 -10.082
  720    HA   GLU  90           HA       GLU  90   4.997  -0.185 -12.051
  721   1HB   GLU  90          2HB       GLU  90   5.972   2.505 -12.165
  722   2HB   GLU  90          1HB       GLU  90   6.920   1.504 -13.256
  723   1HG   GLU  90          2HG       GLU  90   5.267   1.384 -14.726
  724   2HG   GLU  90          1HG       GLU  90   4.096   0.939 -13.486
  725    H    ASN  91           H        ASN  91   8.137   0.825 -10.715
  726    HA   ASN  91           HA       ASN  91   9.557  -1.174 -12.217
  727   1HB   ASN  91          2HB       ASN  91  10.237   1.130 -10.609
  728   2HB   ASN  91          1HB       ASN  91  11.243  -0.249 -10.176
  729   1HD2  ASN  91          1HD2      ASN  91  10.513   2.121 -12.543
  730   2HD2  ASN  91          2HD2      ASN  91  11.763   1.710 -13.663
  731    H    ASN  92           H        ASN  92   8.281  -0.895  -8.960
  732    HA   ASN  92           HA       ASN  92   8.695  -3.724  -8.568
  733   1HB   ASN  92          2HB       ASN  92  10.505  -1.789  -7.429
  734   2HB   ASN  92          1HB       ASN  92   9.648  -2.642  -6.149
  735   1HD2  ASN  92          1HD2      ASN  92  10.613  -4.395  -5.461
  736   2HD2  ASN  92          2HD2      ASN  92  11.660  -5.418  -6.379
  737    HA   PRO  93           HA       PRO  93   4.843  -2.204  -6.617
  738   1HB   PRO  93          2HB       PRO  93   3.222  -4.124  -7.548
  739   2HB   PRO  93          1HB       PRO  93   3.720  -2.762  -8.559
  740   1HG   PRO  93          2HG       PRO  93   4.769  -5.564  -8.503
  741   2HG   PRO  93          1HG       PRO  93   4.421  -4.527  -9.898
  742   1HD   PRO  93          2HD       PRO  93   6.932  -4.910  -8.851
  743   2HD   PRO  93          1HD       PRO  93   6.446  -3.470  -9.766
  744    H    THR  94           H        THR  94   6.668  -5.103  -6.359
  745    HA   THR  94           HA       THR  94   5.041  -6.028  -4.100
  746    HB   THR  94           HB       THR  94   6.101  -8.157  -4.335
  747    HG1  THR  94           1HG      THR  94   7.847  -8.489  -5.655
  748   1HG2  THR  94          1HG2      THR  94   4.632  -8.480  -5.973
  749   2HG2  THR  94          2HG2      THR  94   6.010  -8.286  -7.056
  750   3HG2  THR  94          3HG2      THR  94   4.962  -6.910  -6.707
  751    H    VAL  95           H        VAL  95   7.295  -3.839  -4.326
  752    HA   VAL  95           HA       VAL  95   9.416  -4.721  -2.690
  753    HB   VAL  95           HB       VAL  95   9.570  -2.714  -4.108
  754   1HG1  VAL  95          1HG1      VAL  95   7.250  -1.922  -2.558
  755   2HG1  VAL  95          2HG1      VAL  95   7.851  -1.298  -4.094
  756   3HG1  VAL  95          3HG1      VAL  95   8.496  -0.675  -2.576
  757   1HG2  VAL  95          1HG2      VAL  95   9.980  -1.799  -1.287
  758   2HG2  VAL  95          2HG2      VAL  95  10.999  -1.542  -2.705
  759   3HG2  VAL  95          3HG2      VAL  95  10.929  -3.133  -1.946
  760    H    LYS  96           H        LYS  96   9.848  -4.334  -0.498
  761    HA   LYS  96           HA       LYS  96   7.565  -3.539   1.167
  762   1HB   LYS  96          2HB       LYS  96   8.773  -6.170   0.996
  763   2HB   LYS  96          1HB       LYS  96   8.879  -5.526   2.629
  764   1HG   LYS  96          2HG       LYS  96   6.270  -4.986   1.772
  765   2HG   LYS  96          1HG       LYS  96   6.622  -6.632   1.245
  766   1HD   LYS  96          2HD       LYS  96   5.861  -7.048   3.364
  767   2HD   LYS  96          1HD       LYS  96   7.582  -6.840   3.695
  768   1HE   LYS  96          2HE       LYS  96   6.487  -4.268   3.784
  769   2HE   LYS  96          1HE       LYS  96   5.332  -5.299   4.629
  770   1HZ   LYS  96          1HZ       LYS  96   7.590  -4.247   5.700
  771   2HZ   LYS  96          2HZ       LYS  96   8.060  -5.833   5.349
  772   3HZ   LYS  96          3HZ       LYS  96   6.718  -5.549   6.338
  773    H    ALA  97           H        ALA  97   8.237  -3.126   3.464
  774    HA   ALA  97           HA       ALA  97  10.599  -1.461   3.446
  775   1HB   ALA  97          1HB       ALA  97   8.371  -1.917   5.396
  776   2HB   ALA  97          2HB       ALA  97   8.810  -0.443   4.534
  777   3HB   ALA  97          3HB       ALA  97   9.818  -1.022   5.861
  778    H    SER  98           H        SER  98  11.830  -1.514   5.703
  779    HA   SER  98           HA       SER  98  13.397  -2.578   6.961
  780   1HB   SER  98          2HB       SER  98  11.700  -5.064   6.812
  781   2HB   SER  98          1HB       SER  98  12.750  -4.531   8.124
  782    HG   SER  98           HG       SER  98  11.252  -2.707   8.320
  783    H    GLY  99           H        GLY  99  15.021  -4.341   6.959
  784   1HA   GLY  99          2HA       GLY  99  15.471  -6.349   5.259
  785   2HA   GLY  99          1HA       GLY  99  15.742  -4.966   4.210
  786    H    TYR 100           H        TYR 100  16.924  -6.785   6.936
  787    HA   TYR 100           HA       TYR 100  19.469  -5.311   6.746
  788   1HB   TYR 100          2HB       TYR 100  18.092  -6.459   9.172
  789   2HB   TYR 100          1HB       TYR 100  19.800  -6.035   9.170
  790    HD1  TYR 100           1HD      TYR 100  16.389  -4.771   9.223
  791    HD2  TYR 100           2HD      TYR 100  20.495  -3.689   8.982
  792    HE1  TYR 100           1HE      TYR 100  15.803  -2.451   9.776
  793    HE2  TYR 100           2HE      TYR 100  19.922  -1.365   9.534
  794    HH   TYR 100           HH       TYR 100  17.578  -0.331  10.946
  795    H    GLN 101           H        GLN 101  20.602  -6.645   5.425
  796    HA   GLN 101           HA       GLN 101  20.489  -9.477   5.538
  797   1HB   GLN 101          2HB       GLN 101  21.998  -7.441   4.050
  798   2HB   GLN 101          1HB       GLN 101  22.883  -8.937   4.316
  799   1HG   GLN 101          2HG       GLN 101  20.664 -10.036   3.462
  800   2HG   GLN 101          1HG       GLN 101  20.411  -8.449   2.736
  801   1HE2  GLN 101          1HE2      GLN 101  21.529  -7.893   0.953
  802   2HE2  GLN 101          2HE2      GLN 101  22.681  -8.912   0.166
  803    H    SER 102           H        SER 102  22.623  -7.067   6.962
  804    HA   SER 102           HA       SER 102  24.054  -9.220   8.370
  805   1HB   SER 102          2HB       SER 102  25.591  -7.041   8.836
  806   2HB   SER 102          1HB       SER 102  25.814  -8.107   7.449
  807    HG   SER 102           HG       SER 102  25.529  -5.653   7.197
  808    H    SER 103           H        SER 103  22.684  -9.513  10.100
  809    HA   SER 103           HA       SER 103  22.723  -7.367  12.082
  810   1HB   SER 103          2HB       SER 103  20.377  -7.481  12.543
  811   2HB   SER 103          1HB       SER 103  20.540  -7.272  10.800
  812    HG   SER 103           HG       SER 103  19.045  -8.972  11.645
  813    H    GLN 104           H        GLN 104  23.253  -8.109  14.034
  814    HA   GLN 104           HA       GLN 104  23.744  -9.524  15.744
  815   1HB   GLN 104          2HB       GLN 104  21.193 -10.411  14.704
  816   2HB   GLN 104          1HB       GLN 104  22.106 -11.765  15.358
  817   1HG   GLN 104          2HG       GLN 104  20.734 -10.888  17.090
  818   2HG   GLN 104          1HG       GLN 104  22.406 -10.470  17.456
  819   1HE2  GLN 104          1HE2      GLN 104  19.293  -9.277  16.498
  820   2HE2  GLN 104          2HE2      GLN 104  19.629  -7.601  16.748
  821    H    LYS 105           H        LYS 105  25.661 -10.480  15.680
  822    HA   LYS 105           HA       LYS 105  27.350 -11.916  15.176
  823   1HB   LYS 105          2HB       LYS 105  25.635 -13.590  15.856
  824   2HB   LYS 105          1HB       LYS 105  25.145 -13.723  14.173
  825   1HG   LYS 105          2HG       LYS 105  28.008 -14.112  14.604
  826   2HG   LYS 105          1HG       LYS 105  26.988 -15.302  15.414
  827   1HD   LYS 105          2HD       LYS 105  26.673 -14.574  12.509
  828   2HD   LYS 105          1HD       LYS 105  27.720 -15.882  13.064
  829   1HE   LYS 105          2HE       LYS 105  25.161 -16.149  14.304
  830   2HE   LYS 105          1HE       LYS 105  24.938 -15.952  12.566
  831   1HZ   LYS 105          1HZ       LYS 105  26.864 -17.890  13.705
  832   2HZ   LYS 105          2HZ       LYS 105  26.261 -17.823  12.126
  833   3HZ   LYS 105          3HZ       LYS 105  25.250 -18.294  13.397
  834    H    LYS 106           H        LYS 106  28.514 -10.958  13.602
  835    HA   LYS 106           HA       LYS 106  27.651 -10.556  10.951
  836   1HB   LYS 106          2HB       LYS 106  30.173 -10.266  12.453
  837   2HB   LYS 106          1HB       LYS 106  30.363 -10.525  10.724
  838   1HG   LYS 106          2HG       LYS 106  30.321  -8.190  11.062
  839   2HG   LYS 106          1HG       LYS 106  28.756  -8.624  10.372
  840   1HD   LYS 106          2HD       LYS 106  27.959  -7.365  12.067
  841   2HD   LYS 106          1HD       LYS 106  28.199  -8.843  13.001
  842   1HE   LYS 106          2HE       LYS 106  29.146  -6.971  14.195
  843   2HE   LYS 106          1HE       LYS 106  30.438  -8.036  13.646
  844   1HZ   LYS 106          1HZ       LYS 106  31.265  -6.469  12.292
  845   2HZ   LYS 106          2HZ       LYS 106  30.423  -5.390  13.285
  846   3HZ   LYS 106          3HZ       LYS 106  29.745  -5.896  11.821
  847    H    SER 107           H        SER 107  28.409 -11.552   9.003
  848    HA   SER 107           HA       SER 107  29.037 -14.407   9.364
  849   1HB   SER 107          2HB       SER 107  26.959 -13.142   7.914
  850   2HB   SER 107          1HB       SER 107  28.062 -13.828   6.722
  851    HG   SER 107           HG       SER 107  27.911 -15.806   8.032
  852    H    CYS 108           H        CYS 108  29.983 -15.273   7.122
  853    HA   CYS 108           HA       CYS 108  31.698 -13.579   5.656
  854   1HB   CYS 108          2HB       CYS 108  33.868 -14.547   6.567
  855   2HB   CYS 108          1HB       CYS 108  33.061 -13.356   7.581
  856    HG   CYS 108           HG       CYS 108  32.770 -15.041   9.348
  857    H    ALA 109           H        ALA 109  29.842 -15.687   5.173
  858    HA   ALA 109           HA       ALA 109  29.571 -17.522   3.856
  859   1HB   ALA 109          1HB       ALA 109  30.661 -16.738   2.039
  860   2HB   ALA 109          2HB       ALA 109  31.813 -18.007   2.456
  861   3HB   ALA 109          3HB       ALA 109  32.119 -16.342   2.948
  862    H    GLU 110           H        GLU 110  29.337 -19.246   5.164
  863    HA   GLU 110           HA       GLU 110  31.781 -20.604   6.092
  864   1HB   GLU 110          2HB       GLU 110  30.276 -19.745   7.888
  865   2HB   GLU 110          1HB       GLU 110  29.008 -20.799   7.277
  866   1HG   GLU 110          2HG       GLU 110  31.575 -22.103   7.889
  867   2HG   GLU 110          1HG       GLU 110  30.684 -21.459   9.268
  Start of MODEL   10
    1   1H    MET   1          1HT       MET   1 -23.996   0.997 -19.680
    2   2H    MET   1          2HT       MET   1 -25.204   0.210 -18.750
    3   3H    MET   1          3HT       MET   1 -23.686  -0.547 -19.006
    4    HA   MET   1           HA       MET   1 -23.549   0.246 -16.887
    5   1HB   MET   1          2HB       MET   1 -22.391   2.335 -18.746
    6   2HB   MET   1          1HB       MET   1 -21.899   2.079 -17.078
    7   1HG   MET   1          2HG       MET   1 -20.304   0.806 -17.984
    8   2HG   MET   1          1HG       MET   1 -21.577  -0.409 -18.083
    9   1HE   MET   1          1HE       MET   1 -18.712   0.528 -20.488
   10   2HE   MET   1          2HE       MET   1 -19.268   1.918 -19.556
   11   3HE   MET   1          3HE       MET   1 -19.468   1.893 -21.308
   12    H    SER   2           H        SER   2 -23.329   2.554 -15.678
   13    HA   SER   2           HA       SER   2 -25.120   4.609 -16.252
   14   1HB   SER   2          2HB       SER   2 -26.310   2.262 -14.865
   15   2HB   SER   2          1HB       SER   2 -26.752   3.859 -14.262
   16    HG   SER   2           HG       SER   2 -27.215   4.331 -16.567
   17    H    ARG   3           H        ARG   3 -23.615   2.647 -13.750
   18    HA   ARG   3           HA       ARG   3 -22.430   3.193 -11.888
   19   1HB   ARG   3          2HB       ARG   3 -22.232   5.629 -13.560
   20   2HB   ARG   3          1HB       ARG   3 -21.864   5.836 -11.853
   21   1HG   ARG   3          2HG       ARG   3 -19.792   5.320 -12.610
   22   2HG   ARG   3          1HG       ARG   3 -20.382   3.687 -12.289
   23   1HD   ARG   3          2HD       ARG   3 -19.637   3.356 -14.407
   24   2HD   ARG   3          1HD       ARG   3 -21.253   3.948 -14.792
   25    HE   ARG   3           HE       ARG   3 -19.227   5.998 -14.611
   26   1HH1  ARG   3          1HH1      ARG   3 -20.876   3.738 -16.701
   27   2HH1  ARG   3          2HH1      ARG   3 -20.518   4.623 -18.145
   28   1HH2  ARG   3          1HH2      ARG   3 -18.754   7.159 -16.512
   29   2HH2  ARG   3          2HH2      ARG   3 -19.314   6.563 -18.038
   30    H    SER   4           H        SER   4 -23.895   2.841 -10.297
   31    HA   SER   4           HA       SER   4 -25.266   5.211  -9.247
   32   1HB   SER   4          2HB       SER   4 -26.497   2.631 -10.078
   33   2HB   SER   4          1HB       SER   4 -27.106   3.381  -8.603
   34    HG   SER   4           HG       SER   4 -26.995   4.523 -11.197
   35    H    ASN   5           H        ASN   5 -24.715   1.761  -8.520
   36    HA   ASN   5           HA       ASN   5 -24.074   2.542  -5.754
   37   1HB   ASN   5          2HB       ASN   5 -26.021   0.970  -6.148
   38   2HB   ASN   5          1HB       ASN   5 -24.847  -0.217  -6.708
   39   1HD2  ASN   5          1HD2      ASN   5 -24.942   2.086  -4.010
   40   2HD2  ASN   5          2HD2      ASN   5 -24.613   0.920  -2.780
   41    H    ARG   6           H        ARG   6 -21.905   2.918  -5.853
   42    HA   ARG   6           HA       ARG   6 -20.073   1.332  -7.322
   43   1HB   ARG   6          2HB       ARG   6 -19.900   3.764  -6.234
   44   2HB   ARG   6          1HB       ARG   6 -19.140   2.849  -4.938
   45   1HG   ARG   6          2HG       ARG   6 -17.384   2.143  -6.307
   46   2HG   ARG   6          1HG       ARG   6 -18.253   2.559  -7.786
   47   1HD   ARG   6          2HD       ARG   6 -17.642   4.725  -7.687
   48   2HD   ARG   6          1HD       ARG   6 -17.803   4.795  -5.932
   49    HE   ARG   6           HE       ARG   6 -15.411   4.377  -7.404
   50   1HH1  ARG   6          1HH1      ARG   6 -17.034   3.470  -4.451
   51   2HH1  ARG   6          2HH1      ARG   6 -15.564   3.154  -3.593
   52   1HH2  ARG   6          1HH2      ARG   6 -13.476   3.958  -6.278
   53   2HH2  ARG   6          2HH2      ARG   6 -13.544   3.430  -4.630
   54    H    GLN   7           H        GLN   7 -19.196  -0.572  -6.856
   55    HA   GLN   7           HA       GLN   7 -18.609  -1.379  -4.167
   56   1HB   GLN   7          2HB       GLN   7 -21.077  -1.868  -4.439
   57   2HB   GLN   7          1HB       GLN   7 -20.630  -3.046  -5.667
   58   1HG   GLN   7          2HG       GLN   7 -19.126  -3.421  -3.225
   59   2HG   GLN   7          1HG       GLN   7 -20.866  -3.485  -2.945
   60   1HE2  GLN   7          1HE2      GLN   7 -21.751  -5.402  -3.161
   61   2HE2  GLN   7          2HE2      GLN   7 -21.155  -6.702  -4.132
   62    H    LYS   8           H        LYS   8 -16.873  -2.663  -4.181
   63    HA   LYS   8           HA       LYS   8 -16.389  -4.645  -6.166
   64   1HB   LYS   8          2HB       LYS   8 -15.806  -2.533  -7.399
   65   2HB   LYS   8          1HB       LYS   8 -14.529  -2.265  -6.219
   66   1HG   LYS   8          2HG       LYS   8 -14.099  -4.856  -7.090
   67   2HG   LYS   8          1HG       LYS   8 -14.576  -3.984  -8.547
   68   1HD   LYS   8          2HD       LYS   8 -12.874  -2.195  -7.635
   69   2HD   LYS   8          1HD       LYS   8 -12.208  -3.586  -6.779
   70   1HE   LYS   8          2HE       LYS   8 -12.743  -3.617  -9.737
   71   2HE   LYS   8          1HE       LYS   8 -11.217  -3.051  -9.061
   72   1HZ   LYS   8          1HZ       LYS   8 -12.045  -5.601  -8.026
   73   2HZ   LYS   8          2HZ       LYS   8 -10.552  -5.127  -8.665
   74   3HZ   LYS   8          3HZ       LYS   8 -11.797  -5.617  -9.700
   75    H    GLU   9           H        GLU   9 -14.962  -6.138  -5.441
   76    HA   GLU   9           HA       GLU   9 -13.775  -5.647  -2.813
   77   1HB   GLU   9          2HB       GLU   9 -13.402  -8.153  -2.862
   78   2HB   GLU   9          1HB       GLU   9 -15.079  -7.627  -2.847
   79   1HG   GLU   9          2HG       GLU   9 -15.509  -8.590  -4.803
   80   2HG   GLU   9          1HG       GLU   9 -14.038  -7.952  -5.537
   81    H    TYR  10           H        TYR  10 -11.601  -5.924  -2.376
   82    HA   TYR  10           HA       TYR  10  -9.845  -6.078  -4.745
   83   1HB   TYR  10          2HB       TYR  10  -9.440  -4.611  -2.127
   84   2HB   TYR  10          1HB       TYR  10  -8.215  -4.759  -3.384
   85    HD1  TYR  10           1HD      TYR  10  -8.484  -3.591  -5.525
   86    HD2  TYR  10           2HD      TYR  10 -11.304  -3.110  -2.377
   87    HE1  TYR  10           1HE      TYR  10  -9.393  -1.602  -6.651
   88    HE2  TYR  10           2HE      TYR  10 -12.221  -1.121  -3.493
   89    HH   TYR  10           HH       TYR  10 -12.251  -0.323  -6.102
   90    H    LYS  11           H        LYS  11  -7.712  -7.060  -4.387
   91    HA   LYS  11           HA       LYS  11  -7.661  -8.959  -2.151
   92   1HB   LYS  11          2HB       LYS  11  -7.010  -9.662  -5.017
   93   2HB   LYS  11          1HB       LYS  11  -6.916 -10.746  -3.635
   94   1HG   LYS  11          2HG       LYS  11  -9.518  -9.433  -4.172
   95   2HG   LYS  11          1HG       LYS  11  -8.996 -10.709  -5.273
   96   1HD   LYS  11          2HD       LYS  11  -8.539 -11.534  -2.566
   97   2HD   LYS  11          1HD       LYS  11 -10.206 -10.983  -2.739
   98   1HE   LYS  11          2HE       LYS  11 -10.025 -13.370  -3.196
   99   2HE   LYS  11          1HE       LYS  11 -10.508 -12.486  -4.643
  100   1HZ   LYS  11          1HZ       LYS  11  -8.595 -12.978  -5.692
  101   2HZ   LYS  11          2HZ       LYS  11  -8.557 -14.282  -4.615
  102   3HZ   LYS  11          3HZ       LYS  11  -7.653 -12.890  -4.289
  103    H    CYS  12           H        CYS  12  -5.543  -9.822  -1.668
  104    HA   CYS  12           HA       CYS  12  -3.565  -7.919  -1.410
  105   1HB   CYS  12          2HB       CYS  12  -3.508 -10.922  -1.332
  106   2HB   CYS  12          1HB       CYS  12  -2.025  -9.995  -1.135
  107    HG   CYS  12           HG       CYS  12  -3.096  -8.920   1.015
  108    H    GLY  13           H        GLY  13  -2.022  -7.093  -2.721
  109   1HA   GLY  13          2HA       GLY  13  -0.310  -7.305  -4.374
  110   2HA   GLY  13          1HA       GLY  13  -1.226  -8.615  -5.101
  111    H    ASP  14           H        ASP  14  -3.654  -6.688  -4.641
  112    HA   ASP  14           HA       ASP  14  -3.713  -5.721  -7.311
  113   1HB   ASP  14          2HB       ASP  14  -5.519  -5.448  -4.929
  114   2HB   ASP  14          1HB       ASP  14  -5.810  -4.484  -6.374
  115    H    LEU  15           H        LEU  15  -3.379  -3.705  -8.130
  116    HA   LEU  15           HA       LEU  15  -2.037  -1.799  -6.378
  117   1HB   LEU  15          2HB       LEU  15  -2.431  -1.676  -9.369
  118   2HB   LEU  15          1HB       LEU  15  -1.362  -0.665  -8.413
  119    HG   LEU  15           HG       LEU  15  -1.051  -3.646  -8.786
  120   1HD1  LEU  15          1HD1      LEU  15  -0.568  -2.598 -10.859
  121   2HD1  LEU  15          2HD1      LEU  15   0.979  -2.938 -10.083
  122   3HD1  LEU  15          3HD1      LEU  15   0.327  -1.300 -10.070
  123   1HD2  LEU  15          1HD2      LEU  15   1.204  -2.036  -7.832
  124   2HD2  LEU  15          2HD2      LEU  15   0.628  -3.615  -7.300
  125   3HD2  LEU  15          3HD2      LEU  15  -0.145  -2.149  -6.701
  126    H    VAL  16           H        VAL  16  -3.116  -0.195  -5.470
  127    HA   VAL  16           HA       VAL  16  -5.333   1.041  -6.925
  128    HB   VAL  16           HB       VAL  16  -6.691   1.120  -4.844
  129   1HG1  VAL  16          1HG1      VAL  16  -6.048  -1.683  -5.748
  130   2HG1  VAL  16          2HG1      VAL  16  -7.065  -0.551  -6.639
  131   3HG1  VAL  16          3HG1      VAL  16  -7.560  -1.113  -5.042
  132   1HG2  VAL  16          1HG2      VAL  16  -5.010   0.799  -3.172
  133   2HG2  VAL  16          2HG2      VAL  16  -4.566  -0.769  -3.845
  134   3HG2  VAL  16          3HG2      VAL  16  -6.138  -0.553  -3.076
  135    H    PHE  17           H        PHE  17  -6.133   3.016  -5.709
  136    HA   PHE  17           HA       PHE  17  -3.811   4.512  -4.669
  137   1HB   PHE  17          2HB       PHE  17  -6.107   5.272  -6.425
  138   2HB   PHE  17          1HB       PHE  17  -5.451   6.496  -5.344
  139    HD1  PHE  17           1HD      PHE  17  -2.714   6.375  -5.357
  140    HD2  PHE  17           2HD      PHE  17  -5.326   5.392  -8.561
  141    HE1  PHE  17           1HE      PHE  17  -0.904   6.817  -6.957
  142    HE2  PHE  17           2HE      PHE  17  -3.524   5.835 -10.173
  143    HZ   PHE  17           HZ       PHE  17  -1.307   6.550  -9.374
  144    H    ALA  18           H        ALA  18  -3.981   5.496  -2.679
  145    HA   ALA  18           HA       ALA  18  -6.520   5.093  -1.254
  146   1HB   ALA  18          1HB       ALA  18  -5.230   3.914   0.141
  147   2HB   ALA  18          2HB       ALA  18  -4.647   5.479   0.708
  148   3HB   ALA  18          3HB       ALA  18  -3.740   4.593  -0.519
  149    H    LYS  19           H        LYS  19  -7.610   6.818  -0.642
  150    HA   LYS  19           HA       LYS  19  -6.363   9.442  -0.838
  151   1HB   LYS  19          2HB       LYS  19  -8.528   9.126  -1.931
  152   2HB   LYS  19          1HB       LYS  19  -9.247   8.643  -0.401
  153   1HG   LYS  19          2HG       LYS  19  -9.899  10.792  -0.346
  154   2HG   LYS  19          1HG       LYS  19  -8.273  11.054   0.287
  155   1HD   LYS  19          2HD       LYS  19  -8.472  11.015  -2.644
  156   2HD   LYS  19          1HD       LYS  19  -9.322  12.348  -1.860
  157   1HE   LYS  19          2HE       LYS  19  -6.610  11.801  -0.853
  158   2HE   LYS  19          1HE       LYS  19  -6.698  12.390  -2.512
  159   1HZ   LYS  19          1HZ       LYS  19  -6.649  13.988  -0.397
  160   2HZ   LYS  19          2HZ       LYS  19  -8.322  13.810  -0.567
  161   3HZ   LYS  19          3HZ       LYS  19  -7.401  14.409  -1.852
  162    H    MET  20           H        MET  20  -5.844  10.677   0.848
  163    HA   MET  20           HA       MET  20  -6.806   9.891   3.517
  164   1HB   MET  20          2HB       MET  20  -4.000  10.455   2.612
  165   2HB   MET  20          1HB       MET  20  -4.468  10.743   4.282
  166   1HG   MET  20          2HG       MET  20  -4.550   8.555   4.777
  167   2HG   MET  20          1HG       MET  20  -5.214   8.114   3.204
  168   1HE   MET  20          1HE       MET  20  -0.976   8.079   4.675
  169   2HE   MET  20          2HE       MET  20  -2.183   6.867   5.105
  170   3HE   MET  20          3HE       MET  20  -2.460   8.565   5.496
  171    H    LYS  21           H        LYS  21  -7.113  11.569   5.002
  172    HA   LYS  21           HA       LYS  21  -7.920  14.047   3.912
  173   1HB   LYS  21          2HB       LYS  21  -8.514  12.738   6.181
  174   2HB   LYS  21          1HB       LYS  21  -7.338  13.879   6.819
  175   1HG   LYS  21          2HG       LYS  21  -9.396  14.934   7.103
  176   2HG   LYS  21          1HG       LYS  21  -8.715  15.685   5.660
  177   1HD   LYS  21          2HD       LYS  21 -10.188  13.395   4.846
  178   2HD   LYS  21          1HD       LYS  21 -11.197  14.324   5.957
  179   1HE   LYS  21          2HE       LYS  21 -11.486  15.983   4.482
  180   2HE   LYS  21          1HE       LYS  21  -9.787  15.982   4.013
  181   1HZ   LYS  21          1HZ       LYS  21 -11.209  15.386   2.160
  182   2HZ   LYS  21          2HZ       LYS  21 -11.855  14.088   3.032
  183   3HZ   LYS  21          3HZ       LYS  21 -10.223  14.077   2.587
  184    H    GLY  22           H        GLY  22  -6.619  15.619   3.227
  185   1HA   GLY  22          2HA       GLY  22  -5.084  17.379   3.713
  186   2HA   GLY  22          1HA       GLY  22  -4.287  16.324   4.869
  187    H    TYR  23           H        TYR  23  -4.918  14.547   2.126
  188    HA   TYR  23           HA       TYR  23  -2.610  15.410   0.602
  189   1HB   TYR  23          2HB       TYR  23  -2.572  12.539   1.458
  190   2HB   TYR  23          1HB       TYR  23  -1.247  13.552   0.901
  191    HD1  TYR  23           1HD      TYR  23  -3.078  12.333   3.761
  192    HD2  TYR  23           2HD      TYR  23  -0.280  15.263   2.462
  193    HE1  TYR  23           1HE      TYR  23  -2.416  12.726   6.096
  194    HE2  TYR  23           2HE      TYR  23   0.391  15.664   4.794
  195    HH   TYR  23           HH       TYR  23   0.077  13.808   7.144
  196    HA   PRO  24           HA       PRO  24  -5.061  13.654  -2.622
  197   1HB   PRO  24          2HB       PRO  24  -3.276  13.470  -4.607
  198   2HB   PRO  24          1HB       PRO  24  -3.788  15.039  -3.973
  199   1HG   PRO  24          2HG       PRO  24  -1.288  13.496  -3.419
  200   2HG   PRO  24          1HG       PRO  24  -1.497  15.237  -3.676
  201   1HD   PRO  24          2HD       PRO  24  -1.258  14.042  -1.203
  202   2HD   PRO  24          1HD       PRO  24  -2.035  15.611  -1.489
  203    H    HIS  25           H        HIS  25  -5.223  11.809  -4.138
  204    HA   HIS  25           HA       HIS  25  -4.977   9.346  -2.955
  205   1HB   HIS  25          2HB       HIS  25  -4.865   9.967  -5.917
  206   2HB   HIS  25          1HB       HIS  25  -5.219   8.391  -5.221
  207    HD1  HIS  25           1HD      HIS  25  -6.681  11.862  -5.487
  208    HD2  HIS  25           2HD      HIS  25  -7.837   7.996  -4.493
  209    HE1  HIS  25           1HE      HIS  25  -9.185  11.946  -5.260
  210    HE2  HIS  25           2HE      HIS  25  -9.850   9.619  -4.560
  211    H    TRP  26           H        TRP  26  -3.191   8.301  -2.267
  212    HA   TRP  26           HA       TRP  26  -0.645   8.773  -3.636
  213   1HB   TRP  26          2HB       TRP  26  -1.128   8.890  -1.028
  214   2HB   TRP  26          1HB       TRP  26  -0.824   7.161  -1.134
  215    HD1  TRP  26           HD       TRP  26   1.684   6.452  -2.079
  216    HE1  TRP  26           1HE      TRP  26   3.940   7.659  -1.759
  217    HE3  TRP  26           3HE      TRP  26  -0.040  11.096  -0.816
  218    HZ2  TRP  26           2HZ      TRP  26   4.854  10.245  -1.064
  219    HZ3  TRP  26           3HZ      TRP  26   1.572  12.870  -0.343
  220    HH2  TRP  26           HH       TRP  26   3.958  12.456  -0.464
  221    HA   PRO  27           HA       PRO  27  -0.913   4.853  -5.742
  222   1HB   PRO  27          2HB       PRO  27   1.840   4.474  -5.954
  223   2HB   PRO  27          1HB       PRO  27   0.837   5.349  -7.112
  224   1HG   PRO  27          2HG       PRO  27   2.559   6.402  -4.918
  225   2HG   PRO  27          1HG       PRO  27   2.257   7.071  -6.531
  226   1HD   PRO  27          2HD       PRO  27   1.096   8.099  -4.339
  227   2HD   PRO  27          1HD       PRO  27   0.245   8.027  -5.896
  228    H    ALA  28           H        ALA  28  -1.396   3.056  -4.670
  229    HA   ALA  28           HA       ALA  28   0.536   1.999  -2.744
  230   1HB   ALA  28          1HB       ALA  28  -1.868   3.298  -2.015
  231   2HB   ALA  28          2HB       ALA  28  -0.688   2.502  -0.973
  232   3HB   ALA  28          3HB       ALA  28  -2.042   1.584  -1.636
  233    H    ARG  29           H        ARG  29  -0.332  -0.178  -1.870
  234    HA   ARG  29           HA       ARG  29  -1.775  -1.699  -3.904
  235   1HB   ARG  29          2HB       ARG  29   0.697  -1.807  -4.380
  236   2HB   ARG  29          1HB       ARG  29   0.900  -2.597  -2.824
  237   1HG   ARG  29          2HG       ARG  29  -0.839  -4.288  -3.741
  238   2HG   ARG  29          1HG       ARG  29  -0.388  -3.625  -5.312
  239   1HD   ARG  29          2HD       ARG  29   1.301  -5.080  -5.299
  240   2HD   ARG  29          1HD       ARG  29   2.038  -4.064  -4.061
  241    HE   ARG  29           HE       ARG  29   0.297  -5.776  -2.755
  242   1HH1  ARG  29          1HH1      ARG  29   3.181  -6.041  -4.703
  243   2HH1  ARG  29          2HH1      ARG  29   3.711  -7.503  -3.941
  244   1HH2  ARG  29          1HH2      ARG  29   0.993  -7.697  -1.752
  245   2HH2  ARG  29          2HH2      ARG  29   2.470  -8.443  -2.267
  246    H    ILE  30           H        ILE  30  -2.556  -3.774  -3.107
  247    HA   ILE  30           HA       ILE  30  -3.260  -3.661  -0.308
  248    HB   ILE  30           HB       ILE  30  -3.826  -5.883  -2.278
  249   1HG1  ILE  30          2HG1      ILE  30  -4.674  -3.704  -3.091
  250   2HG1  ILE  30          1HG1      ILE  30  -5.977  -4.815  -2.682
  251   1HG2  ILE  30          1HG2      ILE  30  -5.629  -5.243  -0.018
  252   2HG2  ILE  30          2HG2      ILE  30  -4.092  -6.015   0.370
  253   3HG2  ILE  30          3HG2      ILE  30  -5.218  -6.799  -0.738
  254   1HD1  ILE  30          1HD1      ILE  30  -5.038  -2.847  -0.653
  255   2HD1  ILE  30          2HD1      ILE  30  -6.624  -3.589  -0.853
  256   3HD1  ILE  30          3HD1      ILE  30  -6.096  -2.322  -1.961
  257    H    ASP  31           H        ASP  31  -2.386  -4.866   1.329
  258    HA   ASP  31           HA       ASP  31  -0.326  -6.823   0.578
  259   1HB   ASP  31          2HB       ASP  31   0.252  -4.428   1.687
  260   2HB   ASP  31          1HB       ASP  31   0.042  -5.400   3.140
  261    H    GLU  32           H        GLU  32  -3.071  -6.133   2.560
  262    HA   GLU  32           HA       GLU  32  -3.193  -8.850   3.419
  263   1HB   GLU  32          2HB       GLU  32  -1.939  -6.905   5.162
  264   2HB   GLU  32          1HB       GLU  32  -3.350  -7.630   5.920
  265   1HG   GLU  32          2HG       GLU  32  -1.261  -9.326   4.613
  266   2HG   GLU  32          1HG       GLU  32  -1.058  -8.731   6.260
  267    H    MET  33           H        MET  33  -5.083  -9.281   4.794
  268    HA   MET  33           HA       MET  33  -7.114  -7.226   4.937
  269   1HB   MET  33          2HB       MET  33  -8.761  -8.726   3.696
  270   2HB   MET  33          1HB       MET  33  -7.582  -7.860   2.721
  271   1HG   MET  33          2HG       MET  33  -6.209  -9.884   2.596
  272   2HG   MET  33          1HG       MET  33  -7.410 -10.747   3.554
  273   1HE   MET  33          1HE       MET  33  -8.687  -8.869  -0.445
  274   2HE   MET  33          2HE       MET  33  -7.222  -8.383   0.408
  275   3HE   MET  33          3HE       MET  33  -8.803  -8.080   1.128
  276    HA   PRO  34           HA       PRO  34  -8.629  -9.347   8.475
  277   1HB   PRO  34          2HB       PRO  34 -11.305  -9.529   7.179
  278   2HB   PRO  34          1HB       PRO  34 -10.859  -8.860   8.753
  279   1HG   PRO  34          2HG       PRO  34 -11.446  -7.254   6.711
  280   2HG   PRO  34          1HG       PRO  34 -10.141  -6.850   7.844
  281   1HD   PRO  34          2HD       PRO  34  -9.975  -7.925   5.062
  282   2HD   PRO  34          1HD       PRO  34  -8.918  -6.761   5.889
  283    H    GLU  35           H        GLU  35  -8.696 -11.411   9.171
  284    HA   GLU  35           HA       GLU  35  -8.708 -13.511   7.190
  285   1HB   GLU  35          2HB       GLU  35  -7.561 -13.132   9.766
  286   2HB   GLU  35          1HB       GLU  35  -8.566 -14.575   9.826
  287   1HG   GLU  35          2HG       GLU  35  -6.257 -15.097   9.249
  288   2HG   GLU  35          1HG       GLU  35  -7.369 -15.522   7.948
  289    H    ALA  36           H        ALA  36 -10.170 -13.592  10.389
  290    HA   ALA  36           HA       ALA  36 -12.847 -13.837   9.479
  291   1HB   ALA  36          1HB       ALA  36 -11.413 -16.157   9.143
  292   2HB   ALA  36          2HB       ALA  36 -13.168 -16.042   9.278
  293   3HB   ALA  36          3HB       ALA  36 -12.196 -16.402  10.704
  294    H    ALA  37           H        ALA  37 -10.482 -14.583  11.970
  295    HA   ALA  37           HA       ALA  37 -11.972 -13.132  13.938
  296   1HB   ALA  37          1HB       ALA  37 -12.544 -14.844  15.416
  297   2HB   ALA  37          2HB       ALA  37 -11.480 -16.010  14.627
  298   3HB   ALA  37          3HB       ALA  37 -12.975 -15.506  13.839
  299    H    VAL  38           H        VAL  38 -10.035 -11.931  13.942
  300    HA   VAL  38           HA       VAL  38  -7.990 -13.045  15.682
  301    HB   VAL  38           HB       VAL  38  -6.183 -12.119  14.133
  302   1HG1  VAL  38          1HG1      VAL  38  -7.226 -14.620  14.432
  303   2HG1  VAL  38          2HG1      VAL  38  -5.768 -14.234  13.516
  304   3HG1  VAL  38          3HG1      VAL  38  -7.314 -14.399  12.684
  305   1HG2  VAL  38          1HG2      VAL  38  -8.358 -11.285  12.643
  306   2HG2  VAL  38          2HG2      VAL  38  -7.759 -12.686  11.756
  307   3HG2  VAL  38          3HG2      VAL  38  -6.681 -11.334  12.103
  308    H    LYS  39           H        LYS  39 -10.082 -10.807  15.508
  309    HA   LYS  39           HA       LYS  39 -10.312  -8.600  16.046
  310   1HB   LYS  39          2HB       LYS  39  -7.865  -9.035  17.744
  311   2HB   LYS  39          1HB       LYS  39  -9.235  -7.981  18.065
  312   1HG   LYS  39          2HG       LYS  39 -10.441  -9.625  18.986
  313   2HG   LYS  39          1HG       LYS  39  -9.940 -10.808  17.775
  314   1HD   LYS  39          2HD       LYS  39  -7.623 -10.456  19.133
  315   2HD   LYS  39          1HD       LYS  39  -8.803 -10.202  20.422
  316   1HE   LYS  39          2HE       LYS  39  -8.301 -12.511  20.436
  317   2HE   LYS  39          1HE       LYS  39  -9.887 -12.358  19.682
  318   1HZ   LYS  39          1HZ       LYS  39  -7.294 -12.955  18.403
  319   2HZ   LYS  39          2HZ       LYS  39  -8.593 -12.355  17.501
  320   3HZ   LYS  39          3HZ       LYS  39  -8.742 -13.828  18.319
  321    H    SER  40           H        SER  40  -8.705  -6.549  16.689
  322    HA   SER  40           HA       SER  40  -7.533  -4.858  15.710
  323   1HB   SER  40          2HB       SER  40  -5.578  -6.792  14.558
  324   2HB   SER  40          1HB       SER  40  -5.289  -5.298  15.449
  325    HG   SER  40           HG       SER  40  -6.143  -6.508  17.319
  326    H    THR  41           H        THR  41  -9.613  -6.107  14.105
  327    HA   THR  41           HA       THR  41  -8.991  -4.885  11.598
  328    HB   THR  41           HB       THR  41  -9.658  -7.260  10.491
  329    HG1  THR  41           1HG      THR  41  -7.949  -7.923  12.650
  330   1HG2  THR  41          1HG2      THR  41  -7.242  -5.744  10.752
  331   2HG2  THR  41          2HG2      THR  41  -7.798  -6.751   9.415
  332   3HG2  THR  41          3HG2      THR  41  -6.887  -7.472  10.742
  333    H    ALA  42           H        ALA  42 -10.851  -3.710  12.051
  334    HA   ALA  42           HA       ALA  42 -13.370  -4.992  12.524
  335   1HB   ALA  42          1HB       ALA  42 -12.561  -2.154  11.964
  336   2HB   ALA  42          2HB       ALA  42 -13.175  -2.849  13.463
  337   3HB   ALA  42          3HB       ALA  42 -14.254  -2.635  12.085
  338    H    ASN  43           H        ASN  43 -12.583  -2.701   9.946
  339    HA   ASN  43           HA       ASN  43 -13.324  -4.548   7.873
  340   1HB   ASN  43          2HB       ASN  43 -15.414  -3.173   8.993
  341   2HB   ASN  43          1HB       ASN  43 -14.960  -2.112   7.664
  342   1HD2  ASN  43          1HD2      ASN  43 -15.173  -2.835   5.550
  343   2HD2  ASN  43          2HD2      ASN  43 -16.121  -4.221   5.143
  344    H    LYS  44           H        LYS  44 -10.921  -3.518   8.156
  345    HA   LYS  44           HA       LYS  44 -10.775  -1.509   6.017
  346   1HB   LYS  44          2HB       LYS  44  -8.797  -1.353   8.244
  347   2HB   LYS  44          1HB       LYS  44  -9.380  -0.086   7.175
  348   1HG   LYS  44          2HG       LYS  44 -11.225   0.343   8.460
  349   2HG   LYS  44          1HG       LYS  44 -11.285  -1.293   9.120
  350   1HD   LYS  44          2HD       LYS  44  -9.099   0.670   9.782
  351   2HD   LYS  44          1HD       LYS  44 -10.579   0.520  10.731
  352   1HE   LYS  44          2HE       LYS  44  -9.628  -2.091  10.410
  353   2HE   LYS  44          1HE       LYS  44  -8.203  -1.114  10.762
  354   1HZ   LYS  44          1HZ       LYS  44  -9.688  -0.163  12.632
  355   2HZ   LYS  44          2HZ       LYS  44  -8.951  -1.669  12.848
  356   3HZ   LYS  44          3HZ       LYS  44 -10.586  -1.582  12.423
  357    H    TYR  45           H        TYR  45  -9.042  -1.660   4.648
  358    HA   TYR  45           HA       TYR  45  -7.581  -4.201   4.737
  359   1HB   TYR  45          2HB       TYR  45  -7.831  -2.137   2.530
  360   2HB   TYR  45          1HB       TYR  45  -6.996  -3.681   2.391
  361    HD1  TYR  45           1HD      TYR  45 -10.293  -2.076   2.767
  362    HD2  TYR  45           2HD      TYR  45  -8.207  -5.716   2.056
  363    HE1  TYR  45           1HE      TYR  45 -12.405  -3.151   2.111
  364    HE2  TYR  45           2HE      TYR  45 -10.314  -6.800   1.395
  365    HH   TYR  45           HH       TYR  45 -12.873  -5.421   0.436
  366    H    GLN  46           H        GLN  46  -5.282  -4.263   4.363
  367    HA   GLN  46           HA       GLN  46  -3.914  -1.910   5.461
  368   1HB   GLN  46          2HB       GLN  46  -3.682  -4.375   6.353
  369   2HB   GLN  46          1HB       GLN  46  -2.558  -4.543   5.012
  370   1HG   GLN  46          2HG       GLN  46  -1.945  -2.144   6.410
  371   2HG   GLN  46          1HG       GLN  46  -2.096  -3.455   7.577
  372   1HE2  GLN  46          1HE2      GLN  46   0.249  -2.799   7.751
  373   2HE2  GLN  46          2HE2      GLN  46   1.369  -3.654   6.752
  374    H    VAL  47           H        VAL  47  -3.313  -0.549   3.913
  375    HA   VAL  47           HA       VAL  47  -2.307  -1.636   1.386
  376    HB   VAL  47           HB       VAL  47  -2.748   0.476   0.370
  377   1HG1  VAL  47          1HG1      VAL  47  -5.240   0.777   1.455
  378   2HG1  VAL  47          2HG1      VAL  47  -4.828  -0.874   1.917
  379   3HG1  VAL  47          3HG1      VAL  47  -4.800  -0.400   0.218
  380   1HG2  VAL  47          1HG2      VAL  47  -2.693   1.447   3.135
  381   2HG2  VAL  47          2HG2      VAL  47  -3.973   2.148   2.145
  382   3HG2  VAL  47          3HG2      VAL  47  -2.290   2.278   1.631
  383    H    PHE  48           H        PHE  48  -0.443  -0.885   0.427
  384    HA   PHE  48           HA       PHE  48   1.571   0.169   2.300
  385   1HB   PHE  48          2HB       PHE  48   2.070  -2.045   1.350
  386   2HB   PHE  48          1HB       PHE  48   1.929  -1.387  -0.276
  387    HD1  PHE  48           1HD      PHE  48   3.749  -0.519   2.873
  388    HD2  PHE  48           2HD      PHE  48   3.915  -1.036  -1.349
  389    HE1  PHE  48           1HE      PHE  48   6.145   0.047   2.901
  390    HE2  PHE  48           2HE      PHE  48   6.310  -0.473  -1.329
  391    HZ   PHE  48           HZ       PHE  48   7.428   0.070   0.798
  392    H    PHE  49           H        PHE  49   2.286   2.180   1.981
  393    HA   PHE  49           HA       PHE  49   1.536   3.596  -0.458
  394   1HB   PHE  49          2HB       PHE  49   2.650   4.566   2.180
  395   2HB   PHE  49          1HB       PHE  49   2.326   5.619   0.805
  396    HD1  PHE  49           1HD      PHE  49  -0.119   5.431  -0.170
  397    HD2  PHE  49           2HD      PHE  49   1.021   4.300   3.770
  398    HE1  PHE  49           1HE      PHE  49  -2.452   5.658   0.565
  399    HE2  PHE  49           2HE      PHE  49  -1.307   4.529   4.508
  400    HZ   PHE  49           HZ       PHE  49  -3.051   5.204   2.909
  401    H    PHE  50           H        PHE  50   2.960   3.407  -2.086
  402    HA   PHE  50           HA       PHE  50   5.668   2.725  -1.804
  403   1HB   PHE  50          2HB       PHE  50   4.123   3.969  -4.079
  404   2HB   PHE  50          1HB       PHE  50   5.831   3.566  -4.207
  405    HD1  PHE  50           1HD      PHE  50   2.659   2.432  -4.936
  406    HD2  PHE  50           2HD      PHE  50   6.351   1.075  -3.309
  407    HE1  PHE  50           1HE      PHE  50   2.068   0.118  -5.528
  408    HE2  PHE  50           2HE      PHE  50   5.767  -1.239  -3.905
  409    HZ   PHE  50           HZ       PHE  50   3.624  -1.719  -5.016
  410    H    GLY  51           H        GLY  51   7.379   4.250  -2.981
  411   1HA   GLY  51          2HA       GLY  51   8.614   6.195  -2.910
  412   2HA   GLY  51          1HA       GLY  51   7.137   7.051  -2.487
  413    H    THR  52           H        THR  52   6.358   6.417  -0.165
  414    HA   THR  52           HA       THR  52   8.585   7.007   1.624
  415    HB   THR  52           HB       THR  52   6.801   7.464   3.283
  416    HG1  THR  52           1HG      THR  52   5.313   5.935   2.038
  417   1HG2  THR  52          1HG2      THR  52   7.370   9.398   2.137
  418   2HG2  THR  52          2HG2      THR  52   5.617   9.306   1.965
  419   3HG2  THR  52          3HG2      THR  52   6.661   8.823   0.628
  420    H    HIS  53           H        HIS  53   6.503   4.414   0.736
  421    HA   HIS  53           HA       HIS  53   6.385   2.230   1.375
  422   1HB   HIS  53          2HB       HIS  53   8.912   2.881   2.915
  423   2HB   HIS  53          1HB       HIS  53   8.284   1.261   2.632
  424    HD1  HIS  53           1HD      HIS  53   9.823   0.209   1.005
  425    HD2  HIS  53           2HD      HIS  53   8.938   4.136  -0.016
  426    HE1  HIS  53           1HE      HIS  53  10.953   0.599  -1.207
  427    HE2  HIS  53           2HE      HIS  53  10.476   3.010  -1.763
  428    H    GLU  54           H        GLU  54   4.943   4.201   2.797
  429    HA   GLU  54           HA       GLU  54   5.062   3.406   5.601
  430   1HB   GLU  54          2HB       GLU  54   3.193   5.365   4.257
  431   2HB   GLU  54          1HB       GLU  54   3.443   5.170   5.987
  432   1HG   GLU  54          2HG       GLU  54   5.672   6.014   5.831
  433   2HG   GLU  54          1HG       GLU  54   5.600   6.025   4.069
  434    H    THR  55           H        THR  55   3.161   2.621   6.731
  435    HA   THR  55           HA       THR  55   1.283   1.232   4.949
  436    HB   THR  55           HB       THR  55   1.361  -0.280   7.282
  437    HG1  THR  55           1HG      THR  55   3.584  -0.699   7.547
  438   1HG2  THR  55          1HG2      THR  55   2.983  -1.724   5.737
  439   2HG2  THR  55          2HG2      THR  55   2.332  -0.624   4.522
  440   3HG2  THR  55          3HG2      THR  55   1.241  -1.624   5.482
  441    H    ALA  56           H        ALA  56  -0.815   1.202   5.460
  442    HA   ALA  56           HA       ALA  56  -1.739   2.158   8.034
  443   1HB   ALA  56          1HB       ALA  56  -1.198   4.127   6.385
  444   2HB   ALA  56          2HB       ALA  56  -2.623   4.172   7.426
  445   3HB   ALA  56          3HB       ALA  56  -2.783   3.714   5.730
  446    H    PHE  57           H        PHE  57  -4.282   2.464   7.852
  447    HA   PHE  57           HA       PHE  57  -5.301   0.192   6.282
  448   1HB   PHE  57          2HB       PHE  57  -6.033   1.099   9.067
  449   2HB   PHE  57          1HB       PHE  57  -7.013  -0.033   8.141
  450    HD1  PHE  57           1HD      PHE  57  -6.743  -2.219   8.748
  451    HD2  PHE  57           2HD      PHE  57  -3.383   0.386   8.926
  452    HE1  PHE  57           1HE      PHE  57  -5.347  -4.080   9.552
  453    HE2  PHE  57           2HE      PHE  57  -1.981  -1.468   9.727
  454    HZ   PHE  57           HZ       PHE  57  -2.963  -3.705  10.041
  455    H    LEU  58           H        LEU  58  -6.888   0.636   4.890
  456    HA   LEU  58           HA       LEU  58  -8.599   2.960   5.380
  457   1HB   LEU  58          2HB       LEU  58  -7.061   2.412   2.848
  458   2HB   LEU  58          1HB       LEU  58  -8.421   3.515   2.923
  459    HG   LEU  58           HG       LEU  58  -6.933   4.550   4.902
  460   1HD1  LEU  58          1HD1      LEU  58  -4.812   3.761   2.949
  461   2HD1  LEU  58          2HD1      LEU  58  -5.200   2.720   4.318
  462   3HD1  LEU  58          3HD1      LEU  58  -4.648   4.372   4.594
  463   1HD2  LEU  58          1HD2      LEU  58  -7.722   5.318   2.401
  464   2HD2  LEU  58          2HD2      LEU  58  -5.966   5.429   2.285
  465   3HD2  LEU  58          3HD2      LEU  58  -6.827   6.323   3.539
  466    H    GLY  59           H        GLY  59 -10.558   2.965   4.011
  467   1HA   GLY  59          2HA       GLY  59 -11.534   0.225   3.719
  468   2HA   GLY  59          1HA       GLY  59 -12.523   1.675   3.796
  469    HA   PRO  60           HA       PRO  60 -12.003   0.114  -0.650
  470   1HB   PRO  60          2HB       PRO  60 -14.669  -0.257  -1.125
  471   2HB   PRO  60          1HB       PRO  60 -13.592  -1.530  -0.541
  472   1HG   PRO  60          2HG       PRO  60 -15.490   0.199   0.995
  473   2HG   PRO  60          1HG       PRO  60 -15.177  -1.539   1.157
  474   1HD   PRO  60          2HD       PRO  60 -14.117   0.271   2.851
  475   2HD   PRO  60          1HD       PRO  60 -13.245  -1.203   2.383
  476    H    LYS  61           H        LYS  61 -14.075   2.403   1.010
  477    HA   LYS  61           HA       LYS  61 -14.902   3.844  -1.293
  478   1HB   LYS  61          2HB       LYS  61 -14.708   4.773   1.577
  479   2HB   LYS  61          1HB       LYS  61 -15.601   5.577   0.293
  480   1HG   LYS  61          2HG       LYS  61 -16.187   2.771   1.200
  481   2HG   LYS  61          1HG       LYS  61 -16.974   4.199   1.873
  482   1HD   LYS  61          2HD       LYS  61 -17.572   4.776  -0.553
  483   2HD   LYS  61          1HD       LYS  61 -17.133   3.106  -0.919
  484   1HE   LYS  61          2HE       LYS  61 -18.749   2.680   1.170
  485   2HE   LYS  61          1HE       LYS  61 -19.450   4.184   0.575
  486   1HZ   LYS  61          1HZ       LYS  61 -20.155   1.804  -0.337
  487   2HZ   LYS  61          2HZ       LYS  61 -18.898   2.137  -1.419
  488   3HZ   LYS  61          3HZ       LYS  61 -20.208   3.200  -1.291
  489    H    ASP  62           H        ASP  62 -12.055   3.864   0.686
  490    HA   ASP  62           HA       ASP  62 -11.113   6.337  -0.573
  491   1HB   ASP  62          2HB       ASP  62 -10.241   4.790   1.852
  492   2HB   ASP  62          1HB       ASP  62  -9.170   5.972   1.106
  493    H    LEU  63           H        LEU  63 -11.154   3.259  -1.464
  494    HA   LEU  63           HA       LEU  63  -8.398   3.290  -2.493
  495   1HB   LEU  63          2HB       LEU  63 -10.229   0.934  -2.034
  496   2HB   LEU  63          1HB       LEU  63  -8.629   0.841  -2.743
  497    HG   LEU  63           HG       LEU  63  -9.027   1.966   0.012
  498   1HD1  LEU  63          1HD1      LEU  63  -9.055  -0.883  -0.859
  499   2HD1  LEU  63          2HD1      LEU  63  -9.970  -0.084   0.420
  500   3HD1  LEU  63          3HD1      LEU  63  -8.261  -0.453   0.656
  501   1HD2  LEU  63          1HD2      LEU  63  -6.750   1.624   0.277
  502   2HD2  LEU  63          2HD2      LEU  63  -6.871   2.147  -1.403
  503   3HD2  LEU  63          3HD2      LEU  63  -6.674   0.436  -1.024
  504    H    PHE  64           H        PHE  64  -8.068   3.140  -4.667
  505    HA   PHE  64           HA       PHE  64 -10.396   2.681  -6.399
  506   1HB   PHE  64          2HB       PHE  64  -8.423   4.918  -6.889
  507   2HB   PHE  64          1HB       PHE  64  -9.925   4.602  -7.748
  508    HD1  PHE  64           1HD      PHE  64  -8.745   5.278  -4.270
  509    HD2  PHE  64           2HD      PHE  64 -11.736   5.905  -7.232
  510    HE1  PHE  64           1HE      PHE  64  -9.933   6.797  -2.743
  511    HE2  PHE  64           2HE      PHE  64 -12.929   7.428  -5.709
  512    HZ   PHE  64           HZ       PHE  64 -12.027   7.874  -3.462
  513    HA   PRO  65           HA       PRO  65  -7.647   0.260  -8.855
  514   1HB   PRO  65          2HB       PRO  65  -8.805   1.292 -11.335
  515   2HB   PRO  65          1HB       PRO  65  -8.932  -0.322 -10.634
  516   1HG   PRO  65          2HG       PRO  65 -11.029   1.378 -10.741
  517   2HG   PRO  65          1HG       PRO  65 -10.817   0.206  -9.427
  518   1HD   PRO  65          2HD       PRO  65 -10.222   3.144  -9.464
  519   2HD   PRO  65          1HD       PRO  65 -10.968   2.161  -8.185
  520    H    TYR  66           H        TYR  66  -5.563   0.855  -8.962
  521    HA   TYR  66           HA       TYR  66  -4.548   3.350  -9.591
  522   1HB   TYR  66          2HB       TYR  66  -3.188   1.692  -8.476
  523   2HB   TYR  66          1HB       TYR  66  -3.240   0.640  -9.889
  524    HD1  TYR  66           1HD      TYR  66  -1.963   3.883  -8.632
  525    HD2  TYR  66           2HD      TYR  66  -1.696   0.906 -11.658
  526    HE1  TYR  66           1HE      TYR  66   0.068   4.961  -9.507
  527    HE2  TYR  66           2HE      TYR  66   0.335   1.973 -12.541
  528    HH   TYR  66           HH       TYR  66   1.335   5.083 -11.597
  529    H    GLU  67           H        GLU  67  -4.511   0.502 -11.743
  530    HA   GLU  67           HA       GLU  67  -3.492   1.679 -14.008
  531   1HB   GLU  67          2HB       GLU  67  -5.354  -0.599 -13.538
  532   2HB   GLU  67          1HB       GLU  67  -5.154  -0.028 -15.189
  533   1HG   GLU  67          2HG       GLU  67  -3.471  -1.504 -15.223
  534   2HG   GLU  67          1HG       GLU  67  -2.577  -0.207 -14.432
  535    H    GLU  68           H        GLU  68  -6.849   1.634 -12.949
  536    HA   GLU  68           HA       GLU  68  -7.882   2.958 -15.230
  537   1HB   GLU  68          2HB       GLU  68  -8.980   1.571 -13.160
  538   2HB   GLU  68          1HB       GLU  68  -9.423   3.221 -12.745
  539   1HG   GLU  68          2HG       GLU  68 -10.010   1.835 -15.352
  540   2HG   GLU  68          1HG       GLU  68 -11.159   2.115 -14.045
  541    H    SER  69           H        SER  69  -6.821   4.116 -12.055
  542    HA   SER  69           HA       SER  69  -7.475   6.849 -12.930
  543   1HB   SER  69          2HB       SER  69  -6.735   5.986 -10.135
  544   2HB   SER  69          1HB       SER  69  -7.492   7.499 -10.633
  545    HG   SER  69           HG       SER  69  -8.602   4.984 -10.276
  546    H    LYS  70           H        LYS  70  -4.926   4.995 -13.318
  547    HA   LYS  70           HA       LYS  70  -2.777   6.233 -12.059
  548   1HB   LYS  70          2HB       LYS  70  -1.369   5.174 -13.643
  549   2HB   LYS  70          1HB       LYS  70  -2.732   4.095 -13.392
  550   1HG   LYS  70          2HG       LYS  70  -3.703   4.726 -15.484
  551   2HG   LYS  70          1HG       LYS  70  -2.506   6.002 -15.708
  552   1HD   LYS  70          2HD       LYS  70  -1.323   4.505 -16.866
  553   2HD   LYS  70          1HD       LYS  70  -0.969   3.742 -15.315
  554   1HE   LYS  70          2HE       LYS  70  -2.461   2.051 -15.650
  555   2HE   LYS  70          1HE       LYS  70  -3.531   3.044 -16.639
  556   1HZ   LYS  70          1HZ       LYS  70  -0.872   2.166 -17.599
  557   2HZ   LYS  70          2HZ       LYS  70  -2.171   2.757 -18.506
  558   3HZ   LYS  70          3HZ       LYS  70  -2.259   1.219 -17.809
  559    H    GLU  71           H        GLU  71  -4.319   7.059 -15.148
  560    HA   GLU  71           HA       GLU  71  -2.505   9.126 -15.813
  561   1HB   GLU  71          2HB       GLU  71  -5.107   8.149 -16.822
  562   2HB   GLU  71          1HB       GLU  71  -4.720   9.824 -17.190
  563   1HG   GLU  71          2HG       GLU  71  -2.716   7.677 -17.720
  564   2HG   GLU  71          1HG       GLU  71  -4.047   7.950 -18.844
  565    H    LYS  72           H        LYS  72  -5.472   9.089 -13.926
  566    HA   LYS  72           HA       LYS  72  -5.632  11.973 -13.841
  567   1HB   LYS  72          2HB       LYS  72  -7.581  11.649 -12.433
  568   2HB   LYS  72          1HB       LYS  72  -7.671  10.605 -13.843
  569   1HG   LYS  72          2HG       LYS  72  -7.021   8.697 -12.530
  570   2HG   LYS  72          1HG       LYS  72  -6.765   9.717 -11.115
  571   1HD   LYS  72          2HD       LYS  72  -8.868   8.938 -10.663
  572   2HD   LYS  72          1HD       LYS  72  -9.272  10.393 -11.574
  573   1HE   LYS  72          2HE       LYS  72  -9.288   8.893 -13.637
  574   2HE   LYS  72          1HE       LYS  72  -9.284   7.538 -12.509
  575   1HZ   LYS  72          1HZ       LYS  72 -11.271   9.552 -11.939
  576   2HZ   LYS  72          2HZ       LYS  72 -11.419   7.867 -11.989
  577   3HZ   LYS  72          3HZ       LYS  72 -11.494   8.764 -13.422
  578    H    PHE  73           H        PHE  73  -4.773   9.386 -11.561
  579    HA   PHE  73           HA       PHE  73  -4.030  11.414  -9.585
  580   1HB   PHE  73          2HB       PHE  73  -4.177   8.407  -9.322
  581   2HB   PHE  73          1HB       PHE  73  -3.856   9.538  -8.013
  582    HD1  PHE  73           1HD      PHE  73  -5.955  11.594  -9.194
  583    HD2  PHE  73           2HD      PHE  73  -6.077   7.472  -8.136
  584    HE1  PHE  73           1HE      PHE  73  -8.368  11.779  -8.757
  585    HE2  PHE  73           2HE      PHE  73  -8.491   7.651  -7.703
  586    HZ   PHE  73           HZ       PHE  73  -9.639   9.806  -8.013
  587    H    GLY  74           H        GLY  74  -2.495   9.653 -12.021
  588   1HA   GLY  74          2HA       GLY  74   0.003   9.331 -10.570
  589   2HA   GLY  74          1HA       GLY  74  -0.298   8.878 -12.238
  590    H    LYS  75           H        LYS  75   0.171  11.706 -10.127
  591    HA   LYS  75           HA       LYS  75   1.819  12.919 -12.189
  592   1HB   LYS  75          2HB       LYS  75  -0.747  14.099 -11.163
  593   2HB   LYS  75          1HB       LYS  75   0.555  15.135 -11.731
  594   1HG   LYS  75          2HG       LYS  75  -0.548  12.923 -13.427
  595   2HG   LYS  75          1HG       LYS  75  -1.291  14.523 -13.381
  596   1HD   LYS  75          2HD       LYS  75   1.645  14.262 -13.875
  597   2HD   LYS  75          1HD       LYS  75   0.507  13.968 -15.190
  598   1HE   LYS  75          2HE       LYS  75   0.762  16.484 -13.548
  599   2HE   LYS  75          1HE       LYS  75   1.232  16.274 -15.235
  600   1HZ   LYS  75          1HZ       LYS  75  -1.457  16.490 -14.069
  601   2HZ   LYS  75          2HZ       LYS  75  -1.253  15.613 -15.500
  602   3HZ   LYS  75          3HZ       LYS  75  -0.816  17.246 -15.442
  603    HA   PRO  76           HA       PRO  76   4.320  14.297  -8.841
  604   1HB   PRO  76          2HB       PRO  76   4.769  16.949  -9.485
  605   2HB   PRO  76          1HB       PRO  76   5.655  15.581 -10.165
  606   1HG   PRO  76          2HG       PRO  76   3.355  17.112 -11.310
  607   2HG   PRO  76          1HG       PRO  76   4.803  16.488 -12.122
  608   1HD   PRO  76          2HD       PRO  76   2.440  15.241 -12.330
  609   2HD   PRO  76          1HD       PRO  76   3.960  14.327 -12.233
  610    H    ASN  77           H        ASN  77   4.274  15.391  -6.878
  611    HA   ASN  77           HA       ASN  77   1.947  17.127  -6.398
  612   1HB   ASN  77          2HB       ASN  77   2.325  14.477  -5.384
  613   2HB   ASN  77          1HB       ASN  77   2.379  15.611  -4.039
  614   1HD2  ASN  77          1HD2      ASN  77   0.398  13.730  -5.832
  615   2HD2  ASN  77          2HD2      ASN  77  -1.102  14.544  -5.569
  616    H    LYS  78           H        LYS  78   2.083  18.166  -4.176
  617    HA   LYS  78           HA       LYS  78   4.736  19.338  -3.928
  618   1HB   LYS  78          2HB       LYS  78   1.976  20.131  -3.155
  619   2HB   LYS  78          1HB       LYS  78   3.299  20.756  -2.180
  620   1HG   LYS  78          2HG       LYS  78   2.829  22.374  -3.840
  621   2HG   LYS  78          1HG       LYS  78   4.343  21.592  -4.299
  622   1HD   LYS  78          2HD       LYS  78   3.246  21.578  -6.312
  623   2HD   LYS  78          1HD       LYS  78   2.735  20.019  -5.664
  624   1HE   LYS  78          2HE       LYS  78   1.006  22.203  -4.826
  625   2HE   LYS  78          1HE       LYS  78   1.084  22.037  -6.580
  626   1HZ   LYS  78          1HZ       LYS  78  -0.348  20.375  -6.392
  627   2HZ   LYS  78          2HZ       LYS  78  -0.283  20.424  -4.702
  628   3HZ   LYS  78          3HZ       LYS  78   0.821  19.476  -5.562
  629    H    ARG  79           H        ARG  79   2.835  16.970  -2.364
  630    HA   ARG  79           HA       ARG  79   3.731  17.312   0.294
  631   1HB   ARG  79          2HB       ARG  79   2.725  14.871  -1.168
  632   2HB   ARG  79          1HB       ARG  79   3.057  14.906   0.557
  633   1HG   ARG  79          2HG       ARG  79   1.055  16.655  -0.854
  634   2HG   ARG  79          1HG       ARG  79   0.676  15.179   0.036
  635   1HD   ARG  79          2HD       ARG  79   1.447  16.150   2.090
  636   2HD   ARG  79          1HD       ARG  79   2.054  17.572   1.245
  637    HE   ARG  79           HE       ARG  79  -0.717  17.264   0.778
  638   1HH1  ARG  79          1HH1      ARG  79   1.546  18.221   3.257
  639   2HH1  ARG  79          2HH1      ARG  79   0.425  19.280   4.046
  640   1HH2  ARG  79          1HH2      ARG  79  -2.191  18.659   1.813
  641   2HH2  ARG  79          2HH2      ARG  79  -1.696  19.529   3.226
  642    H    LYS  80           H        LYS  80   5.296  16.291  -2.505
  643    HA   LYS  80           HA       LYS  80   7.358  15.482  -2.942
  644   1HB   LYS  80          2HB       LYS  80   7.798  16.178  -0.035
  645   2HB   LYS  80          1HB       LYS  80   9.076  15.644  -1.118
  646   1HG   LYS  80          2HG       LYS  80   7.538  18.207  -1.134
  647   2HG   LYS  80          1HG       LYS  80   9.283  17.950  -1.156
  648   1HD   LYS  80          2HD       LYS  80   9.059  17.021  -3.455
  649   2HD   LYS  80          1HD       LYS  80   7.344  17.443  -3.421
  650   1HE   LYS  80          2HE       LYS  80   7.934  19.797  -3.108
  651   2HE   LYS  80          1HE       LYS  80   9.645  19.376  -3.131
  652   1HZ   LYS  80          1HZ       LYS  80   9.654  19.307  -5.341
  653   2HZ   LYS  80          2HZ       LYS  80   8.149  20.078  -5.289
  654   3HZ   LYS  80          3HZ       LYS  80   8.231  18.394  -5.422
  655    H    GLY  81           H        GLY  81   8.416  13.533  -2.977
  656   1HA   GLY  81          2HA       GLY  81   8.881  11.326  -2.310
  657   2HA   GLY  81          1HA       GLY  81   7.760  11.523  -0.968
  658    H    PHE  82           H        PHE  82   5.810  12.687  -3.067
  659    HA   PHE  82           HA       PHE  82   4.223  10.422  -3.427
  660   1HB   PHE  82          2HB       PHE  82   3.328  12.688  -3.489
  661   2HB   PHE  82          1HB       PHE  82   4.259  13.045  -4.939
  662    HD1  PHE  82           1HD      PHE  82   3.751  11.678  -7.031
  663    HD2  PHE  82           2HD      PHE  82   1.187  11.825  -3.640
  664    HE1  PHE  82           1HE      PHE  82   1.877  10.907  -8.421
  665    HE2  PHE  82           2HE      PHE  82  -0.691  11.054  -5.023
  666    HZ   PHE  82           HZ       PHE  82  -0.348  10.589  -7.415
  667    H    SER  83           H        SER  83   6.151  12.198  -5.841
  668    HA   SER  83           HA       SER  83   5.733  10.542  -8.014
  669   1HB   SER  83          2HB       SER  83   8.435  11.760  -7.550
  670   2HB   SER  83          1HB       SER  83   7.519  11.621  -9.049
  671    HG   SER  83           HG       SER  83   7.413  13.740  -8.346
  672    H    GLU  84           H        GLU  84   8.248  10.288  -5.513
  673    HA   GLU  84           HA       GLU  84   9.746   8.204  -6.493
  674   1HB   GLU  84          2HB       GLU  84   8.980   9.009  -3.708
  675   2HB   GLU  84          1HB       GLU  84   9.915   7.542  -3.967
  676   1HG   GLU  84          2HG       GLU  84  11.363   9.245  -5.437
  677   2HG   GLU  84          1HG       GLU  84  10.699  10.370  -4.252
  678    H    GLY  85           H        GLY  85   6.540   8.128  -5.101
  679   1HA   GLY  85          2HA       GLY  85   6.430   5.293  -4.764
  680   2HA   GLY  85          1HA       GLY  85   5.061   6.398  -4.742
  681    H    LEU  86           H        LEU  86   5.703   7.512  -7.369
  682    HA   LEU  86           HA       LEU  86   4.151   5.812  -8.975
  683   1HB   LEU  86          2HB       LEU  86   6.011   8.077  -9.688
  684   2HB   LEU  86          1HB       LEU  86   5.007   7.257 -10.868
  685    HG   LEU  86           HG       LEU  86   3.933   8.710  -8.449
  686   1HD1  LEU  86          1HD1      LEU  86   3.895   9.644 -11.308
  687   2HD1  LEU  86          2HD1      LEU  86   5.102  10.167 -10.132
  688   3HD1  LEU  86          3HD1      LEU  86   3.397  10.532  -9.868
  689   1HD2  LEU  86          1HD2      LEU  86   2.572   7.599 -10.901
  690   2HD2  LEU  86          2HD2      LEU  86   1.792   8.527  -9.620
  691   3HD2  LEU  86          3HD2      LEU  86   2.475   6.940  -9.269
  692    H    TRP  87           H        TRP  87   7.647   6.319  -8.793
  693    HA   TRP  87           HA       TRP  87   8.367   4.611 -10.920
  694   1HB   TRP  87          2HB       TRP  87   9.934   6.240 -10.044
  695   2HB   TRP  87          1HB       TRP  87   9.907   5.476  -8.457
  696    HD1  TRP  87           HD       TRP  87  11.550   5.247 -11.849
  697    HE1  TRP  87           1HE      TRP  87  13.345   3.406 -11.808
  698    HE3  TRP  87           3HE      TRP  87  10.449   3.143  -7.321
  699    HZ2  TRP  87           2HZ      TRP  87  14.181   1.329 -10.084
  700    HZ3  TRP  87           3HZ      TRP  87  11.793   1.233  -6.549
  701    HH2  TRP  87           HH       TRP  87  13.619   0.345  -7.904
  702    H    GLU  88           H        GLU  88   8.075   4.020  -7.415
  703    HA   GLU  88           HA       GLU  88   9.004   1.369  -7.456
  704   1HB   GLU  88          2HB       GLU  88   7.790   3.175  -5.550
  705   2HB   GLU  88          1HB       GLU  88   7.161   1.545  -5.356
  706   1HG   GLU  88          2HG       GLU  88   8.956   1.133  -4.126
  707   2HG   GLU  88          1HG       GLU  88   9.875   1.154  -5.630
  708    H    ILE  89           H        ILE  89   5.642   2.600  -7.472
  709    HA   ILE  89           HA       ILE  89   4.315   0.190  -7.471
  710    HB   ILE  89           HB       ILE  89   3.264   2.440  -7.318
  711   1HG1  ILE  89          2HG1      ILE  89   1.569   1.374  -9.384
  712   2HG1  ILE  89          1HG1      ILE  89   2.244   0.058  -8.428
  713   1HG2  ILE  89          1HG2      ILE  89   3.655   3.912  -8.925
  714   2HG2  ILE  89          2HG2      ILE  89   2.571   2.980  -9.957
  715   3HG2  ILE  89          3HG2      ILE  89   4.305   2.672  -9.995
  716   1HD1  ILE  89          1HD1      ILE  89   0.620   0.451  -6.976
  717   2HD1  ILE  89          2HD1      ILE  89   0.199   1.980  -7.751
  718   3HD1  ILE  89          3HD1      ILE  89   1.488   1.926  -6.546
  719    H    GLU  90           H        GLU  90   6.086   1.673 -10.063
  720    HA   GLU  90           HA       GLU  90   5.048  -0.267 -11.991
  721   1HB   GLU  90          2HB       GLU  90   5.902   2.437 -12.168
  722   2HB   GLU  90          1HB       GLU  90   6.982   1.471 -13.162
  723   1HG   GLU  90          2HG       GLU  90   4.684   0.438 -13.987
  724   2HG   GLU  90          1HG       GLU  90   4.091   2.019 -13.476
  725    H    ASN  91           H        ASN  91   8.148   0.832 -10.646
  726    HA   ASN  91           HA       ASN  91   9.638  -1.157 -12.084
  727   1HB   ASN  91          2HB       ASN  91  10.315   0.950 -10.070
  728   2HB   ASN  91          1HB       ASN  91  11.481  -0.323 -10.419
  729   1HD2  ASN  91          1HD2      ASN  91   9.250   1.683 -12.323
  730   2HD2  ASN  91          2HD2      ASN  91  10.427   2.186 -13.483
  731    H    ASN  92           H        ASN  92   8.312  -0.858  -8.841
  732    HA   ASN  92           HA       ASN  92   8.771  -3.676  -8.413
  733   1HB   ASN  92          2HB       ASN  92  10.672  -1.864  -7.454
  734   2HB   ASN  92          1HB       ASN  92   9.693  -2.275  -6.049
  735   1HD2  ASN  92          1HD2      ASN  92   9.911  -4.230  -5.122
  736   2HD2  ASN  92          2HD2      ASN  92  10.999  -5.454  -5.671
  737    HA   PRO  93           HA       PRO  93   4.856  -2.213  -6.533
  738   1HB   PRO  93          2HB       PRO  93   3.693  -4.667  -7.538
  739   2HB   PRO  93          1HB       PRO  93   3.320  -3.003  -7.990
  740   1HG   PRO  93          2HG       PRO  93   4.542  -4.783  -9.662
  741   2HG   PRO  93          1HG       PRO  93   4.763  -3.027  -9.765
  742   1HD   PRO  93          2HD       PRO  93   6.548  -5.095  -8.535
  743   2HD   PRO  93          1HD       PRO  93   6.975  -3.672  -9.511
  744    H    THR  94           H        THR  94   6.787  -5.032  -6.174
  745    HA   THR  94           HA       THR  94   5.220  -5.902  -3.851
  746    HB   THR  94           HB       THR  94   6.343  -8.010  -4.003
  747    HG1  THR  94           1HG      THR  94   8.037  -6.683  -5.832
  748   1HG2  THR  94          1HG2      THR  94   6.087  -8.544  -6.530
  749   2HG2  THR  94          2HG2      THR  94   5.371  -6.934  -6.603
  750   3HG2  THR  94          3HG2      THR  94   4.666  -8.168  -5.558
  751    H    VAL  95           H        VAL  95   7.392  -3.660  -4.213
  752    HA   VAL  95           HA       VAL  95   9.596  -4.367  -2.625
  753    HB   VAL  95           HB       VAL  95   9.551  -2.370  -4.069
  754   1HG1  VAL  95          1HG1      VAL  95   8.353  -0.484  -2.312
  755   2HG1  VAL  95          2HG1      VAL  95   7.191  -1.778  -2.610
  756   3HG1  VAL  95          3HG1      VAL  95   7.896  -0.897  -3.965
  757   1HG2  VAL  95          1HG2      VAL  95  11.215  -2.544  -2.298
  758   2HG2  VAL  95          2HG2      VAL  95  10.104  -1.778  -1.163
  759   3HG2  VAL  95          3HG2      VAL  95  10.729  -0.866  -2.537
  760    H    LYS  96           H        LYS  96  10.075  -4.009  -0.464
  761    HA   LYS  96           HA       LYS  96   8.077  -2.975   1.343
  762   1HB   LYS  96          2HB       LYS  96   8.046  -5.063   2.729
  763   2HB   LYS  96          1HB       LYS  96   7.228  -5.205   1.179
  764   1HG   LYS  96          2HG       LYS  96   9.431  -6.186   0.320
  765   2HG   LYS  96          1HG       LYS  96   9.858  -6.362   2.024
  766   1HD   LYS  96          2HD       LYS  96   7.392  -7.437   2.050
  767   2HD   LYS  96          1HD       LYS  96   7.873  -7.827   0.399
  768   1HE   LYS  96          2HE       LYS  96   9.413  -8.505   2.903
  769   2HE   LYS  96          1HE       LYS  96   8.449  -9.629   1.947
  770   1HZ   LYS  96          1HZ       LYS  96  10.039  -9.805   0.392
  771   2HZ   LYS  96          2HZ       LYS  96  11.070  -9.267   1.621
  772   3HZ   LYS  96          3HZ       LYS  96  10.477  -8.172   0.476
  773    H    ALA  97           H        ALA  97   9.083  -1.890   2.893
  774    HA   ALA  97           HA       ALA  97  11.834  -2.682   3.601
  775   1HB   ALA  97          1HB       ALA  97  11.277  -0.412   2.314
  776   2HB   ALA  97          2HB       ALA  97  12.579  -0.542   3.496
  777   3HB   ALA  97          3HB       ALA  97  11.024   0.142   3.970
  778    H    SER  98           H        SER  98  12.089  -3.268   5.647
  779    HA   SER  98           HA       SER  98   9.961  -2.868   7.555
  780   1HB   SER  98          2HB       SER  98  11.450  -4.972   7.275
  781   2HB   SER  98          1HB       SER  98  12.640  -4.069   8.212
  782    HG   SER  98           HG       SER  98  11.035  -5.489   9.356
  783    H    GLY  99           H        GLY  99  11.117  -2.540   9.952
  784   1HA   GLY  99          2HA       GLY  99  13.122  -0.610  10.203
  785   2HA   GLY  99          1HA       GLY  99  11.590   0.241  10.069
  786    H    TYR 100           H        TYR 100  13.069   0.544  12.328
  787    HA   TYR 100           HA       TYR 100  11.303  -0.635  14.318
  788   1HB   TYR 100          2HB       TYR 100  13.209  -1.295  15.766
  789   2HB   TYR 100          1HB       TYR 100  13.134  -2.226  14.273
  790    HD1  TYR 100           1HD      TYR 100  14.816   0.721  15.803
  791    HD2  TYR 100           2HD      TYR 100  15.011  -2.394  12.915
  792    HE1  TYR 100           1HE      TYR 100  17.149   1.322  15.322
  793    HE2  TYR 100           2HE      TYR 100  17.344  -1.804  12.425
  794    HH   TYR 100           HH       TYR 100  18.938  -0.184  12.698
  795    H    GLN 101           H        GLN 101  12.251   0.245  16.609
  796    HA   GLN 101           HA       GLN 101  12.923   3.084  16.259
  797   1HB   GLN 101          2HB       GLN 101  11.299   3.527  18.188
  798   2HB   GLN 101          1HB       GLN 101  10.603   3.216  16.603
  799   1HG   GLN 101          2HG       GLN 101   9.974   1.019  17.207
  800   2HG   GLN 101          1HG       GLN 101  10.936   1.076  18.684
  801   1HE2  GLN 101          1HE2      GLN 101   9.909   1.543  20.490
  802   2HE2  GLN 101          2HE2      GLN 101   8.363   2.304  20.613
  803    H    SER 102           H        SER 102  14.434   3.820  17.626
  804    HA   SER 102           HA       SER 102  15.364   1.991  19.727
  805   1HB   SER 102          2HB       SER 102  17.489   3.248  19.618
  806   2HB   SER 102          1HB       SER 102  17.045   2.578  18.049
  807    HG   SER 102           HG       SER 102  17.590   4.653  17.638
  808    H    SER 103           H        SER 103  15.887   2.782  21.804
  809    HA   SER 103           HA       SER 103  14.212   5.016  22.626
  810   1HB   SER 103          2HB       SER 103  15.754   2.941  24.197
  811   2HB   SER 103          1HB       SER 103  14.831   4.246  24.943
  812    HG   SER 103           HG       SER 103  13.681   2.440  23.094
  813    H    GLN 104           H        GLN 104  15.337   6.163  24.700
  814    HA   GLN 104           HA       GLN 104  17.556   7.619  23.543
  815   1HB   GLN 104          2HB       GLN 104  16.198   8.043  26.209
  816   2HB   GLN 104          1HB       GLN 104  17.257   9.173  25.378
  817   1HG   GLN 104          2HG       GLN 104  15.650   9.533  23.657
  818   2HG   GLN 104          1HG       GLN 104  14.631   8.227  24.262
  819   1HE2  GLN 104          1HE2      GLN 104  13.147  10.200  24.048
  820   2HE2  GLN 104          2HE2      GLN 104  12.938  11.139  25.483
  821    H    LYS 105           H        LYS 105  16.946   5.490  26.285
  822    HA   LYS 105           HA       LYS 105  19.857   5.361  26.735
  823   1HB   LYS 105          2HB       LYS 105  17.600   5.374  28.727
  824   2HB   LYS 105          1HB       LYS 105  19.182   4.725  29.134
  825   1HG   LYS 105          2HG       LYS 105  19.242   7.393  27.928
  826   2HG   LYS 105          1HG       LYS 105  18.418   7.305  29.485
  827   1HD   LYS 105          2HD       LYS 105  20.333   6.527  30.584
  828   2HD   LYS 105          1HD       LYS 105  21.116   6.056  29.074
  829   1HE   LYS 105          2HE       LYS 105  21.656   8.251  28.527
  830   2HE   LYS 105          1HE       LYS 105  20.439   8.922  29.611
  831   1HZ   LYS 105          1HZ       LYS 105  22.993   8.884  30.220
  832   2HZ   LYS 105          2HZ       LYS 105  22.587   7.355  30.817
  833   3HZ   LYS 105          3HZ       LYS 105  21.792   8.729  31.402
  834    H    LYS 106           H        LYS 106  20.519   3.290  27.842
  835    HA   LYS 106           HA       LYS 106  18.919   0.986  27.788
  836   1HB   LYS 106          2HB       LYS 106  19.380   1.680  25.248
  837   2HB   LYS 106          1HB       LYS 106  20.864   0.787  25.547
  838   1HG   LYS 106          2HG       LYS 106  19.771  -1.086  25.121
  839   2HG   LYS 106          1HG       LYS 106  18.795  -0.806  26.564
  840   1HD   LYS 106          2HD       LYS 106  17.769   0.849  24.503
  841   2HD   LYS 106          1HD       LYS 106  17.998  -0.763  23.825
  842   1HE   LYS 106          2HE       LYS 106  15.858  -0.893  24.690
  843   2HE   LYS 106          1HE       LYS 106  16.833  -1.568  25.994
  844   1HZ   LYS 106          1HZ       LYS 106  16.453   1.294  26.130
  845   2HZ   LYS 106          2HZ       LYS 106  16.336   0.127  27.348
  846   3HZ   LYS 106          3HZ       LYS 106  15.032   0.392  26.305
  847    H    SER 107           H        SER 107  20.429  -1.066  27.684
  848    HA   SER 107           HA       SER 107  22.935  -0.416  29.092
  849   1HB   SER 107          2HB       SER 107  20.757  -2.335  29.814
  850   2HB   SER 107          1HB       SER 107  22.420  -2.743  30.236
  851    HG   SER 107           HG       SER 107  20.804  -0.650  31.159
  852    H    CYS 108           H        CYS 108  24.510  -2.257  29.080
  853    HA   CYS 108           HA       CYS 108  25.859  -3.682  27.932
  854   1HB   CYS 108          2HB       CYS 108  23.533  -4.967  28.078
  855   2HB   CYS 108          1HB       CYS 108  23.580  -4.750  26.332
  856    HG   CYS 108           HG       CYS 108  25.782  -6.153  26.285
  857    H    ALA 109           H        ALA 109  27.105  -2.433  26.650
  858    HA   ALA 109           HA       ALA 109  26.260  -2.137  23.862
  859   1HB   ALA 109          1HB       ALA 109  27.686   0.176  25.054
  860   2HB   ALA 109          2HB       ALA 109  25.971  -0.011  25.420
  861   3HB   ALA 109          3HB       ALA 109  26.505   0.124  23.745
  862    H    GLU 110           H        GLU 110  27.957  -2.046  22.361
  863    HA   GLU 110           HA       GLU 110  30.698  -2.144  23.274
  864   1HB   GLU 110          2HB       GLU 110  29.197  -4.564  22.582
  865   2HB   GLU 110          1HB       GLU 110  30.694  -4.388  21.677
  866   1HG   GLU 110          2HG       GLU 110  30.841  -3.927  24.590
  867   2HG   GLU 110          1HG       GLU 110  30.555  -5.583  24.054
  Start of MODEL   11
    1   1H    MET   1          1HT       MET   1 -31.892  -1.148 -15.408
    2   2H    MET   1          2HT       MET   1 -30.872  -0.645 -14.123
    3   3H    MET   1          3HT       MET   1 -32.193   0.338 -14.607
    4    HA   MET   1           HA       MET   1 -32.464  -1.003 -12.538
    5   1HB   MET   1          2HB       MET   1 -34.816  -1.505 -13.154
    6   2HB   MET   1          1HB       MET   1 -34.302   0.095 -13.671
    7   1HG   MET   1          2HG       MET   1 -34.548  -0.384 -15.845
    8   2HG   MET   1          1HG       MET   1 -33.923  -2.021 -15.664
    9   1HE   MET   1          1HE       MET   1 -35.659  -1.659 -17.625
   10   2HE   MET   1          2HE       MET   1 -37.408  -1.774 -17.434
   11   3HE   MET   1          3HE       MET   1 -36.412  -3.228 -17.341
   12    H    SER   2           H        SER   2 -30.592  -2.620 -14.029
   13    HA   SER   2           HA       SER   2 -31.805  -5.246 -13.536
   14   1HB   SER   2          2HB       SER   2 -30.121  -4.526 -15.947
   15   2HB   SER   2          1HB       SER   2 -30.641  -6.158 -15.526
   16    HG   SER   2           HG       SER   2 -32.841  -5.242 -15.620
   17    H    ARG   3           H        ARG   3 -28.780  -3.482 -14.144
   18    HA   ARG   3           HA       ARG   3 -27.541  -4.857 -11.909
   19   1HB   ARG   3          2HB       ARG   3 -26.891  -5.417 -14.728
   20   2HB   ARG   3          1HB       ARG   3 -25.501  -5.091 -13.702
   21   1HG   ARG   3          2HG       ARG   3 -26.059  -6.891 -12.244
   22   2HG   ARG   3          1HG       ARG   3 -27.612  -7.130 -13.047
   23   1HD   ARG   3          2HD       ARG   3 -25.154  -7.293 -14.705
   24   2HD   ARG   3          1HD       ARG   3 -25.482  -8.623 -13.595
   25    HE   ARG   3           HE       ARG   3 -26.903  -7.989 -16.011
   26   1HH1  ARG   3          1HH1      ARG   3 -27.105  -9.569 -12.907
   27   2HH1  ARG   3          2HH1      ARG   3 -28.374 -10.640 -13.394
   28   1HH2  ARG   3          1HH2      ARG   3 -28.573  -9.397 -16.655
   29   2HH2  ARG   3          2HH2      ARG   3 -29.207 -10.543 -15.523
   30    H    SER   4           H        SER   4 -26.619  -3.319 -10.743
   31    HA   SER   4           HA       SER   4 -25.177  -1.163 -12.119
   32   1HB   SER   4          2HB       SER   4 -27.476  -0.416 -11.347
   33   2HB   SER   4          1HB       SER   4 -26.914  -0.672  -9.694
   34    HG   SER   4           HG       SER   4 -26.536   1.451 -10.183
   35    H    ASN   5           H        ASN   5 -23.129  -1.607 -11.578
   36    HA   ASN   5           HA       ASN   5 -22.467  -2.612  -8.940
   37   1HB   ASN   5          2HB       ASN   5 -20.913  -2.141 -11.468
   38   2HB   ASN   5          1HB       ASN   5 -20.078  -2.439  -9.946
   39   1HD2  ASN   5          1HD2      ASN   5 -19.309  -4.430 -10.133
   40   2HD2  ASN   5          2HD2      ASN   5 -20.238  -5.829 -10.535
   41    H    ARG   6           H        ARG   6 -20.777  -1.610  -7.633
   42    HA   ARG   6           HA       ARG   6 -20.184   1.179  -8.063
   43   1HB   ARG   6          2HB       ARG   6 -22.489   0.516  -6.593
   44   2HB   ARG   6          1HB       ARG   6 -21.285   0.986  -5.401
   45   1HG   ARG   6          2HG       ARG   6 -21.015   2.939  -7.294
   46   2HG   ARG   6          1HG       ARG   6 -22.747   2.608  -7.337
   47   1HD   ARG   6          2HD       ARG   6 -21.456   2.886  -4.678
   48   2HD   ARG   6          1HD       ARG   6 -21.675   4.348  -5.639
   49    HE   ARG   6           HE       ARG   6 -24.113   3.176  -5.724
   50   1HH1  ARG   6          1HH1      ARG   6 -21.965   4.040  -3.113
   51   2HH1  ARG   6          2HH1      ARG   6 -23.247   4.317  -1.983
   52   1HH2  ARG   6          1HH2      ARG   6 -25.801   3.540  -4.239
   53   2HH2  ARG   6          2HH2      ARG   6 -25.425   4.033  -2.621
   54    H    GLN   7           H        GLN   7 -20.358  -1.109  -5.327
   55    HA   GLN   7           HA       GLN   7 -17.695  -0.322  -4.485
   56   1HB   GLN   7          2HB       GLN   7 -19.997  -1.339  -3.194
   57   2HB   GLN   7          1HB       GLN   7 -18.734  -2.546  -2.993
   58   1HG   GLN   7          2HG       GLN   7 -18.653  -1.082  -1.127
   59   2HG   GLN   7          1HG       GLN   7 -17.245  -0.746  -2.136
   60   1HE2  GLN   7          1HE2      GLN   7 -16.955   1.254  -2.925
   61   2HE2  GLN   7          2HE2      GLN   7 -18.047   2.571  -2.691
   62    H    LYS   8           H        LYS   8 -15.887  -1.371  -4.988
   63    HA   LYS   8           HA       LYS   8 -16.124  -4.036  -6.215
   64   1HB   LYS   8          2HB       LYS   8 -15.182  -2.062  -7.556
   65   2HB   LYS   8          1HB       LYS   8 -13.769  -2.184  -6.516
   66   1HG   LYS   8          2HG       LYS   8 -14.018  -4.753  -7.310
   67   2HG   LYS   8          1HG       LYS   8 -14.651  -3.909  -8.724
   68   1HD   LYS   8          2HD       LYS   8 -12.401  -2.455  -8.075
   69   2HD   LYS   8          1HD       LYS   8 -11.917  -4.116  -7.733
   70   1HE   LYS   8          2HE       LYS   8 -13.280  -4.242 -10.164
   71   2HE   LYS   8          1HE       LYS   8 -12.288  -2.788 -10.271
   72   1HZ   LYS   8          1HZ       LYS   8 -11.015  -4.613 -11.066
   73   2HZ   LYS   8          2HZ       LYS   8 -11.362  -5.547  -9.699
   74   3HZ   LYS   8          3HZ       LYS   8 -10.376  -4.180  -9.559
   75    H    GLU   9           H        GLU   9 -14.655  -5.662  -5.651
   76    HA   GLU   9           HA       GLU   9 -13.539  -5.359  -2.967
   77   1HB   GLU   9          2HB       GLU   9 -13.947  -7.831  -4.662
   78   2HB   GLU   9          1HB       GLU   9 -13.342  -7.823  -3.011
   79   1HG   GLU   9          2HG       GLU   9 -15.449  -6.921  -2.217
   80   2HG   GLU   9          1HG       GLU   9 -16.058  -6.852  -3.870
   81    H    TYR  10           H        TYR  10 -11.392  -5.634  -2.484
   82    HA   TYR  10           HA       TYR  10  -9.565  -5.837  -4.794
   83   1HB   TYR  10          2HB       TYR  10  -9.101  -4.385  -2.176
   84   2HB   TYR  10          1HB       TYR  10  -7.994  -4.440  -3.546
   85    HD1  TYR  10           1HD      TYR  10 -11.137  -3.043  -2.270
   86    HD2  TYR  10           2HD      TYR  10  -8.401  -3.113  -5.527
   87    HE1  TYR  10           1HE      TYR  10 -12.224  -1.051  -3.217
   88    HE2  TYR  10           2HE      TYR  10  -9.479  -1.119  -6.482
   89    HH   TYR  10           HH       TYR  10 -10.854   0.731  -5.812
   90    H    LYS  11           H        LYS  11  -7.458  -6.824  -4.351
   91    HA   LYS  11           HA       LYS  11  -7.458  -8.652  -2.061
   92   1HB   LYS  11          2HB       LYS  11  -7.240  -9.366  -4.963
   93   2HB   LYS  11          1HB       LYS  11  -6.435 -10.354  -3.753
   94   1HG   LYS  11          2HG       LYS  11  -9.384  -9.761  -3.887
   95   2HG   LYS  11          1HG       LYS  11  -8.598 -11.281  -4.318
   96   1HD   LYS  11          2HD       LYS  11  -7.706 -10.726  -1.737
   97   2HD   LYS  11          1HD       LYS  11  -9.417 -10.295  -1.723
   98   1HE   LYS  11          2HE       LYS  11  -8.409 -12.908  -2.820
   99   2HE   LYS  11          1HE       LYS  11  -8.840 -12.692  -1.123
  100   1HZ   LYS  11          1HZ       LYS  11 -10.794 -13.458  -2.004
  101   2HZ   LYS  11          2HZ       LYS  11 -10.574 -12.686  -3.493
  102   3HZ   LYS  11          3HZ       LYS  11 -11.039 -11.789  -2.137
  103    H    CYS  12           H        CYS  12  -5.333  -9.579  -1.599
  104    HA   CYS  12           HA       CYS  12  -3.332  -7.701  -1.360
  105   1HB   CYS  12          2HB       CYS  12  -3.679 -10.203  -0.420
  106   2HB   CYS  12          1HB       CYS  12  -2.437 -10.516  -1.628
  107    HG   CYS  12           HG       CYS  12  -1.991  -9.215   1.049
  108    H    GLY  13           H        GLY  13  -1.856  -6.844  -2.714
  109   1HA   GLY  13          2HA       GLY  13  -0.171  -7.010  -4.392
  110   2HA   GLY  13          1HA       GLY  13  -1.046  -8.363  -5.088
  111    H    ASP  14           H        ASP  14  -3.524  -6.485  -4.580
  112    HA   ASP  14           HA       ASP  14  -3.691  -5.575  -7.269
  113   1HB   ASP  14          2HB       ASP  14  -5.427  -5.332  -4.837
  114   2HB   ASP  14          1HB       ASP  14  -5.783  -4.361  -6.262
  115    H    LEU  15           H        LEU  15  -3.400  -3.576  -8.133
  116    HA   LEU  15           HA       LEU  15  -2.056  -1.611  -6.459
  117   1HB   LEU  15          2HB       LEU  15  -2.548  -1.650  -9.439
  118   2HB   LEU  15          1HB       LEU  15  -1.588  -0.455  -8.588
  119    HG   LEU  15           HG       LEU  15  -0.956  -3.384  -8.923
  120   1HD1  LEU  15          1HD1      LEU  15   0.683  -2.758 -10.392
  121   2HD1  LEU  15          2HD1      LEU  15   0.836  -1.141  -9.705
  122   3HD1  LEU  15          3HD1      LEU  15  -0.538  -1.534 -10.738
  123   1HD2  LEU  15          1HD2      LEU  15   0.562  -1.296  -7.364
  124   2HD2  LEU  15          2HD2      LEU  15   1.067  -2.961  -7.645
  125   3HD2  LEU  15          3HD2      LEU  15  -0.361  -2.626  -6.665
  126    H    VAL  16           H        VAL  16  -3.200  -0.128  -5.455
  127    HA   VAL  16           HA       VAL  16  -5.458   1.119  -6.847
  128    HB   VAL  16           HB       VAL  16  -6.773   1.127  -4.745
  129   1HG1  VAL  16          1HG1      VAL  16  -6.100  -1.316  -6.271
  130   2HG1  VAL  16          2HG1      VAL  16  -7.642  -0.483  -6.082
  131   3HG1  VAL  16          3HG1      VAL  16  -7.042  -1.530  -4.795
  132   1HG2  VAL  16          1HG2      VAL  16  -4.590  -0.724  -3.797
  133   2HG2  VAL  16          2HG2      VAL  16  -6.143  -0.519  -2.988
  134   3HG2  VAL  16          3HG2      VAL  16  -5.030   0.843  -3.118
  135    H    PHE  17           H        PHE  17  -6.246   3.066  -5.587
  136    HA   PHE  17           HA       PHE  17  -3.914   4.556  -4.564
  137   1HB   PHE  17          2HB       PHE  17  -6.242   5.337  -6.265
  138   2HB   PHE  17          1HB       PHE  17  -5.573   6.545  -5.171
  139    HD1  PHE  17           1HD      PHE  17  -5.500   5.535  -8.414
  140    HD2  PHE  17           2HD      PHE  17  -2.829   6.397  -5.224
  141    HE1  PHE  17           1HE      PHE  17  -3.723   6.015 -10.040
  142    HE2  PHE  17           2HE      PHE  17  -1.043   6.877  -6.839
  143    HZ   PHE  17           HZ       PHE  17  -1.486   6.690  -9.257
  144    H    ALA  18           H        ALA  18  -4.042   5.508  -2.565
  145    HA   ALA  18           HA       ALA  18  -6.532   5.058  -1.065
  146   1HB   ALA  18          1HB       ALA  18  -3.666   4.804  -0.353
  147   2HB   ALA  18          2HB       ALA  18  -5.053   3.831   0.144
  148   3HB   ALA  18          3HB       ALA  18  -4.760   5.398   0.899
  149    H    LYS  19           H        LYS  19  -7.658   6.792  -0.529
  150    HA   LYS  19           HA       LYS  19  -6.411   9.420  -0.673
  151   1HB   LYS  19          2HB       LYS  19  -8.517   9.100  -1.872
  152   2HB   LYS  19          1HB       LYS  19  -9.309   8.616  -0.378
  153   1HG   LYS  19          2HG       LYS  19  -9.837  10.724   0.019
  154   2HG   LYS  19          1HG       LYS  19  -8.123  11.143   0.077
  155   1HD   LYS  19          2HD       LYS  19  -8.234  11.254  -2.467
  156   2HD   LYS  19          1HD       LYS  19  -9.988  11.218  -2.280
  157   1HE   LYS  19          2HE       LYS  19  -9.403  13.161  -0.534
  158   2HE   LYS  19          1HE       LYS  19  -8.047  13.358  -1.644
  159   1HZ   LYS  19          1HZ       LYS  19 -10.909  13.346  -2.437
  160   2HZ   LYS  19          2HZ       LYS  19  -9.591  13.609  -3.463
  161   3HZ   LYS  19          3HZ       LYS  19  -9.957  14.732  -2.254
  162    H    MET  20           H        MET  20  -5.909  10.601   1.039
  163    HA   MET  20           HA       MET  20  -7.018   9.835   3.659
  164   1HB   MET  20          2HB       MET  20  -4.168  10.517   2.945
  165   2HB   MET  20          1HB       MET  20  -4.766  10.584   4.597
  166   1HG   MET  20          2HG       MET  20  -4.797   8.350   4.823
  167   2HG   MET  20          1HG       MET  20  -5.312   8.080   3.159
  168   1HE   MET  20          1HE       MET  20  -2.865   6.731   5.237
  169   2HE   MET  20          2HE       MET  20  -2.426   8.387   5.658
  170   3HE   MET  20          3HE       MET  20  -1.267   7.352   4.825
  171    H    LYS  21           H        LYS  21  -7.379  11.519   5.136
  172    HA   LYS  21           HA       LYS  21  -8.235  13.952   4.054
  173   1HB   LYS  21          2HB       LYS  21  -8.139  12.705   6.653
  174   2HB   LYS  21          1HB       LYS  21  -7.717  14.407   6.785
  175   1HG   LYS  21          2HG       LYS  21  -9.833  14.781   5.330
  176   2HG   LYS  21          1HG       LYS  21 -10.268  13.156   5.866
  177   1HD   LYS  21          2HD       LYS  21 -10.101  13.855   8.189
  178   2HD   LYS  21          1HD       LYS  21  -9.584  15.466   7.685
  179   1HE   LYS  21          2HE       LYS  21 -11.795  15.557   6.390
  180   2HE   LYS  21          1HE       LYS  21 -12.273  14.170   7.367
  181   1HZ   LYS  21          1HZ       LYS  21 -12.721  16.658   8.111
  182   2HZ   LYS  21          2HZ       LYS  21 -11.184  16.469   8.790
  183   3HZ   LYS  21          3HZ       LYS  21 -12.435  15.419   9.227
  184    H    GLY  22           H        GLY  22  -7.100  15.625   3.339
  185   1HA   GLY  22          2HA       GLY  22  -5.569  17.410   3.630
  186   2HA   GLY  22          1HA       GLY  22  -4.665  16.416   4.763
  187    H    TYR  23           H        TYR  23  -4.566  14.085   3.057
  188    HA   TYR  23           HA       TYR  23  -2.537  15.043   1.151
  189   1HB   TYR  23          2HB       TYR  23  -2.816  12.169   1.971
  190   2HB   TYR  23          1HB       TYR  23  -1.382  13.037   1.435
  191    HD1  TYR  23           1HD      TYR  23  -0.354  14.745   3.017
  192    HD2  TYR  23           2HD      TYR  23  -3.292  11.929   4.257
  193    HE1  TYR  23           1HE      TYR  23   0.311  15.091   5.357
  194    HE2  TYR  23           2HE      TYR  23  -2.635  12.267   6.603
  195    HH   TYR  23           HH       TYR  23   0.201  13.992   7.487
  196    HA   PRO  24           HA       PRO  24  -5.057  13.588  -2.181
  197   1HB   PRO  24          2HB       PRO  24  -3.256  13.511  -4.162
  198   2HB   PRO  24          1HB       PRO  24  -3.756  15.039  -3.427
  199   1HG   PRO  24          2HG       PRO  24  -1.266  13.454  -2.993
  200   2HG   PRO  24          1HG       PRO  24  -1.481  15.210  -3.076
  201   1HD   PRO  24          2HD       PRO  24  -1.261  13.732  -0.737
  202   2HD   PRO  24          1HD       PRO  24  -1.954  15.360  -0.857
  203    H    HIS  25           H        HIS  25  -5.170  11.862  -3.879
  204    HA   HIS  25           HA       HIS  25  -4.969   9.314  -2.827
  205   1HB   HIS  25          2HB       HIS  25  -4.848  10.074  -5.758
  206   2HB   HIS  25          1HB       HIS  25  -5.294   8.497  -5.114
  207    HD1  HIS  25           1HD      HIS  25  -6.557  12.051  -5.287
  208    HD2  HIS  25           2HD      HIS  25  -7.933   8.234  -4.391
  209    HE1  HIS  25           1HE      HIS  25  -9.051  12.272  -5.061
  210    HE2  HIS  25           2HE      HIS  25  -9.852   9.968  -4.429
  211    H    TRP  26           H        TRP  26  -3.155   8.301  -2.168
  212    HA   TRP  26           HA       TRP  26  -0.635   8.781  -3.592
  213   1HB   TRP  26          2HB       TRP  26  -1.060   8.892  -0.976
  214   2HB   TRP  26          1HB       TRP  26  -0.777   7.161  -1.092
  215    HD1  TRP  26           HD       TRP  26   1.705   6.402  -1.992
  216    HE1  TRP  26           1HE      TRP  26   3.980   7.596  -1.757
  217    HE3  TRP  26           3HE      TRP  26   0.048  11.115  -0.917
  218    HZ2  TRP  26           2HZ      TRP  26   4.929  10.203  -1.192
  219    HZ3  TRP  26           3HZ      TRP  26   1.684  12.892  -0.547
  220    HH2  TRP  26           HH       TRP  26   4.063  12.449  -0.680
  221    HA   PRO  27           HA       PRO  27  -0.958   4.860  -5.706
  222   1HB   PRO  27          2HB       PRO  27   1.788   4.461  -5.962
  223   2HB   PRO  27          1HB       PRO  27   0.776   5.356  -7.098
  224   1HG   PRO  27          2HG       PRO  27   2.530   6.374  -4.909
  225   2HG   PRO  27          1HG       PRO  27   2.233   7.054  -6.519
  226   1HD   PRO  27          2HD       PRO  27   1.090   8.095  -4.329
  227   2HD   PRO  27          1HD       PRO  27   0.221   8.019  -5.876
  228    H    ALA  28           H        ALA  28  -1.424   3.051  -4.642
  229    HA   ALA  28           HA       ALA  28   0.532   1.969  -2.761
  230   1HB   ALA  28          1HB       ALA  28  -1.915   3.242  -1.997
  231   2HB   ALA  28          2HB       ALA  28  -0.626   2.597  -0.982
  232   3HB   ALA  28          3HB       ALA  28  -1.938   1.545  -1.513
  233    H    ARG  29           H        ARG  29  -0.433  -0.181  -1.828
  234    HA   ARG  29           HA       ARG  29  -1.920  -1.677  -3.846
  235   1HB   ARG  29          2HB       ARG  29   0.485  -1.924  -4.410
  236   2HB   ARG  29          1HB       ARG  29   0.775  -2.571  -2.802
  237   1HG   ARG  29          2HG       ARG  29  -0.776  -4.430  -3.318
  238   2HG   ARG  29          1HG       ARG  29  -0.921  -3.803  -4.961
  239   1HD   ARG  29          2HD       ARG  29   0.740  -5.315  -5.303
  240   2HD   ARG  29          1HD       ARG  29   1.722  -3.925  -4.840
  241    HE   ARG  29           HE       ARG  29   1.362  -5.074  -2.479
  242   1HH1  ARG  29          1HH1      ARG  29   2.195  -6.509  -5.554
  243   2HH1  ARG  29          2HH1      ARG  29   3.081  -7.814  -4.842
  244   1HH2  ARG  29          1HH2      ARG  29   2.534  -6.788  -1.548
  245   2HH2  ARG  29          2HH2      ARG  29   3.277  -7.972  -2.571
  246    H    ILE  30           H        ILE  30  -2.702  -3.760  -3.026
  247    HA   ILE  30           HA       ILE  30  -3.386  -3.585  -0.211
  248    HB   ILE  30           HB       ILE  30  -4.118  -5.785  -2.146
  249   1HG1  ILE  30          2HG1      ILE  30  -4.812  -3.578  -3.022
  250   2HG1  ILE  30          1HG1      ILE  30  -6.192  -4.575  -2.571
  251   1HG2  ILE  30          1HG2      ILE  30  -6.175  -5.568  -0.414
  252   2HG2  ILE  30          2HG2      ILE  30  -4.830  -5.101   0.625
  253   3HG2  ILE  30          3HG2      ILE  30  -4.812  -6.663  -0.192
  254   1HD1  ILE  30          1HD1      ILE  30  -6.499  -2.264  -1.891
  255   2HD1  ILE  30          2HD1      ILE  30  -5.024  -2.341  -0.929
  256   3HD1  ILE  30          3HD1      ILE  30  -6.416  -3.331  -0.489
  257    H    ASP  31           H        ASP  31  -2.057  -4.411   1.296
  258    HA   ASP  31           HA       ASP  31  -0.354  -6.680   0.544
  259   1HB   ASP  31          2HB       ASP  31   0.710  -4.476   1.245
  260   2HB   ASP  31          1HB       ASP  31   0.125  -4.826   2.869
  261    H    GLU  32           H        GLU  32  -3.002  -5.842   2.542
  262    HA   GLU  32           HA       GLU  32  -3.049  -8.481   3.644
  263   1HB   GLU  32          2HB       GLU  32  -1.893  -6.314   5.196
  264   2HB   GLU  32          1HB       GLU  32  -3.265  -7.047   6.015
  265   1HG   GLU  32          2HG       GLU  32  -2.214  -9.046   6.290
  266   2HG   GLU  32          1HG       GLU  32  -1.223  -8.851   4.846
  267    H    MET  33           H        MET  33  -4.981  -8.945   4.821
  268    HA   MET  33           HA       MET  33  -7.059  -6.929   4.907
  269   1HB   MET  33          2HB       MET  33  -8.626  -8.403   3.578
  270   2HB   MET  33          1HB       MET  33  -7.374  -7.587   2.652
  271   1HG   MET  33          2HG       MET  33  -6.063  -9.620   2.578
  272   2HG   MET  33          1HG       MET  33  -7.254 -10.448   3.579
  273   1HE   MET  33          1HE       MET  33  -8.662  -8.712  -0.433
  274   2HE   MET  33          2HE       MET  33  -7.086  -8.278   0.229
  275   3HE   MET  33          3HE       MET  33  -8.557  -7.852   1.103
  276    HA   PRO  34           HA       PRO  34  -8.428  -9.446   8.264
  277   1HB   PRO  34          2HB       PRO  34 -11.007  -8.743   8.481
  278   2HB   PRO  34          1HB       PRO  34  -9.706  -7.593   8.806
  279   1HG   PRO  34          2HG       PRO  34 -11.391  -7.897   6.354
  280   2HG   PRO  34          1HG       PRO  34 -10.885  -6.416   7.186
  281   1HD   PRO  34          2HD       PRO  34  -9.659  -7.402   4.941
  282   2HD   PRO  34          1HD       PRO  34  -8.845  -6.386   6.147
  283    H    GLU  35           H        GLU  35  -9.774 -11.231   8.893
  284    HA   GLU  35           HA       GLU  35 -11.338 -12.485   6.789
  285   1HB   GLU  35          2HB       GLU  35 -10.244 -14.676   7.175
  286   2HB   GLU  35          1HB       GLU  35  -9.177 -13.479   6.457
  287   1HG   GLU  35          2HG       GLU  35  -7.759 -14.246   8.019
  288   2HG   GLU  35          1HG       GLU  35  -8.598 -13.073   9.031
  289    H    ALA  36           H        ALA  36 -10.172 -12.816  10.093
  290    HA   ALA  36           HA       ALA  36 -12.763 -12.893  11.225
  291   1HB   ALA  36          1HB       ALA  36 -12.755 -15.213  12.043
  292   2HB   ALA  36          2HB       ALA  36 -11.313 -15.537  11.081
  293   3HB   ALA  36          3HB       ALA  36 -12.833 -15.134  10.284
  294    H    ALA  37           H        ALA  37  -9.399 -13.816  11.499
  295    HA   ALA  37           HA       ALA  37  -9.029 -12.251  13.871
  296   1HB   ALA  37          1HB       ALA  37  -8.261 -15.111  14.220
  297   2HB   ALA  37          2HB       ALA  37  -9.932 -14.635  14.525
  298   3HB   ALA  37          3HB       ALA  37  -8.620 -13.886  15.438
  299    H    VAL  38           H        VAL  38  -7.420 -11.160  12.809
  300    HA   VAL  38           HA       VAL  38  -4.961 -12.660  12.326
  301    HB   VAL  38           HB       VAL  38  -4.671 -11.318  10.155
  302   1HG1  VAL  38          1HG1      VAL  38  -4.865 -13.635   9.944
  303   2HG1  VAL  38          2HG1      VAL  38  -6.147 -13.013   8.905
  304   3HG1  VAL  38          3HG1      VAL  38  -6.537 -13.641  10.506
  305   1HG2  VAL  38          1HG2      VAL  38  -7.429 -11.322   9.444
  306   2HG2  VAL  38          2HG2      VAL  38  -6.309  -9.959   9.504
  307   3HG2  VAL  38          3HG2      VAL  38  -7.246 -10.392  10.934
  308    H    LYS  39           H        LYS  39  -6.549  -9.497  12.568
  309    HA   LYS  39           HA       LYS  39  -4.380  -8.470  14.124
  310   1HB   LYS  39          2HB       LYS  39  -3.921  -6.550  12.536
  311   2HB   LYS  39          1HB       LYS  39  -3.277  -8.116  12.058
  312   1HG   LYS  39          2HG       LYS  39  -5.499  -8.320  10.721
  313   2HG   LYS  39          1HG       LYS  39  -5.539  -6.564  10.889
  314   1HD   LYS  39          2HD       LYS  39  -3.829  -6.261   9.450
  315   2HD   LYS  39          1HD       LYS  39  -2.955  -7.678  10.035
  316   1HE   LYS  39          2HE       LYS  39  -5.400  -8.401   8.654
  317   2HE   LYS  39          1HE       LYS  39  -4.328  -7.444   7.634
  318   1HZ   LYS  39          1HZ       LYS  39  -3.771  -9.716   7.343
  319   2HZ   LYS  39          2HZ       LYS  39  -3.694  -9.994   9.010
  320   3HZ   LYS  39          3HZ       LYS  39  -2.528  -9.025   8.261
  321    H    SER  40           H        SER  40  -4.735  -5.890  14.236
  322    HA   SER  40           HA       SER  40  -7.311  -5.563  15.399
  323   1HB   SER  40          2HB       SER  40  -4.997  -4.366  15.899
  324   2HB   SER  40          1HB       SER  40  -5.610  -3.197  14.731
  325    HG   SER  40           HG       SER  40  -7.130  -4.076  16.948
  326    H    THR  41           H        THR  41  -8.328  -6.270  13.275
  327    HA   THR  41           HA       THR  41  -9.019  -3.871  11.706
  328    HB   THR  41           HB       THR  41  -7.673  -5.125  10.234
  329    HG1  THR  41           1HG      THR  41  -9.076  -5.532   8.646
  330   1HG2  THR  41          1HG2      THR  41  -7.588  -7.215  11.533
  331   2HG2  THR  41          2HG2      THR  41  -7.849  -7.476   9.809
  332   3HG2  THR  41          3HG2      THR  41  -9.199  -7.617  10.937
  333    H    ALA  42           H        ALA  42 -11.048  -4.551  10.283
  334    HA   ALA  42           HA       ALA  42 -12.945  -6.318  11.401
  335   1HB   ALA  42          1HB       ALA  42 -13.303  -3.403  12.093
  336   2HB   ALA  42          2HB       ALA  42 -13.022  -4.723  13.227
  337   3HB   ALA  42          3HB       ALA  42 -14.526  -4.656  12.308
  338    H    ASN  43           H        ASN  43 -12.418  -3.294   9.685
  339    HA   ASN  43           HA       ASN  43 -13.754  -4.306   7.353
  340   1HB   ASN  43          2HB       ASN  43 -15.610  -3.340   8.745
  341   2HB   ASN  43          1HB       ASN  43 -14.808  -1.777   8.626
  342   1HD2  ASN  43          1HD2      ASN  43 -15.892  -0.549   7.276
  343   2HD2  ASN  43          2HD2      ASN  43 -16.519  -1.031   5.739
  344    H    LYS  44           H        LYS  44 -11.090  -3.505   8.065
  345    HA   LYS  44           HA       LYS  44 -10.749  -1.379   6.069
  346   1HB   LYS  44          2HB       LYS  44  -8.964  -1.409   8.463
  347   2HB   LYS  44          1HB       LYS  44  -9.402  -0.069   7.411
  348   1HG   LYS  44          2HG       LYS  44 -11.372   0.339   8.515
  349   2HG   LYS  44          1HG       LYS  44 -11.515  -1.320   9.104
  350   1HD   LYS  44          2HD       LYS  44 -10.193  -0.931  10.914
  351   2HD   LYS  44          1HD       LYS  44  -9.189   0.247  10.064
  352   1HE   LYS  44          2HE       LYS  44 -11.241   1.774  10.142
  353   2HE   LYS  44          1HE       LYS  44 -11.881   0.645  11.336
  354   1HZ   LYS  44          1HZ       LYS  44 -10.746   2.491  12.393
  355   2HZ   LYS  44          2HZ       LYS  44  -9.319   2.133  11.559
  356   3HZ   LYS  44          3HZ       LYS  44  -9.926   1.044  12.703
  357    H    TYR  45           H        TYR  45  -9.062  -1.611   4.717
  358    HA   TYR  45           HA       TYR  45  -7.565  -4.128   4.865
  359   1HB   TYR  45          2HB       TYR  45  -7.852  -2.121   2.614
  360   2HB   TYR  45          1HB       TYR  45  -6.973  -3.643   2.513
  361    HD1  TYR  45           1HD      TYR  45 -10.310  -2.116   2.801
  362    HD2  TYR  45           2HD      TYR  45  -8.130  -5.728   2.250
  363    HE1  TYR  45           1HE      TYR  45 -12.386  -3.263   2.151
  364    HE2  TYR  45           2HE      TYR  45 -10.201  -6.883   1.596
  365    HH   TYR  45           HH       TYR  45 -13.282  -5.548   2.077
  366    H    GLN  46           H        GLN  46  -5.278  -4.164   4.473
  367    HA   GLN  46           HA       GLN  46  -3.931  -1.785   5.541
  368   1HB   GLN  46          2HB       GLN  46  -3.636  -4.115   6.574
  369   2HB   GLN  46          1HB       GLN  46  -2.697  -4.507   5.141
  370   1HG   GLN  46          2HG       GLN  46  -1.703  -2.065   6.144
  371   2HG   GLN  46          1HG       GLN  46  -1.879  -3.163   7.512
  372   1HE2  GLN  46          1HE2      GLN  46   0.487  -2.935   7.526
  373   2HE2  GLN  46          2HE2      GLN  46   1.419  -3.998   6.533
  374    H    VAL  47           H        VAL  47  -3.412  -0.445   3.929
  375    HA   VAL  47           HA       VAL  47  -2.419  -1.561   1.414
  376    HB   VAL  47           HB       VAL  47  -2.845   0.558   0.399
  377   1HG1  VAL  47          1HG1      VAL  47  -5.296   0.922   1.156
  378   2HG1  VAL  47          2HG1      VAL  47  -5.005  -0.482   2.185
  379   3HG1  VAL  47          3HG1      VAL  47  -4.834  -0.620   0.435
  380   1HG2  VAL  47          1HG2      VAL  47  -4.019   2.260   2.161
  381   2HG2  VAL  47          2HG2      VAL  47  -2.326   2.341   1.670
  382   3HG2  VAL  47          3HG2      VAL  47  -2.771   1.529   3.171
  383    H    PHE  48           H        PHE  48  -0.542  -0.871   0.440
  384    HA   PHE  48           HA       PHE  48   1.497   0.172   2.290
  385   1HB   PHE  48          2HB       PHE  48   1.858  -2.094   1.286
  386   2HB   PHE  48          1HB       PHE  48   1.900  -1.338  -0.303
  387    HD1  PHE  48           1HD      PHE  48   4.036  -1.352  -1.130
  388    HD2  PHE  48           2HD      PHE  48   3.429  -0.461   2.986
  389    HE1  PHE  48           1HE      PHE  48   6.446  -0.930  -0.869
  390    HE2  PHE  48           2HE      PHE  48   5.837  -0.038   3.255
  391    HZ   PHE  48           HZ       PHE  48   7.349  -0.271   1.325
  392    H    PHE  49           H        PHE  49   2.233   2.165   1.960
  393    HA   PHE  49           HA       PHE  49   1.527   3.580  -0.492
  394   1HB   PHE  49          2HB       PHE  49   2.667   4.539   2.141
  395   2HB   PHE  49          1HB       PHE  49   2.353   5.589   0.764
  396    HD1  PHE  49           1HD      PHE  49  -0.046   5.672  -0.128
  397    HD2  PHE  49           2HD      PHE  49   0.987   4.067   3.672
  398    HE1  PHE  49           1HE      PHE  49  -2.373   5.941   0.613
  399    HE2  PHE  49           2HE      PHE  49  -1.337   4.333   4.417
  400    HZ   PHE  49           HZ       PHE  49  -3.023   5.268   2.889
  401    H    PHE  50           H        PHE  50   2.961   3.354  -2.119
  402    HA   PHE  50           HA       PHE  50   5.643   2.586  -1.818
  403   1HB   PHE  50          2HB       PHE  50   4.137   3.856  -4.102
  404   2HB   PHE  50          1HB       PHE  50   5.847   3.449  -4.224
  405    HD1  PHE  50           1HD      PHE  50   6.341   0.949  -3.304
  406    HD2  PHE  50           2HD      PHE  50   2.690   2.331  -5.001
  407    HE1  PHE  50           1HE      PHE  50   5.752  -1.362  -3.911
  408    HE2  PHE  50           2HE      PHE  50   2.095   0.021  -5.608
  409    HZ   PHE  50           HZ       PHE  50   3.627  -1.827  -5.063
  410    H    GLY  51           H        GLY  51   7.436   4.028  -2.932
  411   1HA   GLY  51          2HA       GLY  51   8.744   5.924  -2.851
  412   2HA   GLY  51          1HA       GLY  51   7.289   6.843  -2.489
  413    H    THR  52           H        THR  52   6.412   6.252  -0.179
  414    HA   THR  52           HA       THR  52   8.605   6.805   1.661
  415    HB   THR  52           HB       THR  52   6.828   7.373   3.262
  416    HG1  THR  52           1HG      THR  52   5.026   6.752   1.165
  417   1HG2  THR  52          1HG2      THR  52   6.519   8.613   0.546
  418   2HG2  THR  52          2HG2      THR  52   7.466   9.206   1.910
  419   3HG2  THR  52          3HG2      THR  52   5.704   9.209   1.991
  420    H    HIS  53           H        HIS  53   6.480   4.258   0.742
  421    HA   HIS  53           HA       HIS  53   6.271   2.095   1.412
  422   1HB   HIS  53          2HB       HIS  53   8.808   2.698   2.949
  423   2HB   HIS  53          1HB       HIS  53   8.129   1.090   2.714
  424    HD1  HIS  53           1HD      HIS  53  10.746   3.003   1.462
  425    HD2  HIS  53           2HD      HIS  53   7.738   0.799  -0.371
  426    HE1  HIS  53           1HE      HIS  53  11.588   2.515  -0.857
  427    HE2  HIS  53           2HE      HIS  53   9.719   1.244  -1.972
  428    H    GLU  54           H        GLU  54   4.878   4.133   2.791
  429    HA   GLU  54           HA       GLU  54   4.933   3.375   5.609
  430   1HB   GLU  54          2HB       GLU  54   3.122   5.355   4.215
  431   2HB   GLU  54          1HB       GLU  54   3.364   5.188   5.949
  432   1HG   GLU  54          2HG       GLU  54   5.532   6.073   5.845
  433   2HG   GLU  54          1HG       GLU  54   5.622   5.871   4.095
  434    H    THR  55           H        THR  55   3.007   2.634   6.724
  435    HA   THR  55           HA       THR  55   1.117   1.270   4.928
  436    HB   THR  55           HB       THR  55   1.105  -0.272   7.205
  437    HG1  THR  55           1HG      THR  55   3.805   0.374   6.645
  438   1HG2  THR  55          1HG2      THR  55   1.228  -1.682   5.491
  439   2HG2  THR  55          2HG2      THR  55   2.976  -1.556   5.690
  440   3HG2  THR  55          3HG2      THR  55   2.148  -0.547   4.503
  441    H    ALA  56           H        ALA  56  -0.985   1.156   5.486
  442    HA   ALA  56           HA       ALA  56  -1.908   2.225   8.018
  443   1HB   ALA  56          1HB       ALA  56  -2.956   3.606   5.588
  444   2HB   ALA  56          2HB       ALA  56  -1.450   4.141   6.332
  445   3HB   ALA  56          3HB       ALA  56  -2.947   4.144   7.268
  446    H    PHE  57           H        PHE  57  -4.340   2.176   8.149
  447    HA   PHE  57           HA       PHE  57  -5.326  -0.116   6.604
  448   1HB   PHE  57          2HB       PHE  57  -5.931   0.840   9.389
  449   2HB   PHE  57          1HB       PHE  57  -7.013  -0.264   8.544
  450    HD1  PHE  57           1HD      PHE  57  -6.664  -2.538   8.699
  451    HD2  PHE  57           2HD      PHE  57  -3.441   0.121   9.508
  452    HE1  PHE  57           1HE      PHE  57  -5.277  -4.442   9.414
  453    HE2  PHE  57           2HE      PHE  57  -2.048  -1.775  10.222
  454    HZ   PHE  57           HZ       PHE  57  -2.965  -4.062  10.176
  455    H    LEU  58           H        LEU  58  -6.098   1.052   4.843
  456    HA   LEU  58           HA       LEU  58  -8.186   3.032   5.366
  457   1HB   LEU  58          2HB       LEU  58  -6.479   2.365   3.010
  458   2HB   LEU  58          1HB       LEU  58  -8.022   3.153   2.741
  459    HG   LEU  58           HG       LEU  58  -6.938   4.730   4.696
  460   1HD1  LEU  58          1HD1      LEU  58  -4.816   3.355   4.396
  461   2HD1  LEU  58          2HD1      LEU  58  -4.659   5.110   4.305
  462   3HD1  LEU  58          3HD1      LEU  58  -4.663   4.147   2.827
  463   1HD2  LEU  58          1HD2      LEU  58  -6.650   5.026   1.708
  464   2HD2  LEU  58          2HD2      LEU  58  -6.505   6.328   2.890
  465   3HD2  LEU  58          3HD2      LEU  58  -8.048   5.502   2.674
  466    H    GLY  59           H        GLY  59 -10.201   2.938   4.148
  467   1HA   GLY  59          2HA       GLY  59 -11.168   0.185   3.997
  468   2HA   GLY  59          1HA       GLY  59 -12.161   1.633   4.044
  469    HA   PRO  60           HA       PRO  60 -11.666  -0.091  -0.362
  470   1HB   PRO  60          2HB       PRO  60 -14.298  -0.711  -0.757
  471   2HB   PRO  60          1HB       PRO  60 -13.101  -1.865  -0.158
  472   1HG   PRO  60          2HG       PRO  60 -15.112  -0.258   1.367
  473   2HG   PRO  60          1HG       PRO  60 -14.641  -1.955   1.579
  474   1HD   PRO  60          2HD       PRO  60 -13.712   0.005   3.184
  475   2HD   PRO  60          1HD       PRO  60 -12.729  -1.408   2.752
  476    H    LYS  61           H        LYS  61 -13.856   2.071   1.304
  477    HA   LYS  61           HA       LYS  61 -14.906   3.366  -0.993
  478   1HB   LYS  61          2HB       LYS  61 -15.465   5.200   0.660
  479   2HB   LYS  61          1HB       LYS  61 -16.119   3.610   1.032
  480   1HG   LYS  61          2HG       LYS  61 -13.590   3.795   2.283
  481   2HG   LYS  61          1HG       LYS  61 -14.469   5.284   2.632
  482   1HD   LYS  61          2HD       LYS  61 -15.605   2.516   3.015
  483   2HD   LYS  61          1HD       LYS  61 -14.836   3.456   4.295
  484   1HE   LYS  61          2HE       LYS  61 -16.587   5.279   3.442
  485   2HE   LYS  61          1HE       LYS  61 -17.467   3.822   2.979
  486   1HZ   LYS  61          1HZ       LYS  61 -17.723   3.177   5.141
  487   2HZ   LYS  61          2HZ       LYS  61 -17.754   4.856   5.340
  488   3HZ   LYS  61          3HZ       LYS  61 -16.341   3.990   5.684
  489    H    ASP  62           H        ASP  62 -11.974   3.673   0.831
  490    HA   ASP  62           HA       ASP  62 -11.261   6.149  -0.565
  491   1HB   ASP  62          2HB       ASP  62 -10.033   4.702   1.783
  492   2HB   ASP  62          1HB       ASP  62  -9.243   6.060   0.986
  493    H    LEU  63           H        LEU  63 -11.264   3.157  -1.506
  494    HA   LEU  63           HA       LEU  63  -8.510   3.122  -2.530
  495   1HB   LEU  63          2HB       LEU  63 -10.463   1.008  -1.795
  496   2HB   LEU  63          1HB       LEU  63  -9.422   0.680  -3.167
  497    HG   LEU  63           HG       LEU  63  -7.470   0.749  -1.847
  498   1HD1  LEU  63          1HD1      LEU  63  -8.034   1.252   0.758
  499   2HD1  LEU  63          2HD1      LEU  63  -9.120   2.378  -0.054
  500   3HD1  LEU  63          3HD1      LEU  63  -7.387   2.438  -0.375
  501   1HD2  LEU  63          1HD2      LEU  63  -9.603  -0.567  -0.174
  502   2HD2  LEU  63          2HD2      LEU  63  -7.876  -0.921  -0.137
  503   3HD2  LEU  63          3HD2      LEU  63  -8.819  -1.283  -1.582
  504    H    PHE  64           H        PHE  64  -8.136   3.163  -4.700
  505    HA   PHE  64           HA       PHE  64 -10.456   3.028  -6.502
  506   1HB   PHE  64          2HB       PHE  64  -8.270   5.115  -6.689
  507   2HB   PHE  64          1HB       PHE  64  -9.681   4.973  -7.732
  508    HD1  PHE  64           1HD      PHE  64 -11.432   6.389  -7.330
  509    HD2  PHE  64           2HD      PHE  64  -8.890   5.291  -4.097
  510    HE1  PHE  64           1HE      PHE  64 -12.692   7.884  -5.835
  511    HE2  PHE  64           2HE      PHE  64 -10.147   6.783  -2.597
  512    HZ   PHE  64           HZ       PHE  64 -12.051   8.081  -3.465
  513    HA   PRO  65           HA       PRO  65  -7.882   0.530  -9.075
  514   1HB   PRO  65          2HB       PRO  65  -8.977   1.763 -11.489
  515   2HB   PRO  65          1HB       PRO  65  -9.223   0.133 -10.865
  516   1HG   PRO  65          2HG       PRO  65 -11.184   1.993 -10.877
  517   2HG   PRO  65          1HG       PRO  65 -11.061   0.745  -9.623
  518   1HD   PRO  65          2HD       PRO  65 -10.235   3.625  -9.519
  519   2HD   PRO  65          1HD       PRO  65 -11.057   2.643  -8.288
  520    H    TYR  66           H        TYR  66  -5.762   1.052  -9.086
  521    HA   TYR  66           HA       TYR  66  -4.641   3.516  -9.680
  522   1HB   TYR  66          2HB       TYR  66  -3.383   1.813  -8.509
  523   2HB   TYR  66          1HB       TYR  66  -3.409   0.765  -9.924
  524    HD1  TYR  66           1HD      TYR  66  -2.143   4.018  -8.666
  525    HD2  TYR  66           2HD      TYR  66  -1.751   0.947 -11.584
  526    HE1  TYR  66           1HE      TYR  66  -0.055   5.048  -9.464
  527    HE2  TYR  66           2HE      TYR  66   0.334   1.967 -12.391
  528    HH   TYR  66           HH       TYR  66   1.346   5.100 -11.414
  529    H    GLU  67           H        GLU  67  -4.579   0.652 -11.817
  530    HA   GLU  67           HA       GLU  67  -3.463   1.818 -14.044
  531   1HB   GLU  67          2HB       GLU  67  -4.921  -0.579 -13.467
  532   2HB   GLU  67          1HB       GLU  67  -5.478   0.068 -15.005
  533   1HG   GLU  67          2HG       GLU  67  -2.746   0.290 -15.195
  534   2HG   GLU  67          1HG       GLU  67  -2.967  -1.223 -14.317
  535    H    GLU  68           H        GLU  68  -6.852   1.823 -13.097
  536    HA   GLU  68           HA       GLU  68  -7.794   3.148 -15.412
  537   1HB   GLU  68          2HB       GLU  68  -8.960   1.784 -13.350
  538   2HB   GLU  68          1HB       GLU  68  -9.420   3.444 -12.995
  539   1HG   GLU  68          2HG       GLU  68 -10.973   3.396 -14.565
  540   2HG   GLU  68          1HG       GLU  68  -9.786   2.925 -15.779
  541    H    SER  69           H        SER  69  -6.822   4.293 -12.208
  542    HA   SER  69           HA       SER  69  -7.402   7.038 -13.099
  543   1HB   SER  69          2HB       SER  69  -6.686   6.282 -10.279
  544   2HB   SER  69          1HB       SER  69  -7.596   7.679 -10.852
  545    HG   SER  69           HG       SER  69  -9.201   6.417 -10.244
  546    H    LYS  70           H        LYS  70  -4.871   5.102 -13.365
  547    HA   LYS  70           HA       LYS  70  -2.735   6.337 -12.080
  548   1HB   LYS  70          2HB       LYS  70  -1.307   5.301 -13.751
  549   2HB   LYS  70          1HB       LYS  70  -2.561   4.182 -13.237
  550   1HG   LYS  70          2HG       LYS  70  -3.849   4.926 -15.299
  551   2HG   LYS  70          1HG       LYS  70  -2.341   5.672 -15.829
  552   1HD   LYS  70          2HD       LYS  70  -1.948   2.943 -14.916
  553   2HD   LYS  70          1HD       LYS  70  -3.115   3.040 -16.237
  554   1HE   LYS  70          2HE       LYS  70  -1.220   4.679 -17.192
  555   2HE   LYS  70          1HE       LYS  70  -0.215   3.613 -16.211
  556   1HZ   LYS  70          1HZ       LYS  70  -2.158   2.272 -17.887
  557   2HZ   LYS  70          2HZ       LYS  70  -0.534   1.900 -17.601
  558   3HZ   LYS  70          3HZ       LYS  70  -0.941   3.093 -18.729
  559    H    GLU  71           H        GLU  71  -4.139   7.044 -15.261
  560    HA   GLU  71           HA       GLU  71  -2.297   9.107 -15.898
  561   1HB   GLU  71          2HB       GLU  71  -3.812   9.643 -17.726
  562   2HB   GLU  71          1HB       GLU  71  -3.588   7.902 -17.606
  563   1HG   GLU  71          2HG       GLU  71  -5.743   7.526 -17.110
  564   2HG   GLU  71          1HG       GLU  71  -5.876   8.971 -16.110
  565    H    LYS  72           H        LYS  72  -5.237   9.029 -14.043
  566    HA   LYS  72           HA       LYS  72  -5.619  11.889 -14.129
  567   1HB   LYS  72          2HB       LYS  72  -7.570  10.476 -14.048
  568   2HB   LYS  72          1HB       LYS  72  -6.997   9.696 -12.581
  569   1HG   LYS  72          2HG       LYS  72  -7.803  11.304 -11.276
  570   2HG   LYS  72          1HG       LYS  72  -7.219  12.587 -12.333
  571   1HD   LYS  72          2HD       LYS  72  -9.643  12.646 -12.201
  572   2HD   LYS  72          1HD       LYS  72  -9.134  12.197 -13.830
  573   1HE   LYS  72          2HE       LYS  72  -9.430   9.844 -12.217
  574   2HE   LYS  72          1HE       LYS  72 -10.895  10.818 -12.123
  575   1HZ   LYS  72          1HZ       LYS  72 -11.430   9.850 -14.040
  576   2HZ   LYS  72          2HZ       LYS  72  -9.860   9.285 -14.317
  577   3HZ   LYS  72          3HZ       LYS  72 -10.283  10.861 -14.766
  578    H    PHE  73           H        PHE  73  -4.612   9.496 -11.691
  579    HA   PHE  73           HA       PHE  73  -3.893  11.707  -9.894
  580   1HB   PHE  73          2HB       PHE  73  -4.082   8.742  -9.337
  581   2HB   PHE  73          1HB       PHE  73  -3.753   9.992  -8.145
  582    HD1  PHE  73           1HD      PHE  73  -6.009   7.918  -8.164
  583    HD2  PHE  73           2HD      PHE  73  -5.808  11.973  -9.445
  584    HE1  PHE  73           1HE      PHE  73  -8.422   8.162  -7.757
  585    HE2  PHE  73           2HE      PHE  73  -8.221  12.223  -9.035
  586    HZ   PHE  73           HZ       PHE  73  -9.531  10.318  -8.193
  587    H    GLY  74           H        GLY  74  -2.369   9.759 -12.163
  588   1HA   GLY  74          2HA       GLY  74   0.097   9.426 -10.674
  589   2HA   GLY  74          1HA       GLY  74  -0.193   8.937 -12.334
  590    H    LYS  75           H        LYS  75   0.343  11.797 -10.293
  591    HA   LYS  75           HA       LYS  75   2.116  12.879 -12.310
  592   1HB   LYS  75          2HB       LYS  75  -0.485  14.167 -11.544
  593   2HB   LYS  75          1HB       LYS  75   0.882  15.148 -12.054
  594   1HG   LYS  75          2HG       LYS  75   0.678  13.141 -13.975
  595   2HG   LYS  75          1HG       LYS  75  -0.983  13.629 -13.635
  596   1HD   LYS  75          2HD       LYS  75   0.986  15.810 -13.956
  597   2HD   LYS  75          1HD       LYS  75   0.599  14.887 -15.408
  598   1HE   LYS  75          2HE       LYS  75  -1.867  15.342 -14.246
  599   2HE   LYS  75          1HE       LYS  75  -0.990  16.846 -13.963
  600   1HZ   LYS  75          1HZ       LYS  75  -0.972  17.347 -16.140
  601   2HZ   LYS  75          2HZ       LYS  75  -2.303  16.305 -16.212
  602   3HZ   LYS  75          3HZ       LYS  75  -0.766  15.743 -16.638
  603    HA   PRO  76           HA       PRO  76   4.622  14.308  -8.983
  604   1HB   PRO  76          2HB       PRO  76   4.292  17.014 -10.232
  605   2HB   PRO  76          1HB       PRO  76   5.762  16.221  -9.646
  606   1HG   PRO  76          2HG       PRO  76   5.244  16.277 -12.240
  607   2HG   PRO  76          1HG       PRO  76   5.890  14.806 -11.487
  608   1HD   PRO  76          2HD       PRO  76   3.128  15.386 -12.442
  609   2HD   PRO  76          1HD       PRO  76   4.017  13.850 -12.417
  610    H    ASN  77           H        ASN  77   4.199  14.890  -6.951
  611    HA   ASN  77           HA       ASN  77   1.756  16.462  -6.462
  612   1HB   ASN  77          2HB       ASN  77   2.401  13.937  -5.556
  613   2HB   ASN  77          1HB       ASN  77   2.787  14.963  -4.176
  614   1HD2  ASN  77          1HD2      ASN  77   0.387  13.292  -5.739
  615   2HD2  ASN  77          2HD2      ASN  77  -0.988  14.028  -4.996
  616    H    LYS  78           H        LYS  78   1.763  17.544  -4.251
  617    HA   LYS  78           HA       LYS  78   4.165  19.194  -4.095
  618   1HB   LYS  78          2HB       LYS  78   1.596  19.942  -4.139
  619   2HB   LYS  78          1HB       LYS  78   1.785  19.752  -2.402
  620   1HG   LYS  78          2HG       LYS  78   4.021  21.206  -3.364
  621   2HG   LYS  78          1HG       LYS  78   2.562  21.927  -4.049
  622   1HD   LYS  78          2HD       LYS  78   1.829  21.498  -1.446
  623   2HD   LYS  78          1HD       LYS  78   3.537  21.910  -1.289
  624   1HE   LYS  78          2HE       LYS  78   1.525  23.546  -2.826
  625   2HE   LYS  78          1HE       LYS  78   1.998  23.866  -1.158
  626   1HZ   LYS  78          1HZ       LYS  78   3.482  25.200  -2.174
  627   2HZ   LYS  78          2HZ       LYS  78   3.467  24.329  -3.623
  628   3HZ   LYS  78          3HZ       LYS  78   4.380  23.772  -2.314
  629    H    ARG  79           H        ARG  79   2.536  16.684  -2.385
  630    HA   ARG  79           HA       ARG  79   3.530  17.204   0.217
  631   1HB   ARG  79          2HB       ARG  79   2.497  14.722  -1.139
  632   2HB   ARG  79          1HB       ARG  79   3.088  14.693   0.515
  633   1HG   ARG  79          2HG       ARG  79   0.783  16.316  -0.534
  634   2HG   ARG  79          1HG       ARG  79   0.691  14.883   0.491
  635   1HD   ARG  79          2HD       ARG  79   1.987  16.124   2.221
  636   2HD   ARG  79          1HD       ARG  79   1.870  17.563   1.210
  637    HE   ARG  79           HE       ARG  79  -0.672  16.366   1.806
  638   1HH1  ARG  79          1HH1      ARG  79   1.777  18.583   2.932
  639   2HH1  ARG  79          2HH1      ARG  79   0.683  19.483   3.927
  640   1HH2  ARG  79          1HH2      ARG  79  -2.114  17.550   3.115
  641   2HH2  ARG  79          2HH2      ARG  79  -1.526  18.897   4.032
  642    H    LYS  80           H        LYS  80   5.018  16.185  -2.620
  643    HA   LYS  80           HA       LYS  80   7.099  15.484  -3.137
  644   1HB   LYS  80          2HB       LYS  80   7.573  16.343  -0.287
  645   2HB   LYS  80          1HB       LYS  80   8.858  15.675  -1.283
  646   1HG   LYS  80          2HG       LYS  80   7.352  18.242  -1.643
  647   2HG   LYS  80          1HG       LYS  80   9.091  17.992  -1.477
  648   1HD   LYS  80          2HD       LYS  80   9.001  16.750  -3.677
  649   2HD   LYS  80          1HD       LYS  80   7.343  17.332  -3.847
  650   1HE   LYS  80          2HE       LYS  80   8.036  19.579  -3.960
  651   2HE   LYS  80          1HE       LYS  80   9.646  19.199  -3.351
  652   1HZ   LYS  80          1HZ       LYS  80   9.739  17.759  -5.507
  653   2HZ   LYS  80          2HZ       LYS  80  10.052  19.420  -5.575
  654   3HZ   LYS  80          3HZ       LYS  80   8.539  18.825  -6.043
  655    H    GLY  81           H        GLY  81   8.225  13.582  -3.208
  656   1HA   GLY  81          2HA       GLY  81   8.844  11.421  -2.498
  657   2HA   GLY  81          1HA       GLY  81   7.730  11.574  -1.146
  658    H    PHE  82           H        PHE  82   5.709  12.597  -3.288
  659    HA   PHE  82           HA       PHE  82   4.261  10.218  -3.567
  660   1HB   PHE  82          2HB       PHE  82   3.099  12.300  -3.721
  661   2HB   PHE  82          1HB       PHE  82   4.118  12.850  -5.048
  662    HD1  PHE  82           1HD      PHE  82   1.153  11.043  -4.118
  663    HD2  PHE  82           2HD      PHE  82   3.918  11.737  -7.276
  664    HE1  PHE  82           1HE      PHE  82  -0.465  10.133  -5.732
  665    HE2  PHE  82           2HE      PHE  82   2.305  10.832  -8.896
  666    HZ   PHE  82           HZ       PHE  82   0.112  10.024  -8.121
  667    H    SER  83           H        SER  83   6.201  12.005  -5.958
  668    HA   SER  83           HA       SER  83   5.867  10.347  -8.139
  669   1HB   SER  83          2HB       SER  83   8.595  11.442  -7.704
  670   2HB   SER  83          1HB       SER  83   7.555  11.533  -9.124
  671    HG   SER  83           HG       SER  83   7.343  13.524  -8.407
  672    H    GLU  84           H        GLU  84   8.315  10.104  -5.567
  673    HA   GLU  84           HA       GLU  84   9.808   7.990  -6.493
  674   1HB   GLU  84          2HB       GLU  84   9.134   9.067  -3.829
  675   2HB   GLU  84          1HB       GLU  84   9.685   7.398  -3.838
  676   1HG   GLU  84          2HG       GLU  84  11.761   7.983  -4.785
  677   2HG   GLU  84          1HG       GLU  84  11.201   9.604  -5.196
  678    H    GLY  85           H        GLY  85   6.590   7.973  -5.114
  679   1HA   GLY  85          2HA       GLY  85   6.438   5.137  -4.792
  680   2HA   GLY  85          1HA       GLY  85   5.088   6.263  -4.751
  681    H    LEU  86           H        LEU  86   5.724   7.395  -7.367
  682    HA   LEU  86           HA       LEU  86   4.146   5.724  -8.984
  683   1HB   LEU  86          2HB       LEU  86   6.033   7.958  -9.733
  684   2HB   LEU  86          1HB       LEU  86   4.925   7.195 -10.855
  685    HG   LEU  86           HG       LEU  86   4.174   8.800  -8.412
  686   1HD1  LEU  86          1HD1      LEU  86   3.071   9.696 -10.905
  687   2HD1  LEU  86          2HD1      LEU  86   4.828   9.596 -11.021
  688   3HD1  LEU  86          3HD1      LEU  86   4.082  10.565  -9.750
  689   1HD2  LEU  86          1HD2      LEU  86   2.584   7.026  -8.657
  690   2HD2  LEU  86          2HD2      LEU  86   2.463   7.307 -10.394
  691   3HD2  LEU  86          3HD2      LEU  86   1.851   8.512  -9.262
  692    H    TRP  87           H        TRP  87   7.644   6.217  -8.818
  693    HA   TRP  87           HA       TRP  87   8.334   4.523 -10.970
  694   1HB   TRP  87          2HB       TRP  87   9.914   6.148 -10.102
  695   2HB   TRP  87          1HB       TRP  87   9.909   5.370  -8.523
  696    HD1  TRP  87           HD       TRP  87  11.482   5.149 -11.953
  697    HE1  TRP  87           1HE      TRP  87  13.283   3.315 -11.949
  698    HE3  TRP  87           3HE      TRP  87  10.493   3.056  -7.396
  699    HZ2  TRP  87           2HZ      TRP  87  14.164   1.243 -10.241
  700    HZ3  TRP  87           3HZ      TRP  87  11.860   1.151  -6.651
  701    HH2  TRP  87           HH       TRP  87  13.657   0.264  -8.045
  702    H    GLU  88           H        GLU  88   8.091   3.926  -7.463
  703    HA   GLU  88           HA       GLU  88   9.011   1.274  -7.515
  704   1HB   GLU  88          2HB       GLU  88   7.828   3.080  -5.596
  705   2HB   GLU  88          1HB       GLU  88   7.172   1.460  -5.403
  706   1HG   GLU  88          2HG       GLU  88   8.973   1.282  -4.046
  707   2HG   GLU  88          1HG       GLU  88   9.727   0.802  -5.565
  708    H    ILE  89           H        ILE  89   5.652   2.508  -7.509
  709    HA   ILE  89           HA       ILE  89   4.330   0.090  -7.503
  710    HB   ILE  89           HB       ILE  89   3.322   2.397  -7.355
  711   1HG1  ILE  89          2HG1      ILE  89   1.566   1.116  -9.293
  712   2HG1  ILE  89          1HG1      ILE  89   2.227  -0.031  -8.129
  713   1HG2  ILE  89          1HG2      ILE  89   4.323   2.626  -9.965
  714   2HG2  ILE  89          2HG2      ILE  89   3.358   3.794  -9.066
  715   3HG2  ILE  89          3HG2      ILE  89   2.566   2.611 -10.105
  716   1HD1  ILE  89          1HD1      ILE  89   0.588   0.606  -6.782
  717   2HD1  ILE  89          2HD1      ILE  89   0.205   2.007  -7.784
  718   3HD1  ILE  89          3HD1      ILE  89   1.484   2.112  -6.572
  719    H    GLU  90           H        GLU  90   6.089   1.581 -10.095
  720    HA   GLU  90           HA       GLU  90   5.026  -0.333 -12.036
  721   1HB   GLU  90          2HB       GLU  90   6.756   2.114 -12.384
  722   2HB   GLU  90          1HB       GLU  90   6.289   1.044 -13.699
  723   1HG   GLU  90          2HG       GLU  90   4.280   2.419 -11.944
  724   2HG   GLU  90          1HG       GLU  90   4.932   3.154 -13.409
  725    H    ASN  91           H        ASN  91   8.152   0.729 -10.706
  726    HA   ASN  91           HA       ASN  91   9.585  -1.288 -12.179
  727   1HB   ASN  91          2HB       ASN  91  10.279   0.994 -10.461
  728   2HB   ASN  91          1HB       ASN  91  11.380  -0.373 -10.336
  729   1HD2  ASN  91          1HD2      ASN  91   9.656   1.453 -12.846
  730   2HD2  ASN  91          2HD2      ASN  91  10.989   1.533 -13.940
  731    H    ASN  92           H        ASN  92   8.304  -0.959  -8.931
  732    HA   ASN  92           HA       ASN  92   8.793  -3.765  -8.467
  733   1HB   ASN  92          2HB       ASN  92  10.747  -2.016  -7.612
  734   2HB   ASN  92          1HB       ASN  92   9.759  -2.228  -6.170
  735   1HD2  ASN  92          1HD2      ASN  92  12.025  -3.131  -5.652
  736   2HD2  ASN  92          2HD2      ASN  92  12.200  -4.838  -5.853
  737    HA   PRO  93           HA       PRO  93   4.917  -2.311  -6.509
  738   1HB   PRO  93          2HB       PRO  93   3.373  -4.357  -7.298
  739   2HB   PRO  93          1HB       PRO  93   3.779  -3.026  -8.390
  740   1HG   PRO  93          2HG       PRO  93   4.972  -5.765  -8.215
  741   2HG   PRO  93          1HG       PRO  93   4.537  -4.823  -9.653
  742   1HD   PRO  93          2HD       PRO  93   7.089  -5.022  -8.663
  743   2HD   PRO  93          1HD       PRO  93   6.503  -3.650  -9.623
  744    H    THR  94           H        THR  94   6.887  -5.097  -6.143
  745    HA   THR  94           HA       THR  94   5.359  -6.000  -3.812
  746    HB   THR  94           HB       THR  94   7.123  -7.914  -3.944
  747    HG1  THR  94           1HG      THR  94   8.529  -7.315  -5.441
  748   1HG2  THR  94          1HG2      THR  94   5.850  -8.957  -5.920
  749   2HG2  THR  94          2HG2      THR  94   4.846  -7.510  -5.831
  750   3HG2  THR  94          3HG2      THR  94   4.969  -8.584  -4.438
  751    H    VAL  95           H        VAL  95   7.496  -3.693  -4.214
  752    HA   VAL  95           HA       VAL  95   9.688  -4.307  -2.581
  753    HB   VAL  95           HB       VAL  95   9.619  -2.337  -4.049
  754   1HG1  VAL  95          1HG1      VAL  95   7.815  -1.039  -4.043
  755   2HG1  VAL  95          2HG1      VAL  95   8.347  -0.398  -2.489
  756   3HG1  VAL  95          3HG1      VAL  95   7.233  -1.762  -2.544
  757   1HG2  VAL  95          1HG2      VAL  95  10.818  -0.852  -2.622
  758   2HG2  VAL  95          2HG2      VAL  95  11.154  -2.494  -2.070
  759   3HG2  VAL  95          3HG2      VAL  95  10.010  -1.482  -1.186
  760    H    LYS  96           H        LYS  96  10.105  -4.013  -0.412
  761    HA   LYS  96           HA       LYS  96   7.946  -3.098   1.319
  762   1HB   LYS  96          2HB       LYS  96   8.821  -5.875   1.051
  763   2HB   LYS  96          1HB       LYS  96   8.860  -5.295   2.710
  764   1HG   LYS  96          2HG       LYS  96   6.524  -4.674   2.585
  765   2HG   LYS  96          1HG       LYS  96   6.468  -5.158   0.888
  766   1HD   LYS  96          2HD       LYS  96   7.499  -7.367   2.270
  767   2HD   LYS  96          1HD       LYS  96   6.171  -6.763   3.263
  768   1HE   LYS  96          2HE       LYS  96   5.301  -8.384   1.722
  769   2HE   LYS  96          1HE       LYS  96   4.723  -6.788   1.246
  770   1HZ   LYS  96          1HZ       LYS  96   6.447  -8.619  -0.166
  771   2HZ   LYS  96          2HZ       LYS  96   7.001  -7.021  -0.169
  772   3HZ   LYS  96          3HZ       LYS  96   5.459  -7.382  -0.764
  773    H    ALA  97           H        ALA  97  10.765  -2.311   0.489
  774    HA   ALA  97           HA       ALA  97  12.631  -1.404   1.427
  775   1HB   ALA  97          1HB       ALA  97  12.303  -0.416   3.717
  776   2HB   ALA  97          2HB       ALA  97  10.689  -1.125   3.710
  777   3HB   ALA  97          3HB       ALA  97  11.125   0.084   2.504
  778    H    SER  98           H        SER  98  13.752  -3.437   1.302
  779    HA   SER  98           HA       SER  98  14.009  -4.864   3.857
  780   1HB   SER  98          2HB       SER  98  13.481  -6.395   2.119
  781   2HB   SER  98          1HB       SER  98  14.643  -5.659   1.015
  782    HG   SER  98           HG       SER  98  15.272  -7.065   3.402
  783    H    GLY  99           H        GLY  99  15.988  -5.143   4.848
  784   1HA   GLY  99          2HA       GLY  99  18.239  -4.831   5.275
  785   2HA   GLY  99          1HA       GLY  99  18.434  -4.255   3.626
  786    H    TYR 100           H        TYR 100  16.267  -2.991   6.119
  787    HA   TYR 100           HA       TYR 100  17.891  -0.539   6.209
  788   1HB   TYR 100          2HB       TYR 100  15.881  -0.292   4.712
  789   2HB   TYR 100          1HB       TYR 100  14.869  -0.565   6.127
  790    HD1  TYR 100           1HD      TYR 100  14.525   1.155   7.749
  791    HD2  TYR 100           2HD      TYR 100  17.259   1.748   4.546
  792    HE1  TYR 100           1HE      TYR 100  14.620   3.550   8.282
  793    HE2  TYR 100           2HE      TYR 100  17.364   4.146   5.071
  794    HH   TYR 100           HH       TYR 100  15.251   5.767   6.697
  795    H    GLN 101           H        GLN 101  18.721  -0.830   8.224
  796    HA   GLN 101           HA       GLN 101  17.107  -1.721  10.428
  797   1HB   GLN 101          2HB       GLN 101  19.939  -0.735  10.171
  798   2HB   GLN 101          1HB       GLN 101  19.213  -1.039  11.744
  799   1HG   GLN 101          2HG       GLN 101  19.491  -3.233  11.556
  800   2HG   GLN 101          1HG       GLN 101  18.824  -3.257   9.924
  801   1HE2  GLN 101          1HE2      GLN 101  20.190  -4.157   8.573
  802   2HE2  GLN 101          2HE2      GLN 101  21.903  -3.940   8.552
  803    H    SER 102           H        SER 102  15.624  -0.429  11.293
  804    HA   SER 102           HA       SER 102  16.240   2.439  11.562
  805   1HB   SER 102          2HB       SER 102  14.124   1.427  10.262
  806   2HB   SER 102          1HB       SER 102  13.446   1.475  11.889
  807    HG   SER 102           HG       SER 102  14.691   3.681  10.613
  808    H    SER 103           H        SER 103  15.440   3.518  13.493
  809    HA   SER 103           HA       SER 103  15.313   3.762  15.751
  810   1HB   SER 103          2HB       SER 103  14.164   0.966  15.806
  811   2HB   SER 103          1HB       SER 103  13.901   2.262  16.972
  812    HG   SER 103           HG       SER 103  13.008   2.154  14.282
  813    H    GLN 104           H        GLN 104  17.767   2.915  14.746
  814    HA   GLN 104           HA       GLN 104  18.719   0.909  16.660
  815   1HB   GLN 104          2HB       GLN 104  20.217   2.144  14.346
  816   2HB   GLN 104          1HB       GLN 104  20.705   0.747  15.295
  817   1HG   GLN 104          2HG       GLN 104  18.088   0.591  13.931
  818   2HG   GLN 104          1HG       GLN 104  19.530   0.549  12.917
  819   1HE2  GLN 104          1HE2      GLN 104  21.173  -1.061  13.493
  820   2HE2  GLN 104          2HE2      GLN 104  20.652  -2.583  14.122
  821    H    LYS 105           H        LYS 105  19.945   1.433  18.359
  822    HA   LYS 105           HA       LYS 105  21.040   4.167  18.486
  823   1HB   LYS 105          2HB       LYS 105  19.261   2.751  20.317
  824   2HB   LYS 105          1HB       LYS 105  20.694   3.375  21.121
  825   1HG   LYS 105          2HG       LYS 105  19.225   5.127  21.334
  826   2HG   LYS 105          1HG       LYS 105  20.113   5.580  19.878
  827   1HD   LYS 105          2HD       LYS 105  18.009   5.891  19.085
  828   2HD   LYS 105          1HD       LYS 105  18.151   4.165  18.747
  829   1HE   LYS 105          2HE       LYS 105  16.761   3.573  20.473
  830   2HE   LYS 105          1HE       LYS 105  17.140   5.014  21.415
  831   1HZ   LYS 105          1HZ       LYS 105  15.555   5.077  18.909
  832   2HZ   LYS 105          2HZ       LYS 105  15.754   6.326  20.034
  833   3HZ   LYS 105          3HZ       LYS 105  14.858   4.951  20.446
  834    H    LYS 106           H        LYS 106  22.964   4.431  19.765
  835    HA   LYS 106           HA       LYS 106  24.470   1.945  20.215
  836   1HB   LYS 106          2HB       LYS 106  25.192   4.298  18.545
  837   2HB   LYS 106          1HB       LYS 106  26.476   3.547  19.481
  838   1HG   LYS 106          2HG       LYS 106  26.634   1.846  18.065
  839   2HG   LYS 106          1HG       LYS 106  24.892   1.573  18.087
  840   1HD   LYS 106          2HD       LYS 106  24.721   2.438  16.046
  841   2HD   LYS 106          1HD       LYS 106  25.400   3.961  16.623
  842   1HE   LYS 106          2HE       LYS 106  26.960   3.455  15.048
  843   2HE   LYS 106          1HE       LYS 106  27.662   2.587  16.414
  844   1HZ   LYS 106          1HZ       LYS 106  26.107   1.482  14.152
  845   2HZ   LYS 106          2HZ       LYS 106  26.360   0.606  15.577
  846   3HZ   LYS 106          3HZ       LYS 106  27.680   1.088  14.635
  847    H    SER 107           H        SER 107  25.922   1.960  21.922
  848    HA   SER 107           HA       SER 107  26.136   4.403  23.518
  849   1HB   SER 107          2HB       SER 107  24.722   1.930  24.297
  850   2HB   SER 107          1HB       SER 107  25.837   2.568  25.506
  851    HG   SER 107           HG       SER 107  24.737   4.593  25.282
  852    H    CYS 108           H        CYS 108  27.584   3.722  25.578
  853    HA   CYS 108           HA       CYS 108  29.773   1.998  24.674
  854   1HB   CYS 108          2HB       CYS 108  29.951   4.727  24.442
  855   2HB   CYS 108          1HB       CYS 108  30.689   4.445  26.015
  856    HG   CYS 108           HG       CYS 108  31.820   3.477  23.308
  857    H    ALA 109           H        ALA 109  31.286   1.441  26.422
  858    HA   ALA 109           HA       ALA 109  29.826   1.032  28.907
  859   1HB   ALA 109          1HB       ALA 109  32.051  -0.312  29.373
  860   2HB   ALA 109          2HB       ALA 109  32.195  -0.217  27.618
  861   3HB   ALA 109          3HB       ALA 109  30.776  -0.968  28.347
  862    H    GLU 110           H        GLU 110  33.190   1.939  28.125
  863    HA   GLU 110           HA       GLU 110  34.658   3.353  29.133
  864   1HB   GLU 110          2HB       GLU 110  32.259   4.751  28.902
  865   2HB   GLU 110          1HB       GLU 110  32.752   5.017  30.568
  866   1HG   GLU 110          2HG       GLU 110  35.086   5.426  29.216
  867   2HG   GLU 110          1HG       GLU 110  33.886   6.042  28.081
  Start of MODEL   12
    1   1H    MET   1          1HT       MET   1 -26.725  -0.845   8.340
    2   2H    MET   1          2HT       MET   1 -28.394  -0.465   8.472
    3   3H    MET   1          3HT       MET   1 -27.221   0.542   9.216
    4    HA   MET   1           HA       MET   1 -28.223   1.355   7.107
    5   1HB   MET   1          2HB       MET   1 -25.950   2.104   6.302
    6   2HB   MET   1          1HB       MET   1 -26.266   2.379   8.010
    7   1HG   MET   1          2HG       MET   1 -24.930   0.478   8.619
    8   2HG   MET   1          1HG       MET   1 -24.715   0.041   6.924
    9   1HE   MET   1          1HE       MET   1 -22.124  -0.135   7.474
   10   2HE   MET   1          2HE       MET   1 -22.305   0.468   9.121
   11   3HE   MET   1          3HE       MET   1 -21.134   1.213   8.032
   12    H    SER   2           H        SER   2 -28.871   0.749   5.152
   13    HA   SER   2           HA       SER   2 -27.285  -1.230   3.669
   14   1HB   SER   2          2HB       SER   2 -30.300  -1.304   3.675
   15   2HB   SER   2          1HB       SER   2 -29.176  -2.533   3.095
   16    HG   SER   2           HG       SER   2 -30.111  -3.017   5.160
   17    H    ARG   3           H        ARG   3 -26.544  -0.053   2.014
   18    HA   ARG   3           HA       ARG   3 -28.502   1.244   0.274
   19   1HB   ARG   3          2HB       ARG   3 -25.939   2.637   1.043
   20   2HB   ARG   3          1HB       ARG   3 -27.271   3.285   0.096
   21   1HG   ARG   3          2HG       ARG   3 -28.567   2.693   2.377
   22   2HG   ARG   3          1HG       ARG   3 -26.959   3.043   3.012
   23   1HD   ARG   3          2HD       ARG   3 -27.546   5.034   1.097
   24   2HD   ARG   3          1HD       ARG   3 -28.975   4.858   2.115
   25    HE   ARG   3           HE       ARG   3 -26.507   6.046   2.848
   26   1HH1  ARG   3          1HH1      ARG   3 -29.111   4.097   4.112
   27   2HH1  ARG   3          2HH1      ARG   3 -28.880   4.626   5.746
   28   1HH2  ARG   3          1HH2      ARG   3 -26.202   6.741   4.995
   29   2HH2  ARG   3          2HH2      ARG   3 -27.229   6.126   6.248
   30    H    SER   4           H        SER   4 -28.249  -0.113  -1.415
   31    HA   SER   4           HA       SER   4 -27.317  -1.108  -3.235
   32   1HB   SER   4          2HB       SER   4 -25.205   1.014  -2.791
   33   2HB   SER   4          1HB       SER   4 -25.305  -0.007  -4.225
   34    HG   SER   4           HG       SER   4 -27.418   0.870  -4.563
   35    H    ASN   5           H        ASN   5 -26.766  -3.143  -2.756
   36    HA   ASN   5           HA       ASN   5 -24.466  -3.699  -1.067
   37   1HB   ASN   5          2HB       ASN   5 -25.188  -6.083  -1.349
   38   2HB   ASN   5          1HB       ASN   5 -26.424  -5.038  -0.655
   39   1HD2  ASN   5          1HD2      ASN   5 -25.364  -6.643  -3.587
   40   2HD2  ASN   5          2HD2      ASN   5 -26.916  -6.690  -4.345
   41    H    ARG   6           H        ARG   6 -23.170  -5.746  -1.879
   42    HA   ARG   6           HA       ARG   6 -21.570  -6.533  -3.290
   43   1HB   ARG   6          2HB       ARG   6 -23.691  -6.965  -4.658
   44   2HB   ARG   6          1HB       ARG   6 -23.256  -5.529  -5.577
   45   1HG   ARG   6          2HG       ARG   6 -21.242  -6.529  -6.346
   46   2HG   ARG   6          1HG       ARG   6 -21.425  -7.890  -5.237
   47   1HD   ARG   6          2HD       ARG   6 -23.387  -7.246  -7.430
   48   2HD   ARG   6          1HD       ARG   6 -22.039  -8.366  -7.625
   49    HE   ARG   6           HE       ARG   6 -24.510  -8.861  -6.270
   50   1HH1  ARG   6          1HH1      ARG   6 -21.127  -9.712  -6.375
   51   2HH1  ARG   6          2HH1      ARG   6 -21.369 -11.272  -5.664
   52   1HH2  ARG   6          1HH2      ARG   6 -24.830 -10.914  -5.334
   53   2HH2  ARG   6          2HH2      ARG   6 -23.470 -11.955  -5.074
   54    H    GLN   7           H        GLN   7 -19.703  -5.484  -3.273
   55    HA   GLN   7           HA       GLN   7 -19.477  -3.006  -4.840
   56   1HB   GLN   7          2HB       GLN   7 -19.108  -3.333  -1.996
   57   2HB   GLN   7          1HB       GLN   7 -17.603  -2.821  -2.748
   58   1HG   GLN   7          2HG       GLN   7 -19.718  -1.263  -3.833
   59   2HG   GLN   7          1HG       GLN   7 -19.865  -1.263  -2.076
   60   1HE2  GLN   7          1HE2      GLN   7 -17.770  -0.511  -4.773
   61   2HE2  GLN   7          2HE2      GLN   7 -16.741   0.584  -3.920
   62    H    LYS   8           H        LYS   8 -16.918  -2.465  -4.843
   63    HA   LYS   8           HA       LYS   8 -15.751  -4.687  -6.270
   64   1HB   LYS   8          2HB       LYS   8 -15.620  -2.204  -6.922
   65   2HB   LYS   8          1HB       LYS   8 -14.392  -2.067  -5.671
   66   1HG   LYS   8          2HG       LYS   8 -13.538  -4.239  -7.114
   67   2HG   LYS   8          1HG       LYS   8 -14.218  -3.184  -8.354
   68   1HD   LYS   8          2HD       LYS   8 -12.726  -1.529  -6.633
   69   2HD   LYS   8          1HD       LYS   8 -11.733  -2.955  -6.939
   70   1HE   LYS   8          2HE       LYS   8 -12.944  -1.091  -8.972
   71   2HE   LYS   8          1HE       LYS   8 -11.233  -1.323  -8.615
   72   1HZ   LYS   8          1HZ       LYS   8 -13.087  -3.163  -9.997
   73   2HZ   LYS   8          2HZ       LYS   8 -11.642  -3.720  -9.319
   74   3HZ   LYS   8          3HZ       LYS   8 -11.606  -2.550 -10.540
   75    H    GLU   9           H        GLU   9 -14.565  -6.202  -5.345
   76    HA   GLU   9           HA       GLU   9 -13.379  -5.702  -2.719
   77   1HB   GLU   9          2HB       GLU   9 -12.975  -8.195  -2.761
   78   2HB   GLU   9          1HB       GLU   9 -14.664  -7.703  -2.783
   79   1HG   GLU   9          2HG       GLU   9 -14.842  -8.168  -5.116
   80   2HG   GLU   9          1HG       GLU   9 -13.106  -8.442  -5.246
   81    H    TYR  10           H        TYR  10 -11.202  -5.925  -2.284
   82    HA   TYR  10           HA       TYR  10  -9.444  -6.032  -4.652
   83   1HB   TYR  10          2HB       TYR  10  -9.004  -4.620  -2.009
   84   2HB   TYR  10          1HB       TYR  10  -7.859  -4.660  -3.346
   85    HD1  TYR  10           1HD      TYR  10 -11.057  -3.301  -2.164
   86    HD2  TYR  10           2HD      TYR  10  -8.208  -3.319  -5.323
   87    HE1  TYR  10           1HE      TYR  10 -12.128  -1.312  -3.133
   88    HE2  TYR  10           2HE      TYR  10  -9.270  -1.328  -6.300
   89    HH   TYR  10           HH       TYR  10 -11.327   0.637  -4.690
   90    H    LYS  11           H        LYS  11  -7.321  -7.001  -4.347
   91    HA   LYS  11           HA       LYS  11  -7.191  -8.899  -2.113
   92   1HB   LYS  11          2HB       LYS  11  -6.772  -9.511  -5.037
   93   2HB   LYS  11          1HB       LYS  11  -6.256 -10.584  -3.743
   94   1HG   LYS  11          2HG       LYS  11  -9.098  -9.671  -3.927
   95   2HG   LYS  11          1HG       LYS  11  -8.512 -11.020  -4.902
   96   1HD   LYS  11          2HD       LYS  11  -7.707 -12.093  -2.795
   97   2HD   LYS  11          1HD       LYS  11  -8.502 -10.800  -1.894
   98   1HE   LYS  11          2HE       LYS  11  -9.992 -12.653  -1.924
   99   2HE   LYS  11          1HE       LYS  11 -10.639 -11.450  -3.038
  100   1HZ   LYS  11          1HZ       LYS  11 -10.772 -13.205  -4.409
  101   2HZ   LYS  11          2HZ       LYS  11  -9.607 -14.104  -3.575
  102   3HZ   LYS  11          3HZ       LYS  11  -9.127 -12.915  -4.678
  103    H    CYS  12           H        CYS  12  -5.051  -9.697  -1.641
  104    HA   CYS  12           HA       CYS  12  -3.119  -7.745  -1.414
  105   1HB   CYS  12          2HB       CYS  12  -2.751 -10.746  -1.481
  106   2HB   CYS  12          1HB       CYS  12  -1.536  -9.602  -0.922
  107    HG   CYS  12           HG       CYS  12  -2.740 -10.405   1.181
  108    H    GLY  13           H        GLY  13  -1.545  -6.930  -2.689
  109   1HA   GLY  13          2HA       GLY  13   0.123  -7.024  -4.365
  110   2HA   GLY  13          1HA       GLY  13  -0.690  -8.418  -5.056
  111    H    ASP  14           H        ASP  14  -3.228  -6.581  -4.608
  112    HA   ASP  14           HA       ASP  14  -3.383  -5.743  -7.322
  113   1HB   ASP  14          2HB       ASP  14  -5.275  -6.433  -5.648
  114   2HB   ASP  14          1HB       ASP  14  -5.249  -4.730  -5.204
  115    H    LEU  15           H        LEU  15  -3.188  -3.737  -8.225
  116    HA   LEU  15           HA       LEU  15  -1.866  -1.717  -6.595
  117   1HB   LEU  15          2HB       LEU  15  -2.378  -1.789  -9.572
  118   2HB   LEU  15          1HB       LEU  15  -1.402  -0.599  -8.731
  119    HG   LEU  15           HG       LEU  15  -0.791  -3.538  -9.036
  120   1HD1  LEU  15          1HD1      LEU  15   0.106  -1.055 -10.373
  121   2HD1  LEU  15          2HD1      LEU  15  -0.064  -2.692 -11.008
  122   3HD1  LEU  15          3HD1      LEU  15   1.336  -2.269 -10.022
  123   1HD2  LEU  15          1HD2      LEU  15  -0.158  -2.619  -6.806
  124   2HD2  LEU  15          2HD2      LEU  15   0.858  -1.442  -7.636
  125   3HD2  LEU  15          3HD2      LEU  15   1.209  -3.163  -7.779
  126    H    VAL  16           H        VAL  16  -3.013  -0.211  -5.636
  127    HA   VAL  16           HA       VAL  16  -5.308   0.953  -7.036
  128    HB   VAL  16           HB       VAL  16  -6.622   0.978  -4.938
  129   1HG1  VAL  16          1HG1      VAL  16  -6.929  -1.628  -4.907
  130   2HG1  VAL  16          2HG1      VAL  16  -5.854  -1.555  -6.302
  131   3HG1  VAL  16          3HG1      VAL  16  -7.386  -0.681  -6.323
  132   1HG2  VAL  16          1HG2      VAL  16  -5.996  -0.404  -3.066
  133   2HG2  VAL  16          2HG2      VAL  16  -4.697   0.740  -3.400
  134   3HG2  VAL  16          3HG2      VAL  16  -4.540  -0.943  -3.904
  135    H    PHE  17           H        PHE  17  -6.124   2.914  -5.823
  136    HA   PHE  17           HA       PHE  17  -3.828   4.465  -4.802
  137   1HB   PHE  17          2HB       PHE  17  -6.163   5.203  -6.532
  138   2HB   PHE  17          1HB       PHE  17  -5.445   6.431  -5.495
  139    HD1  PHE  17           1HD      PHE  17  -2.735   6.363  -5.623
  140    HD2  PHE  17           2HD      PHE  17  -5.438   5.177  -8.685
  141    HE1  PHE  17           1HE      PHE  17  -0.991   6.760  -7.310
  142    HE2  PHE  17           2HE      PHE  17  -3.703   5.572 -10.379
  143    HZ   PHE  17           HZ       PHE  17  -1.473   6.366  -9.701
  144    H    ALA  18           H        ALA  18  -4.019   5.436  -2.813
  145    HA   ALA  18           HA       ALA  18  -6.561   5.004  -1.402
  146   1HB   ALA  18          1HB       ALA  18  -5.278   3.935   0.074
  147   2HB   ALA  18          2HB       ALA  18  -4.658   5.520   0.537
  148   3HB   ALA  18          3HB       ALA  18  -3.794   4.549  -0.656
  149    H    LYS  19           H        LYS  19  -7.715   6.727  -0.890
  150    HA   LYS  19           HA       LYS  19  -6.518   9.368  -1.129
  151   1HB   LYS  19          2HB       LYS  19  -8.673   8.861  -2.256
  152   2HB   LYS  19          1HB       LYS  19  -9.406   8.601  -0.679
  153   1HG   LYS  19          2HG       LYS  19 -10.020  10.773  -1.309
  154   2HG   LYS  19          1HG       LYS  19  -8.726  10.979  -0.127
  155   1HD   LYS  19          2HD       LYS  19  -7.130  11.161  -2.064
  156   2HD   LYS  19          1HD       LYS  19  -8.539  11.214  -3.125
  157   1HE   LYS  19          2HE       LYS  19  -7.753  13.461  -2.645
  158   2HE   LYS  19          1HE       LYS  19  -9.348  13.201  -1.942
  159   1HZ   LYS  19          1HZ       LYS  19  -7.416  12.484  -0.043
  160   2HZ   LYS  19          2HZ       LYS  19  -8.532  13.753   0.025
  161   3HZ   LYS  19          3HZ       LYS  19  -7.003  14.007  -0.653
  162    H    MET  20           H        MET  20  -6.064  10.662   0.520
  163    HA   MET  20           HA       MET  20  -7.085   9.956   3.191
  164   1HB   MET  20          2HB       MET  20  -4.317  10.208   2.262
  165   2HB   MET  20          1HB       MET  20  -4.660  11.173   3.691
  166   1HG   MET  20          2HG       MET  20  -5.769   8.904   4.493
  167   2HG   MET  20          1HG       MET  20  -4.610   8.232   3.348
  168   1HE   MET  20          1HE       MET  20  -2.652   7.655   3.665
  169   2HE   MET  20          2HE       MET  20  -2.423   7.130   5.332
  170   3HE   MET  20          3HE       MET  20  -1.379   8.376   4.649
  171    H    LYS  21           H        LYS  21  -7.495  11.694   4.599
  172    HA   LYS  21           HA       LYS  21  -8.376  14.077   3.356
  173   1HB   LYS  21          2HB       LYS  21  -8.735  14.871   5.710
  174   2HB   LYS  21          1HB       LYS  21  -9.505  13.338   5.326
  175   1HG   LYS  21          2HG       LYS  21  -7.033  12.595   6.308
  176   2HG   LYS  21          1HG       LYS  21  -7.494  13.967   7.318
  177   1HD   LYS  21          2HD       LYS  21  -8.315  11.964   8.349
  178   2HD   LYS  21          1HD       LYS  21  -9.693  12.856   7.703
  179   1HE   LYS  21          2HE       LYS  21 -10.104  10.642   7.081
  180   2HE   LYS  21          1HE       LYS  21  -9.437  11.382   5.627
  181   1HZ   LYS  21          1HZ       LYS  21  -8.436   9.239   6.009
  182   2HZ   LYS  21          2HZ       LYS  21  -7.955   9.690   7.567
  183   3HZ   LYS  21          3HZ       LYS  21  -7.269  10.446   6.219
  184    H    GLY  22           H        GLY  22  -7.098  15.629   2.597
  185   1HA   GLY  22          2HA       GLY  22  -5.684  17.513   3.148
  186   2HA   GLY  22          1HA       GLY  22  -4.804  16.465   4.249
  187    H    TYR  23           H        TYR  23  -4.801  14.271   2.224
  188    HA   TYR  23           HA       TYR  23  -2.742  15.389   0.423
  189   1HB   TYR  23          2HB       TYR  23  -2.745  12.507   1.263
  190   2HB   TYR  23          1HB       TYR  23  -1.405  13.497   0.697
  191    HD1  TYR  23           1HD      TYR  23  -0.814  15.534   2.296
  192    HD2  TYR  23           2HD      TYR  23  -2.857  12.008   3.514
  193    HE1  TYR  23           1HE      TYR  23  -0.142  15.957   4.622
  194    HE2  TYR  23           2HE      TYR  23  -2.194  12.420   5.845
  195    HH   TYR  23           HH       TYR  23  -0.960  13.686   7.222
  196    HA   PRO  24           HA       PRO  24  -5.060  13.628  -2.901
  197   1HB   PRO  24          2HB       PRO  24  -3.221  13.485  -4.826
  198   2HB   PRO  24          1HB       PRO  24  -3.708  15.046  -4.152
  199   1HG   PRO  24          2HG       PRO  24  -1.266  13.416  -3.586
  200   2HG   PRO  24          1HG       PRO  24  -1.421  15.171  -3.779
  201   1HD   PRO  24          2HD       PRO  24  -1.310  13.841  -1.348
  202   2HD   PRO  24          1HD       PRO  24  -1.972  15.469  -1.587
  203    H    HIS  25           H        HIS  25  -5.203  11.796  -4.419
  204    HA   HIS  25           HA       HIS  25  -4.973   9.317  -3.265
  205   1HB   HIS  25          2HB       HIS  25  -4.767   9.917  -6.224
  206   2HB   HIS  25          1HB       HIS  25  -5.246   8.383  -5.508
  207    HD1  HIS  25           1HD      HIS  25  -6.471  11.915  -5.975
  208    HD2  HIS  25           2HD      HIS  25  -7.903   8.200  -4.784
  209    HE1  HIS  25           1HE      HIS  25  -8.967  12.178  -5.810
  210    HE2  HIS  25           2HE      HIS  25  -9.807   9.933  -5.035
  211    H    TRP  26           H        TRP  26  -3.195   8.302  -2.535
  212    HA   TRP  26           HA       TRP  26  -0.619   8.781  -3.840
  213   1HB   TRP  26          2HB       TRP  26  -1.152   8.928  -1.265
  214   2HB   TRP  26          1HB       TRP  26  -0.918   7.187  -1.327
  215    HD1  TRP  26           HD       TRP  26   1.597   6.403  -2.322
  216    HE1  TRP  26           1HE      TRP  26   3.887   7.503  -1.857
  217    HE3  TRP  26           3HE      TRP  26   0.012  11.028  -0.821
  218    HZ2  TRP  26           2HZ      TRP  26   4.873   9.995  -0.982
  219    HZ3  TRP  26           3HZ      TRP  26   1.678  12.704  -0.192
  220    HH2  TRP  26           HH       TRP  26   4.050  12.198  -0.272
  221    HA   PRO  27           HA       PRO  27  -0.769   4.850  -5.962
  222   1HB   PRO  27          2HB       PRO  27   1.996   4.505  -6.064
  223   2HB   PRO  27          1HB       PRO  27   1.029   5.373  -7.260
  224   1HG   PRO  27          2HG       PRO  27   2.638   6.440  -4.985
  225   2HG   PRO  27          1HG       PRO  27   2.416   7.104  -6.614
  226   1HD   PRO  27          2HD       PRO  27   1.133   8.136  -4.500
  227   2HD   PRO  27          1HD       PRO  27   0.349   8.024  -6.091
  228    H    ALA  28           H        ALA  28  -1.307   3.079  -4.860
  229    HA   ALA  28           HA       ALA  28   0.580   2.022  -2.888
  230   1HB   ALA  28          1HB       ALA  28  -0.695   2.454  -1.127
  231   2HB   ALA  28          2HB       ALA  28  -2.100   1.724  -1.904
  232   3HB   ALA  28          3HB       ALA  28  -1.724   3.424  -2.182
  233    H    ARG  29           H        ARG  29  -0.310  -0.133  -2.003
  234    HA   ARG  29           HA       ARG  29  -1.766  -1.668  -4.019
  235   1HB   ARG  29          2HB       ARG  29   0.663  -1.862  -4.543
  236   2HB   ARG  29          1HB       ARG  29   0.924  -2.527  -2.937
  237   1HG   ARG  29          2HG       ARG  29  -0.733  -4.340  -3.584
  238   2HG   ARG  29          1HG       ARG  29  -0.569  -3.745  -5.236
  239   1HD   ARG  29          2HD       ARG  29   1.044  -5.357  -5.241
  240   2HD   ARG  29          1HD       ARG  29   2.002  -3.982  -4.690
  241    HE   ARG  29           HE       ARG  29   1.206  -5.010  -2.370
  242   1HH1  ARG  29          1HH1      ARG  29   2.524  -6.578  -5.200
  243   2HH1  ARG  29          2HH1      ARG  29   3.250  -7.865  -4.298
  244   1HH2  ARG  29          1HH2      ARG  29   2.166  -6.702  -1.187
  245   2HH2  ARG  29          2HH2      ARG  29   3.048  -7.935  -2.023
  246    H    ILE  30           H        ILE  30  -2.556  -3.731  -3.196
  247    HA   ILE  30           HA       ILE  30  -3.295  -3.557  -0.407
  248    HB   ILE  30           HB       ILE  30  -3.870  -5.813  -2.331
  249   1HG1  ILE  30          2HG1      ILE  30  -4.630  -3.626  -3.224
  250   2HG1  ILE  30          1HG1      ILE  30  -5.968  -4.706  -2.846
  251   1HG2  ILE  30          1HG2      ILE  30  -4.907  -6.766  -0.620
  252   2HG2  ILE  30          2HG2      ILE  30  -5.939  -5.348  -0.439
  253   3HG2  ILE  30          3HG2      ILE  30  -4.406  -5.439   0.428
  254   1HD1  ILE  30          1HD1      ILE  30  -6.821  -2.896  -1.848
  255   2HD1  ILE  30          2HD1      ILE  30  -5.249  -2.113  -1.694
  256   3HD1  ILE  30          3HD1      ILE  30  -5.742  -3.338  -0.525
  257    H    ASP  31           H        ASP  31  -2.558  -4.837   1.258
  258    HA   ASP  31           HA       ASP  31  -0.450  -6.774   0.587
  259   1HB   ASP  31          2HB       ASP  31  -0.017  -4.410   1.876
  260   2HB   ASP  31          1HB       ASP  31  -0.252  -5.506   3.234
  261    H    GLU  32           H        GLU  32  -3.336  -6.155   2.392
  262    HA   GLU  32           HA       GLU  32  -3.504  -8.913   3.139
  263   1HB   GLU  32          2HB       GLU  32  -2.322  -7.119   4.993
  264   2HB   GLU  32          1HB       GLU  32  -3.910  -7.545   5.614
  265   1HG   GLU  32          2HG       GLU  32  -3.387  -9.801   5.764
  266   2HG   GLU  32          1HG       GLU  32  -2.029  -9.658   4.649
  267    H    MET  33           H        MET  33  -5.568  -9.523   3.886
  268    HA   MET  33           HA       MET  33  -7.658  -7.640   3.131
  269   1HB   MET  33          2HB       MET  33  -7.650 -10.605   3.682
  270   2HB   MET  33          1HB       MET  33  -9.132  -9.697   3.429
  271   1HG   MET  33          2HG       MET  33  -6.894  -9.697   1.433
  272   2HG   MET  33          1HG       MET  33  -8.163 -10.921   1.434
  273   1HE   MET  33          1HE       MET  33  -7.239  -7.759  -0.474
  274   2HE   MET  33          2HE       MET  33  -7.214  -7.279   1.223
  275   3HE   MET  33          3HE       MET  33  -8.402  -6.577   0.125
  276    HA   PRO  34           HA       PRO  34  -8.953  -6.994   7.315
  277   1HB   PRO  34          2HB       PRO  34 -11.520  -6.327   7.015
  278   2HB   PRO  34          1HB       PRO  34 -10.234  -5.327   6.328
  279   1HG   PRO  34          2HG       PRO  34 -12.038  -7.286   4.979
  280   2HG   PRO  34          1HG       PRO  34 -11.439  -5.724   4.395
  281   1HD   PRO  34          2HD       PRO  34 -10.389  -8.218   3.725
  282   2HD   PRO  34          1HD       PRO  34  -9.560  -6.664   3.525
  283    H    GLU  35           H        GLU  35  -9.094  -8.593   8.780
  284    HA   GLU  35           HA       GLU  35 -10.646 -10.948   8.325
  285   1HB   GLU  35          2HB       GLU  35  -8.589 -10.113  10.146
  286   2HB   GLU  35          1HB       GLU  35  -9.908 -10.852  11.043
  287   1HG   GLU  35          2HG       GLU  35  -8.654 -12.691  10.595
  288   2HG   GLU  35          1HG       GLU  35  -9.713 -12.693   9.186
  289    H    ALA  36           H        ALA  36 -10.770  -9.218  11.383
  290    HA   ALA  36           HA       ALA  36 -13.446  -8.322  11.126
  291   1HB   ALA  36          1HB       ALA  36 -13.519 -10.412  13.161
  292   2HB   ALA  36          2HB       ALA  36 -13.304 -11.033  11.525
  293   3HB   ALA  36          3HB       ALA  36 -14.690 -10.011  11.904
  294    H    ALA  37           H        ALA  37 -11.383  -9.762  13.647
  295    HA   ALA  37           HA       ALA  37 -10.833  -7.244  14.861
  296   1HB   ALA  37          1HB       ALA  37 -12.077  -7.431  16.873
  297   2HB   ALA  37          2HB       ALA  37 -12.604  -9.066  16.472
  298   3HB   ALA  37          3HB       ALA  37 -13.218  -7.692  15.551
  299    H    VAL  38           H        VAL  38  -9.512  -9.733  13.944
  300    HA   VAL  38           HA       VAL  38  -8.467 -10.904  16.389
  301    HB   VAL  38           HB       VAL  38  -7.220 -12.406  14.901
  302   1HG1  VAL  38          1HG1      VAL  38  -9.162 -13.484  15.258
  303   2HG1  VAL  38          2HG1      VAL  38  -9.489 -13.090  13.570
  304   3HG1  VAL  38          3HG1      VAL  38 -10.138 -12.069  14.856
  305   1HG2  VAL  38          1HG2      VAL  38  -8.597 -11.062  12.587
  306   2HG2  VAL  38          2HG2      VAL  38  -7.326 -12.285  12.543
  307   3HG2  VAL  38          3HG2      VAL  38  -6.957 -10.649  13.086
  308    H    LYS  39           H        LYS  39  -7.797  -8.176  14.659
  309    HA   LYS  39           HA       LYS  39  -5.272  -7.806  15.942
  310   1HB   LYS  39          2HB       LYS  39  -3.966  -7.431  13.867
  311   2HB   LYS  39          1HB       LYS  39  -4.458  -9.107  14.072
  312   1HG   LYS  39          2HG       LYS  39  -6.073  -8.957  12.382
  313   2HG   LYS  39          1HG       LYS  39  -6.036  -7.192  12.386
  314   1HD   LYS  39          2HD       LYS  39  -4.224  -7.100  11.046
  315   2HD   LYS  39          1HD       LYS  39  -3.466  -8.501  11.804
  316   1HE   LYS  39          2HE       LYS  39  -4.008  -9.012   9.504
  317   2HE   LYS  39          1HE       LYS  39  -5.020  -9.972  10.582
  318   1HZ   LYS  39          1HZ       LYS  39  -6.706  -9.212   9.366
  319   2HZ   LYS  39          2HZ       LYS  39  -5.779  -7.995   8.647
  320   3HZ   LYS  39          3HZ       LYS  39  -6.493  -7.733  10.157
  321    H    SER  40           H        SER  40  -4.245  -5.659  14.868
  322    HA   SER  40           HA       SER  40  -6.205  -3.638  15.313
  323   1HB   SER  40          2HB       SER  40  -4.347  -2.065  14.756
  324   2HB   SER  40          1HB       SER  40  -3.906  -3.251  15.984
  325    HG   SER  40           HG       SER  40  -3.265  -3.360  13.220
  326    H    THR  41           H        THR  41  -7.518  -4.743  13.458
  327    HA   THR  41           HA       THR  41  -7.018  -3.179  11.019
  328    HB   THR  41           HB       THR  41  -6.425  -5.586  10.721
  329    HG1  THR  41           1HG      THR  41  -7.401  -5.702   8.759
  330   1HG2  THR  41          1HG2      THR  41  -8.371  -7.146  10.383
  331   2HG2  THR  41          2HG2      THR  41  -9.341  -5.992  11.298
  332   3HG2  THR  41          3HG2      THR  41  -7.954  -6.775  12.056
  333    H    ALA  42           H        ALA  42  -9.217  -4.107  13.453
  334    HA   ALA  42           HA       ALA  42 -11.464  -3.871  13.764
  335   1HB   ALA  42          1HB       ALA  42 -12.241  -1.548  12.845
  336   2HB   ALA  42          2HB       ALA  42 -10.524  -1.337  12.502
  337   3HB   ALA  42          3HB       ALA  42 -11.062  -1.642  14.153
  338    H    ASN  43           H        ASN  43 -11.553  -2.099  10.723
  339    HA   ASN  43           HA       ASN  43 -12.655  -4.324   9.278
  340   1HB   ASN  43          2HB       ASN  43 -14.764  -2.998   8.715
  341   2HB   ASN  43          1HB       ASN  43 -14.694  -3.721  10.318
  342   1HD2  ASN  43          1HD2      ASN  43 -14.002  -0.713   8.590
  343   2HD2  ASN  43          2HD2      ASN  43 -14.435   0.339   9.892
  344    H    LYS  44           H        LYS  44 -10.394  -3.100   8.721
  345    HA   LYS  44           HA       LYS  44 -11.002  -1.655   6.250
  346   1HB   LYS  44          2HB       LYS  44  -8.710  -0.691   7.905
  347   2HB   LYS  44          1HB       LYS  44  -9.650   0.170   6.694
  348   1HG   LYS  44          2HG       LYS  44 -11.389   0.610   8.176
  349   2HG   LYS  44          1HG       LYS  44 -10.888  -0.663   9.293
  350   1HD   LYS  44          2HD       LYS  44  -8.758   0.720   9.619
  351   2HD   LYS  44          1HD       LYS  44  -9.641   2.033   8.835
  352   1HE   LYS  44          2HE       LYS  44 -11.476   1.302  10.634
  353   2HE   LYS  44          1HE       LYS  44 -10.026   0.802  11.502
  354   1HZ   LYS  44          1HZ       LYS  44  -9.902   3.442  10.321
  355   2HZ   LYS  44          2HZ       LYS  44  -9.407   2.915  11.849
  356   3HZ   LYS  44          3HZ       LYS  44 -11.035   3.274  11.567
  357    H    TYR  45           H        TYR  45  -9.037  -1.465   4.844
  358    HA   TYR  45           HA       TYR  45  -7.616  -4.027   4.860
  359   1HB   TYR  45          2HB       TYR  45  -7.819  -1.880   2.731
  360   2HB   TYR  45          1HB       TYR  45  -6.988  -3.419   2.541
  361    HD1  TYR  45           1HD      TYR  45  -8.155  -5.309   1.805
  362    HD2  TYR  45           2HD      TYR  45 -10.328  -1.940   3.229
  363    HE1  TYR  45           1HE      TYR  45 -10.252  -6.350   1.051
  364    HE2  TYR  45           2HE      TYR  45 -12.430  -2.972   2.481
  365    HH   TYR  45           HH       TYR  45 -13.193  -4.644   0.871
  366    H    GLN  46           H        GLN  46  -5.325  -4.100   4.374
  367    HA   GLN  46           HA       GLN  46  -3.875  -1.876   5.623
  368   1HB   GLN  46          2HB       GLN  46  -3.685  -4.597   6.026
  369   2HB   GLN  46          1HB       GLN  46  -2.346  -4.287   4.929
  370   1HG   GLN  46          2HG       GLN  46  -1.731  -2.394   6.557
  371   2HG   GLN  46          1HG       GLN  46  -2.807  -3.219   7.683
  372   1HE2  GLN  46          1HE2      GLN  46  -0.144  -3.941   5.452
  373   2HE2  GLN  46          2HE2      GLN  46   0.652  -5.067   6.494
  374    H    VAL  47           H        VAL  47  -3.298  -0.404   4.173
  375    HA   VAL  47           HA       VAL  47  -2.466  -1.273   1.505
  376    HB   VAL  47           HB       VAL  47  -3.234   1.475   2.492
  377   1HG1  VAL  47          1HG1      VAL  47  -1.952   0.568   0.041
  378   2HG1  VAL  47          2HG1      VAL  47  -2.113   2.197   0.702
  379   3HG1  VAL  47          3HG1      VAL  47  -3.425   1.494  -0.245
  380   1HG2  VAL  47          1HG2      VAL  47  -4.982  -0.448   2.232
  381   2HG2  VAL  47          2HG2      VAL  47  -4.802  -0.109   0.510
  382   3HG2  VAL  47          3HG2      VAL  47  -5.334   1.164   1.609
  383    H    PHE  48           H        PHE  48  -0.576  -0.737   0.594
  384    HA   PHE  48           HA       PHE  48   1.518   0.323   2.372
  385   1HB   PHE  48          2HB       PHE  48   1.833  -1.982   1.450
  386   2HB   PHE  48          1HB       PHE  48   1.831  -1.296  -0.170
  387    HD1  PHE  48           1HD      PHE  48   3.908  -1.164  -1.112
  388    HD2  PHE  48           2HD      PHE  48   3.508  -0.505   3.073
  389    HE1  PHE  48           1HE      PHE  48   6.330  -0.765  -0.948
  390    HE2  PHE  48           2HE      PHE  48   5.929  -0.105   3.246
  391    HZ   PHE  48           HZ       PHE  48   7.343  -0.235   1.233
  392    H    PHE  49           H        PHE  49   2.206   2.317   1.962
  393    HA   PHE  49           HA       PHE  49   1.480   3.608  -0.555
  394   1HB   PHE  49          2HB       PHE  49   2.556   4.728   2.040
  395   2HB   PHE  49          1HB       PHE  49   2.198   5.700   0.615
  396    HD1  PHE  49           1HD      PHE  49  -0.209   5.550  -0.309
  397    HD2  PHE  49           2HD      PHE  49   0.908   4.318   3.604
  398    HE1  PHE  49           1HE      PHE  49  -2.552   5.727   0.410
  399    HE2  PHE  49           2HE      PHE  49  -1.430   4.491   4.329
  400    HZ   PHE  49           HZ       PHE  49  -3.168   5.193   2.734
  401    H    PHE  50           H        PHE  50   2.929   3.270  -2.143
  402    HA   PHE  50           HA       PHE  50   5.631   2.642  -1.827
  403   1HB   PHE  50          2HB       PHE  50   4.097   3.827  -4.141
  404   2HB   PHE  50          1HB       PHE  50   5.814   3.457  -4.251
  405    HD1  PHE  50           1HD      PHE  50   6.416   0.997  -3.410
  406    HD2  PHE  50           2HD      PHE  50   2.627   2.244  -4.895
  407    HE1  PHE  50           1HE      PHE  50   5.877  -1.334  -3.985
  408    HE2  PHE  50           2HE      PHE  50   2.081  -0.087  -5.467
  409    HZ   PHE  50           HZ       PHE  50   3.708  -1.878  -5.014
  410    H    GLY  51           H        GLY  51   7.374   4.122  -2.998
  411   1HA   GLY  51          2HA       GLY  51   8.626   6.055  -2.960
  412   2HA   GLY  51          1HA       GLY  51   7.140   6.938  -2.645
  413    H    THR  52           H        THR  52   6.268   6.451  -0.322
  414    HA   THR  52           HA       THR  52   8.423   7.171   1.503
  415    HB   THR  52           HB       THR  52   6.608   7.718   3.071
  416    HG1  THR  52           1HG      THR  52   4.871   6.897   0.986
  417   1HG2  THR  52          1HG2      THR  52   7.259   9.441   1.468
  418   2HG2  THR  52          2HG2      THR  52   5.544   9.527   1.871
  419   3HG2  THR  52          3HG2      THR  52   6.054   8.832   0.332
  420    H    HIS  53           H        HIS  53   6.394   4.490   0.725
  421    HA   HIS  53           HA       HIS  53   6.320   2.343   1.492
  422   1HB   HIS  53          2HB       HIS  53   8.894   3.326   2.634
  423   2HB   HIS  53          1HB       HIS  53   8.227   1.840   3.296
  424    HD1  HIS  53           1HD      HIS  53   9.835   0.187   2.314
  425    HD2  HIS  53           2HD      HIS  53   8.211   2.729  -0.543
  426    HE1  HIS  53           1HE      HIS  53  10.576  -0.736   0.097
  427    HE2  HIS  53           2HE      HIS  53   9.639   0.857  -1.616
  428    H    GLU  54           H        GLU  54   4.828   4.458   2.736
  429    HA   GLU  54           HA       GLU  54   4.817   3.829   5.581
  430   1HB   GLU  54          2HB       GLU  54   3.049   5.712   4.010
  431   2HB   GLU  54          1HB       GLU  54   3.140   5.598   5.761
  432   1HG   GLU  54          2HG       GLU  54   5.396   6.410   5.757
  433   2HG   GLU  54          1HG       GLU  54   5.455   6.366   3.995
  434    H    THR  55           H        THR  55   2.976   3.017   6.696
  435    HA   THR  55           HA       THR  55   1.076   1.593   4.962
  436    HB   THR  55           HB       THR  55   1.097   0.095   7.249
  437    HG1  THR  55           1HG      THR  55   3.106  -0.059   8.017
  438   1HG2  THR  55          1HG2      THR  55   3.084  -1.097   5.747
  439   2HG2  THR  55          2HG2      THR  55   2.121  -0.207   4.567
  440   3HG2  THR  55          3HG2      THR  55   1.348  -1.387   5.626
  441    H    ALA  56           H        ALA  56  -1.018   1.581   5.490
  442    HA   ALA  56           HA       ALA  56  -1.926   2.638   8.032
  443   1HB   ALA  56          1HB       ALA  56  -1.408   4.537   6.289
  444   2HB   ALA  56          2HB       ALA  56  -2.823   4.622   7.340
  445   3HB   ALA  56          3HB       ALA  56  -2.995   4.087   5.668
  446    H    PHE  57           H        PHE  57  -4.380   2.708   8.102
  447    HA   PHE  57           HA       PHE  57  -5.420   0.424   6.570
  448   1HB   PHE  57          2HB       PHE  57  -6.139   1.493   9.299
  449   2HB   PHE  57          1HB       PHE  57  -7.110   0.291   8.456
  450    HD1  PHE  57           1HD      PHE  57  -3.545   0.875   9.390
  451    HD2  PHE  57           2HD      PHE  57  -6.736  -1.909   8.966
  452    HE1  PHE  57           1HE      PHE  57  -2.102  -0.909  10.280
  453    HE2  PHE  57           2HE      PHE  57  -5.299  -3.697   9.856
  454    HZ   PHE  57           HZ       PHE  57  -2.980  -3.199  10.515
  455    H    LEU  58           H        LEU  58  -6.982   0.783   5.134
  456    HA   LEU  58           HA       LEU  58  -8.770   3.069   5.513
  457   1HB   LEU  58          2HB       LEU  58  -7.213   2.469   3.001
  458   2HB   LEU  58          1HB       LEU  58  -8.571   3.577   3.066
  459    HG   LEU  58           HG       LEU  58  -6.215   3.994   4.869
  460   1HD1  LEU  58          1HD1      LEU  58  -6.416   5.067   2.064
  461   2HD1  LEU  58          2HD1      LEU  58  -5.396   3.706   2.529
  462   3HD1  LEU  58          3HD1      LEU  58  -5.102   5.304   3.215
  463   1HD2  LEU  58          1HD2      LEU  58  -7.899   6.074   3.530
  464   2HD2  LEU  58          2HD2      LEU  58  -6.989   6.173   5.037
  465   3HD2  LEU  58          3HD2      LEU  58  -8.482   5.237   4.969
  466    H    GLY  59           H        GLY  59 -10.720   2.952   4.155
  467   1HA   GLY  59          2HA       GLY  59 -11.604   0.176   3.945
  468   2HA   GLY  59          1HA       GLY  59 -12.635   1.600   3.930
  469    HA   PRO  60           HA       PRO  60 -12.019  -0.102  -0.430
  470   1HB   PRO  60          2HB       PRO  60 -14.662  -0.480  -0.971
  471   2HB   PRO  60          1HB       PRO  60 -13.628  -1.730  -0.268
  472   1HG   PRO  60          2HG       PRO  60 -15.555   0.116   1.087
  473   2HG   PRO  60          1HG       PRO  60 -15.283  -1.614   1.360
  474   1HD   PRO  60          2HD       PRO  60 -14.250   0.281   2.984
  475   2HD   PRO  60          1HD       PRO  60 -13.402  -1.242   2.649
  476    H    LYS  61           H        LYS  61 -14.160   2.236   1.072
  477    HA   LYS  61           HA       LYS  61 -14.871   3.615  -1.308
  478   1HB   LYS  61          2HB       LYS  61 -14.785   4.805   1.460
  479   2HB   LYS  61          1HB       LYS  61 -15.817   5.270   0.114
  480   1HG   LYS  61          2HG       LYS  61 -16.262   2.516   0.709
  481   2HG   LYS  61          1HG       LYS  61 -16.372   3.457   2.199
  482   1HD   LYS  61          2HD       LYS  61 -17.962   4.981   1.084
  483   2HD   LYS  61          1HD       LYS  61 -17.886   3.971  -0.362
  484   1HE   LYS  61          2HE       LYS  61 -18.615   2.048   1.134
  485   2HE   LYS  61          1HE       LYS  61 -18.989   3.273   2.346
  486   1HZ   LYS  61          1HZ       LYS  61 -20.439   4.334   0.640
  487   2HZ   LYS  61          2HZ       LYS  61 -20.967   2.810   1.149
  488   3HZ   LYS  61          3HZ       LYS  61 -20.197   2.981  -0.347
  489    H    ASP  62           H        ASP  62 -12.068   3.615   0.698
  490    HA   ASP  62           HA       ASP  62 -11.120   6.142  -0.440
  491   1HB   ASP  62          2HB       ASP  62 -10.387   4.507   1.940
  492   2HB   ASP  62          1HB       ASP  62  -9.129   5.494   1.203
  493    H    LEU  63           H        LEU  63 -11.136   3.052  -1.425
  494    HA   LEU  63           HA       LEU  63  -8.419   3.209  -2.549
  495   1HB   LEU  63          2HB       LEU  63 -10.115   0.743  -2.143
  496   2HB   LEU  63          1HB       LEU  63  -8.478   0.782  -2.772
  497    HG   LEU  63           HG       LEU  63  -9.111   1.794  -0.014
  498   1HD1  LEU  63          1HD1      LEU  63  -9.928  -0.550  -0.284
  499   2HD1  LEU  63          2HD1      LEU  63  -8.637  -0.358   0.902
  500   3HD1  LEU  63          3HD1      LEU  63  -8.277  -1.019  -0.693
  501   1HD2  LEU  63          1HD2      LEU  63  -6.576   0.543  -1.011
  502   2HD2  LEU  63          2HD2      LEU  63  -6.818   1.610   0.372
  503   3HD2  LEU  63          3HD2      LEU  63  -6.920   2.254  -1.267
  504    H    PHE  64           H        PHE  64  -8.148   3.045  -4.731
  505    HA   PHE  64           HA       PHE  64 -10.518   2.546  -6.394
  506   1HB   PHE  64          2HB       PHE  64  -8.590   4.822  -6.901
  507   2HB   PHE  64          1HB       PHE  64 -10.073   4.466  -7.780
  508    HD1  PHE  64           1HD      PHE  64  -8.959   5.171  -4.286
  509    HD2  PHE  64           2HD      PHE  64 -11.923   5.725  -7.290
  510    HE1  PHE  64           1HE      PHE  64 -10.208   6.655  -2.774
  511    HE2  PHE  64           2HE      PHE  64 -13.177   7.213  -5.783
  512    HZ   PHE  64           HZ       PHE  64 -12.319   7.680  -3.521
  513    HA   PRO  65           HA       PRO  65  -7.795   0.255  -8.998
  514   1HB   PRO  65          2HB       PRO  65  -8.870   1.357 -11.462
  515   2HB   PRO  65          1HB       PRO  65  -9.126  -0.239 -10.760
  516   1HG   PRO  65          2HG       PRO  65 -11.079   1.651 -10.919
  517   2HG   PRO  65          1HG       PRO  65 -11.028   0.405  -9.660
  518   1HD   PRO  65          2HD       PRO  65 -10.218   3.284  -9.516
  519   2HD   PRO  65          1HD       PRO  65 -11.065   2.288  -8.313
  520    H    TYR  66           H        TYR  66  -5.704   0.861  -8.988
  521    HA   TYR  66           HA       TYR  66  -4.617   3.327  -9.519
  522   1HB   TYR  66          2HB       TYR  66  -3.316   1.555  -8.500
  523   2HB   TYR  66          1HB       TYR  66  -3.387   0.602  -9.978
  524    HD1  TYR  66           1HD      TYR  66  -1.825   0.945 -11.723
  525    HD2  TYR  66           2HD      TYR  66  -2.021   3.707  -8.494
  526    HE1  TYR  66           1HE      TYR  66   0.245   2.006 -12.516
  527    HE2  TYR  66           2HE      TYR  66   0.051   4.776  -9.275
  528    HH   TYR  66           HH       TYR  66   1.903   4.440 -10.640
  529    H    GLU  67           H        GLU  67  -4.695   0.599 -11.813
  530    HA   GLU  67           HA       GLU  67  -3.634   1.830 -14.026
  531   1HB   GLU  67          2HB       GLU  67  -5.384  -0.467 -13.546
  532   2HB   GLU  67          1HB       GLU  67  -5.584   0.241 -15.142
  533   1HG   GLU  67          2HG       GLU  67  -3.660  -0.594 -15.864
  534   2HG   GLU  67          1HG       GLU  67  -2.794  -0.057 -14.426
  535    H    GLU  68           H        GLU  68  -6.964   1.923 -12.908
  536    HA   GLU  68           HA       GLU  68  -7.987   3.363 -15.121
  537   1HB   GLU  68          2HB       GLU  68  -9.115   3.042 -12.342
  538   2HB   GLU  68          1HB       GLU  68  -9.992   3.673 -13.728
  539   1HG   GLU  68          2HG       GLU  68  -8.743   1.001 -13.998
  540   2HG   GLU  68          1HG       GLU  68 -10.168   1.145 -12.969
  541    H    SER  69           H        SER  69  -6.791   4.380 -11.944
  542    HA   SER  69           HA       SER  69  -7.364   7.158 -12.700
  543   1HB   SER  69          2HB       SER  69  -6.478   6.222  -9.981
  544   2HB   SER  69          1HB       SER  69  -7.293   7.727 -10.406
  545    HG   SER  69           HG       SER  69  -8.748   6.230  -9.502
  546    H    LYS  70           H        LYS  70  -4.881   5.333 -13.399
  547    HA   LYS  70           HA       LYS  70  -2.623   6.424 -12.175
  548   1HB   LYS  70          2HB       LYS  70  -2.795   5.614 -15.078
  549   2HB   LYS  70          1HB       LYS  70  -1.343   5.713 -14.092
  550   1HG   LYS  70          2HG       LYS  70  -2.407   3.936 -12.626
  551   2HG   LYS  70          1HG       LYS  70  -3.565   3.723 -13.938
  552   1HD   LYS  70          2HD       LYS  70  -0.652   3.687 -14.567
  553   2HD   LYS  70          1HD       LYS  70  -1.382   2.265 -13.821
  554   1HE   LYS  70          2HE       LYS  70  -2.065   1.628 -15.835
  555   2HE   LYS  70          1HE       LYS  70  -3.134   3.028 -15.867
  556   1HZ   LYS  70          1HZ       LYS  70  -1.018   2.525 -17.551
  557   2HZ   LYS  70          2HZ       LYS  70  -0.472   3.763 -16.538
  558   3HZ   LYS  70          3HZ       LYS  70  -1.895   3.967 -17.429
  559    H    GLU  71           H        GLU  71  -4.368   7.564 -15.042
  560    HA   GLU  71           HA       GLU  71  -2.608   9.681 -15.634
  561   1HB   GLU  71          2HB       GLU  71  -5.522   9.341 -16.343
  562   2HB   GLU  71          1HB       GLU  71  -4.443  10.531 -17.059
  563   1HG   GLU  71          2HG       GLU  71  -3.152   8.869 -18.120
  564   2HG   GLU  71          1HG       GLU  71  -3.893   7.583 -17.170
  565    H    LYS  72           H        LYS  72  -5.574   9.587 -13.690
  566    HA   LYS  72           HA       LYS  72  -5.495  12.434 -13.225
  567   1HB   LYS  72          2HB       LYS  72  -7.176  10.428 -11.736
  568   2HB   LYS  72          1HB       LYS  72  -7.487  12.142 -11.967
  569   1HG   LYS  72          2HG       LYS  72  -8.693  11.691 -13.757
  570   2HG   LYS  72          1HG       LYS  72  -7.290  10.948 -14.529
  571   1HD   LYS  72          2HD       LYS  72  -8.102   8.886 -14.223
  572   2HD   LYS  72          1HD       LYS  72  -8.494   9.211 -12.533
  573   1HE   LYS  72          2HE       LYS  72 -10.627   9.050 -13.190
  574   2HE   LYS  72          1HE       LYS  72 -10.394  10.667 -13.852
  575   1HZ   LYS  72          1HZ       LYS  72 -11.362   9.072 -15.445
  576   2HZ   LYS  72          2HZ       LYS  72  -9.940   8.160 -15.376
  577   3HZ   LYS  72          3HZ       LYS  72  -9.902   9.736 -15.985
  578    H    PHE  73           H        PHE  73  -4.877   9.514 -11.303
  579    HA   PHE  73           HA       PHE  73  -4.043  11.161  -9.045
  580   1HB   PHE  73          2HB       PHE  73  -4.232   8.153  -9.253
  581   2HB   PHE  73          1HB       PHE  73  -4.010   9.086  -7.779
  582    HD1  PHE  73           1HD      PHE  73  -6.104   7.214  -7.711
  583    HD2  PHE  73           2HD      PHE  73  -6.157  11.115  -9.411
  584    HE1  PHE  73           1HE      PHE  73  -8.545   7.303  -7.427
  585    HE2  PHE  73           2HE      PHE  73  -8.596  11.209  -9.134
  586    HZ   PHE  73           HZ       PHE  73  -9.794   9.303  -8.137
  587    H    GLY  74           H        GLY  74  -2.569   9.398 -11.623
  588   1HA   GLY  74          2HA       GLY  74  -0.066   9.044 -10.196
  589   2HA   GLY  74          1HA       GLY  74  -0.388   8.596 -11.862
  590    H    LYS  75           H        LYS  75   0.113  11.428  -9.766
  591    HA   LYS  75           HA       LYS  75   1.821  12.594 -11.801
  592   1HB   LYS  75          2HB       LYS  75  -0.718  13.884 -10.811
  593   2HB   LYS  75          1HB       LYS  75   0.604  14.824 -11.492
  594   1HG   LYS  75          2HG       LYS  75   0.214  12.862 -13.375
  595   2HG   LYS  75          1HG       LYS  75  -1.422  13.211 -12.816
  596   1HD   LYS  75          2HD       LYS  75  -1.269  15.472 -13.432
  597   2HD   LYS  75          1HD       LYS  75   0.489  15.402 -13.571
  598   1HE   LYS  75          2HE       LYS  75  -0.227  13.532 -15.385
  599   2HE   LYS  75          1HE       LYS  75  -1.602  14.630 -15.498
  600   1HZ   LYS  75          1HZ       LYS  75   1.137  15.704 -15.573
  601   2HZ   LYS  75          2HZ       LYS  75  -0.281  16.348 -16.231
  602   3HZ   LYS  75          3HZ       LYS  75   0.466  15.022 -16.969
  603    HA   PRO  76           HA       PRO  76   4.327  13.859  -8.420
  604   1HB   PRO  76          2HB       PRO  76   4.753  16.545  -9.094
  605   2HB   PRO  76          1HB       PRO  76   5.730  15.172  -9.618
  606   1HG   PRO  76          2HG       PRO  76   3.543  16.603 -11.052
  607   2HG   PRO  76          1HG       PRO  76   5.035  15.895 -11.696
  608   1HD   PRO  76          2HD       PRO  76   2.674  14.679 -12.017
  609   2HD   PRO  76          1HD       PRO  76   4.153  13.744 -11.711
  610    H    ASN  77           H        ASN  77   4.325  15.047  -6.487
  611    HA   ASN  77           HA       ASN  77   1.969  16.744  -6.006
  612   1HB   ASN  77          2HB       ASN  77   1.609  14.335  -5.267
  613   2HB   ASN  77          1HB       ASN  77   2.847  14.624  -4.048
  614   1HD2  ASN  77          1HD2      ASN  77   1.427  14.324  -2.355
  615   2HD2  ASN  77          2HD2      ASN  77   0.206  15.477  -1.951
  616    H    LYS  78           H        LYS  78   2.097  17.916  -3.905
  617    HA   LYS  78           HA       LYS  78   4.736  19.073  -3.640
  618   1HB   LYS  78          2HB       LYS  78   1.980  19.861  -2.997
  619   2HB   LYS  78          1HB       LYS  78   3.168  20.371  -1.805
  620   1HG   LYS  78          2HG       LYS  78   3.678  20.872  -4.701
  621   2HG   LYS  78          1HG       LYS  78   2.575  21.919  -3.804
  622   1HD   LYS  78          2HD       LYS  78   4.426  22.198  -2.105
  623   2HD   LYS  78          1HD       LYS  78   5.491  21.402  -3.265
  624   1HE   LYS  78          2HE       LYS  78   5.324  23.146  -4.799
  625   2HE   LYS  78          1HE       LYS  78   3.846  23.772  -4.070
  626   1HZ   LYS  78          1HZ       LYS  78   6.504  23.831  -2.750
  627   2HZ   LYS  78          2HZ       LYS  78   5.082  24.570  -2.208
  628   3HZ   LYS  78          3HZ       LYS  78   5.842  25.129  -3.611
  629    H    ARG  79           H        ARG  79   2.894  16.685  -2.042
  630    HA   ARG  79           HA       ARG  79   3.844  17.036   0.598
  631   1HB   ARG  79          2HB       ARG  79   2.707  14.678  -0.887
  632   2HB   ARG  79          1HB       ARG  79   3.258  14.538   0.776
  633   1HG   ARG  79          2HG       ARG  79   1.055  16.304  -0.263
  634   2HG   ARG  79          1HG       ARG  79   0.891  14.881   0.767
  635   1HD   ARG  79          2HD       ARG  79   0.995  16.242   2.522
  636   2HD   ARG  79          1HD       ARG  79   2.680  16.536   2.109
  637    HE   ARG  79           HE       ARG  79   0.495  18.188   1.024
  638   1HH1  ARG  79          1HH1      ARG  79   3.599  17.904   2.614
  639   2HH1  ARG  79          2HH1      ARG  79   3.890  19.608   2.608
  640   1HH2  ARG  79          1HH2      ARG  79   0.886  20.423   1.026
  641   2HH2  ARG  79          2HH2      ARG  79   2.353  21.038   1.711
  642    H    LYS  80           H        LYS  80   5.371  16.057  -2.233
  643    HA   LYS  80           HA       LYS  80   7.433  15.277  -2.713
  644   1HB   LYS  80          2HB       LYS  80   7.880  15.962   0.192
  645   2HB   LYS  80          1HB       LYS  80   9.160  15.372  -0.861
  646   1HG   LYS  80          2HG       LYS  80   7.688  17.974  -0.961
  647   2HG   LYS  80          1HG       LYS  80   9.426  17.674  -0.923
  648   1HD   LYS  80          2HD       LYS  80   9.213  16.666  -3.212
  649   2HD   LYS  80          1HD       LYS  80   7.536  17.219  -3.235
  650   1HE   LYS  80          2HE       LYS  80   8.133  19.439  -3.362
  651   2HE   LYS  80          1HE       LYS  80   9.704  19.172  -2.606
  652   1HZ   LYS  80          1HZ       LYS  80   9.535  19.637  -5.141
  653   2HZ   LYS  80          2HZ       LYS  80   9.162  17.992  -5.242
  654   3HZ   LYS  80          3HZ       LYS  80  10.632  18.484  -4.569
  655    H    GLY  81           H        GLY  81   8.448  13.334  -2.861
  656   1HA   GLY  81          2HA       GLY  81   8.967  11.120  -2.242
  657   2HA   GLY  81          1HA       GLY  81   7.860  11.267  -0.882
  658    H    PHE  82           H        PHE  82   5.914  12.493  -2.977
  659    HA   PHE  82           HA       PHE  82   4.308  10.242  -3.355
  660   1HB   PHE  82          2HB       PHE  82   3.513  12.585  -3.398
  661   2HB   PHE  82          1HB       PHE  82   4.329  12.821  -4.939
  662    HD1  PHE  82           1HD      PHE  82   3.581  11.475  -6.919
  663    HD2  PHE  82           2HD      PHE  82   1.376  11.655  -3.287
  664    HE1  PHE  82           1HE      PHE  82   1.580  10.679  -8.102
  665    HE2  PHE  82           2HE      PHE  82  -0.631  10.858  -4.459
  666    HZ   PHE  82           HZ       PHE  82  -0.533  10.366  -6.871
  667    H    SER  83           H        SER  83   6.207  12.035  -5.781
  668    HA   SER  83           HA       SER  83   5.774  10.382  -7.951
  669   1HB   SER  83          2HB       SER  83   8.506  11.522  -7.612
  670   2HB   SER  83          1HB       SER  83   7.441  11.546  -9.018
  671    HG   SER  83           HG       SER  83   7.682  13.606  -7.962
  672    H    GLU  84           H        GLU  84   8.312  10.126  -5.476
  673    HA   GLU  84           HA       GLU  84   9.806   8.052  -6.482
  674   1HB   GLU  84          2HB       GLU  84  10.204   9.329  -4.340
  675   2HB   GLU  84          1HB       GLU  84   9.006   8.291  -3.580
  676   1HG   GLU  84          2HG       GLU  84  10.622   6.858  -3.121
  677   2HG   GLU  84          1HG       GLU  84  10.795   6.562  -4.850
  678    H    GLY  85           H        GLY  85   6.600   7.966  -5.100
  679   1HA   GLY  85          2HA       GLY  85   6.508   5.126  -4.769
  680   2HA   GLY  85          1HA       GLY  85   5.140   6.226  -4.712
  681    H    LEU  86           H        LEU  86   5.715   7.360  -7.347
  682    HA   LEU  86           HA       LEU  86   4.138   5.654  -8.922
  683   1HB   LEU  86          2HB       LEU  86   5.771   8.090  -9.421
  684   2HB   LEU  86          1HB       LEU  86   5.293   7.140 -10.815
  685    HG   LEU  86           HG       LEU  86   3.382   8.292  -8.782
  686   1HD1  LEU  86          1HD1      LEU  86   3.497   9.240 -11.590
  687   2HD1  LEU  86          2HD1      LEU  86   4.744   9.804 -10.477
  688   3HD1  LEU  86          3HD1      LEU  86   3.044  10.101 -10.118
  689   1HD2  LEU  86          1HD2      LEU  86   2.311   7.567 -11.373
  690   2HD2  LEU  86          2HD2      LEU  86   1.760   7.120  -9.758
  691   3HD2  LEU  86          3HD2      LEU  86   3.025   6.180 -10.548
  692    H    TRP  87           H        TRP  87   7.634   6.157  -8.804
  693    HA   TRP  87           HA       TRP  87   8.317   4.466 -10.956
  694   1HB   TRP  87          2HB       TRP  87   9.906   6.076 -10.074
  695   2HB   TRP  87          1HB       TRP  87   9.897   5.283  -8.501
  696    HD1  TRP  87           HD       TRP  87  11.486   5.108 -11.920
  697    HE1  TRP  87           1HE      TRP  87  13.266   3.252 -11.945
  698    HE3  TRP  87           3HE      TRP  87  10.440   2.920  -7.416
  699    HZ2  TRP  87           2HZ      TRP  87  14.111   1.134 -10.278
  700    HZ3  TRP  87           3HZ      TRP  87  11.782   0.985  -6.707
  701    HH2  TRP  87           HH       TRP  87  13.578   0.110  -8.110
  702    H    GLU  88           H        GLU  88   8.096   3.831  -7.447
  703    HA   GLU  88           HA       GLU  88   9.003   1.177  -7.543
  704   1HB   GLU  88          2HB       GLU  88   7.283   2.679  -5.586
  705   2HB   GLU  88          1HB       GLU  88   7.684   0.984  -5.347
  706   1HG   GLU  88          2HG       GLU  88  10.053   1.531  -5.337
  707   2HG   GLU  88          1HG       GLU  88   9.671   3.229  -5.617
  708    H    ILE  89           H        ILE  89   5.644   2.412  -7.501
  709    HA   ILE  89           HA       ILE  89   4.331  -0.013  -7.511
  710    HB   ILE  89           HB       ILE  89   3.296   2.261  -7.299
  711   1HG1  ILE  89          2HG1      ILE  89   1.533   1.107  -9.285
  712   2HG1  ILE  89          1HG1      ILE  89   2.229  -0.141  -8.252
  713   1HG2  ILE  89          1HG2      ILE  89   4.298   2.566  -9.921
  714   2HG2  ILE  89          2HG2      ILE  89   3.406   3.729  -8.944
  715   3HG2  ILE  89          3HG2      ILE  89   2.539   2.628 -10.013
  716   1HD1  ILE  89          1HD1      ILE  89   1.505   1.843  -6.485
  717   2HD1  ILE  89          2HD1      ILE  89   0.621   0.352  -6.808
  718   3HD1  ILE  89          3HD1      ILE  89   0.198   1.832  -7.668
  719    H    GLU  90           H        GLU  90   6.051   1.533 -10.103
  720    HA   GLU  90           HA       GLU  90   4.973  -0.358 -12.059
  721   1HB   GLU  90          2HB       GLU  90   6.306   2.283 -12.213
  722   2HB   GLU  90          1HB       GLU  90   6.623   1.164 -13.531
  723   1HG   GLU  90          2HG       GLU  90   4.085   0.901 -13.672
  724   2HG   GLU  90          1HG       GLU  90   4.013   2.347 -12.668
  725    H    ASN  91           H        ASN  91   8.110   0.696 -10.748
  726    HA   ASN  91           HA       ASN  91   9.552  -1.269 -12.269
  727   1HB   ASN  91          2HB       ASN  91  10.218   0.968 -10.507
  728   2HB   ASN  91          1HB       ASN  91  11.293  -0.411 -10.311
  729   1HD2  ASN  91          1HD2      ASN  91   9.691   1.289 -12.987
  730   2HD2  ASN  91          2HD2      ASN  91  11.098   1.392 -13.984
  731    H    ASN  92           H        ASN  92   8.256  -1.058  -9.021
  732    HA   ASN  92           HA       ASN  92   8.701  -3.885  -8.665
  733   1HB   ASN  92          2HB       ASN  92  10.596  -2.042  -7.633
  734   2HB   ASN  92          1HB       ASN  92   9.690  -2.676  -6.264
  735   1HD2  ASN  92          1HD2      ASN  92  11.955  -3.473  -5.862
  736   2HD2  ASN  92          2HD2      ASN  92  12.348  -5.036  -6.483
  737    HA   PRO  93           HA       PRO  93   4.825  -2.394  -6.698
  738   1HB   PRO  93          2HB       PRO  93   3.712  -4.912  -7.656
  739   2HB   PRO  93          1HB       PRO  93   3.226  -3.262  -8.047
  740   1HG   PRO  93          2HG       PRO  93   4.425  -4.902  -9.841
  741   2HG   PRO  93          1HG       PRO  93   4.624  -3.140  -9.865
  742   1HD   PRO  93          2HD       PRO  93   6.475  -5.244  -8.798
  743   2HD   PRO  93          1HD       PRO  93   6.852  -3.781  -9.737
  744    H    THR  94           H        THR  94   6.809  -5.165  -6.321
  745    HA   THR  94           HA       THR  94   5.325  -5.986  -3.922
  746    HB   THR  94           HB       THR  94   6.347  -8.123  -4.096
  747    HG1  THR  94           1HG      THR  94   8.442  -7.558  -4.608
  748   1HG2  THR  94          1HG2      THR  94   4.652  -8.191  -5.662
  749   2HG2  THR  94          2HG2      THR  94   6.060  -8.716  -6.585
  750   3HG2  THR  94          3HG2      THR  94   5.466  -7.063  -6.744
  751    H    VAL  95           H        VAL  95   7.478  -3.776  -4.413
  752    HA   VAL  95           HA       VAL  95   9.777  -4.479  -2.972
  753    HB   VAL  95           HB       VAL  95   9.636  -2.483  -4.404
  754   1HG1  VAL  95          1HG1      VAL  95   8.602  -0.517  -2.733
  755   2HG1  VAL  95          2HG1      VAL  95   7.442  -1.841  -2.637
  756   3HG1  VAL  95          3HG1      VAL  95   7.865  -1.153  -4.203
  757   1HG2  VAL  95          1HG2      VAL  95  11.175  -2.809  -2.275
  758   2HG2  VAL  95          2HG2      VAL  95  10.297  -1.381  -1.730
  759   3HG2  VAL  95          3HG2      VAL  95  11.215  -1.329  -3.234
  760    H    LYS  96           H        LYS  96  10.428  -3.999  -0.859
  761    HA   LYS  96           HA       LYS  96   8.490  -3.078   1.084
  762   1HB   LYS  96          2HB       LYS  96   8.694  -5.093   2.500
  763   2HB   LYS  96          1HB       LYS  96   7.907  -5.432   0.965
  764   1HG   LYS  96          2HG       LYS  96  10.128  -6.239   0.119
  765   2HG   LYS  96          1HG       LYS  96  10.722  -6.103   1.775
  766   1HD   LYS  96          2HD       LYS  96   8.353  -7.513   2.034
  767   2HD   LYS  96          1HD       LYS  96   9.067  -8.155   0.552
  768   1HE   LYS  96          2HE       LYS  96  10.831  -7.811   2.918
  769   2HE   LYS  96          1HE       LYS  96   9.665  -9.133   2.943
  770   1HZ   LYS  96          1HZ       LYS  96  11.613  -8.679   0.751
  771   2HZ   LYS  96          2HZ       LYS  96  10.600 -10.018   0.950
  772   3HZ   LYS  96          3HZ       LYS  96  11.867  -9.749   2.037
  773    H    ALA  97           H        ALA  97   9.540  -1.791   2.436
  774    HA   ALA  97           HA       ALA  97  11.169  -0.850   3.714
  775   1HB   ALA  97          1HB       ALA  97  13.141  -2.520   4.276
  776   2HB   ALA  97          2HB       ALA  97  11.984  -3.707   3.676
  777   3HB   ALA  97          3HB       ALA  97  11.558  -2.668   5.035
  778    H    SER  98           H        SER  98  13.234  -3.063   1.852
  779    HA   SER  98           HA       SER  98  14.268  -0.795   0.319
  780   1HB   SER  98          2HB       SER  98  15.767  -2.391   2.320
  781   2HB   SER  98          1HB       SER  98  16.599  -2.067   0.800
  782    HG   SER  98           HG       SER  98  17.064  -0.320   1.979
  783    H    GLY  99           H        GLY  99  15.991  -1.704  -1.313
  784   1HA   GLY  99          2HA       GLY  99  14.661  -3.396  -3.087
  785   2HA   GLY  99          1HA       GLY  99  16.374  -3.012  -3.159
  786    H    TYR 100           H        TYR 100  17.864  -4.486  -2.454
  787    HA   TYR 100           HA       TYR 100  18.727  -6.523  -1.926
  788   1HB   TYR 100          2HB       TYR 100  16.685  -5.992   0.042
  789   2HB   TYR 100          1HB       TYR 100  16.775  -7.719  -0.283
  790    HD1  TYR 100           1HD      TYR 100  18.829  -8.966   0.191
  791    HD2  TYR 100           2HD      TYR 100  18.485  -4.833   1.129
  792    HE1  TYR 100           1HE      TYR 100  20.795  -9.141   1.653
  793    HE2  TYR 100           2HE      TYR 100  20.449  -4.995   2.594
  794    HH   TYR 100           HH       TYR 100  21.592  -6.960   3.936
  795    H    GLN 101           H        GLN 101  17.769  -9.009  -1.574
  796    HA   GLN 101           HA       GLN 101  15.682  -9.643  -3.446
  797   1HB   GLN 101          2HB       GLN 101  17.133 -10.995  -4.940
  798   2HB   GLN 101          1HB       GLN 101  17.458  -9.271  -5.040
  799   1HG   GLN 101          2HG       GLN 101  19.389  -9.576  -3.543
  800   2HG   GLN 101          1HG       GLN 101  19.081 -11.312  -3.537
  801   1HE2  GLN 101          1HE2      GLN 101  21.264 -11.467  -4.355
  802   2HE2  GLN 101          2HE2      GLN 101  21.556 -11.267  -6.045
  803    H    SER 102           H        SER 102  18.485 -10.874  -1.652
  804    HA   SER 102           HA       SER 102  16.780 -12.953  -0.512
  805   1HB   SER 102          2HB       SER 102  17.787 -14.128  -2.351
  806   2HB   SER 102          1HB       SER 102  19.382 -13.487  -1.957
  807    HG   SER 102           HG       SER 102  18.503 -15.744  -1.183
  808    H    SER 103           H        SER 103  17.357 -13.589   1.544
  809    HA   SER 103           HA       SER 103  19.532 -12.033   2.775
  810   1HB   SER 103          2HB       SER 103  16.792 -12.407   3.521
  811   2HB   SER 103          1HB       SER 103  17.818 -13.099   4.777
  812    HG   SER 103           HG       SER 103  17.247 -10.700   4.760
  813    H    GLN 104           H        GLN 104  20.533 -13.097   4.718
  814    HA   GLN 104           HA       GLN 104  20.462 -15.969   4.846
  815   1HB   GLN 104          2HB       GLN 104  22.108 -14.999   2.914
  816   2HB   GLN 104          1HB       GLN 104  23.206 -15.036   4.287
  817   1HG   GLN 104          2HG       GLN 104  21.725 -17.481   4.178
  818   2HG   GLN 104          1HG       GLN 104  22.458 -17.155   2.608
  819   1HE2  GLN 104          1HE2      GLN 104  23.063 -19.197   4.638
  820   2HE2  GLN 104          2HE2      GLN 104  24.739 -19.004   5.007
  821    H    LYS 105           H        LYS 105  20.128 -13.632   6.601
  822    HA   LYS 105           HA       LYS 105  20.604 -13.016   8.738
  823   1HB   LYS 105          2HB       LYS 105  20.588 -15.634   8.862
  824   2HB   LYS 105          1HB       LYS 105  22.322 -15.444   9.087
  825   1HG   LYS 105          2HG       LYS 105  22.082 -14.803  11.203
  826   2HG   LYS 105          1HG       LYS 105  20.783 -13.679  10.803
  827   1HD   LYS 105          2HD       LYS 105  19.217 -15.109  11.499
  828   2HD   LYS 105          1HD       LYS 105  19.921 -16.435  10.573
  829   1HE   LYS 105          2HE       LYS 105  21.722 -16.258  12.557
  830   2HE   LYS 105          1HE       LYS 105  20.286 -15.691  13.408
  831   1HZ   LYS 105          1HZ       LYS 105  20.437 -18.237  11.889
  832   2HZ   LYS 105          2HZ       LYS 105  19.150 -17.709  12.850
  833   3HZ   LYS 105          3HZ       LYS 105  20.628 -18.112  13.565
  834    H    LYS 106           H        LYS 106  21.882 -11.312   8.985
  835    HA   LYS 106           HA       LYS 106  24.741 -11.581   8.337
  836   1HB   LYS 106          2HB       LYS 106  23.027  -9.096   8.512
  837   2HB   LYS 106          1HB       LYS 106  24.746  -9.116   8.143
  838   1HG   LYS 106          2HG       LYS 106  24.054  -9.101   6.016
  839   2HG   LYS 106          1HG       LYS 106  23.802 -10.829   6.270
  840   1HD   LYS 106          2HD       LYS 106  21.828  -9.860   5.262
  841   2HD   LYS 106          1HD       LYS 106  21.464 -10.359   6.915
  842   1HE   LYS 106          2HE       LYS 106  20.588  -8.087   6.180
  843   2HE   LYS 106          1HE       LYS 106  21.476  -8.146   7.702
  844   1HZ   LYS 106          1HZ       LYS 106  22.970  -7.565   5.251
  845   2HZ   LYS 106          2HZ       LYS 106  23.233  -7.015   6.829
  846   3HZ   LYS 106          3HZ       LYS 106  21.994  -6.342   5.894
  847    H    SER 107           H        SER 107  25.177 -12.550  10.400
  848    HA   SER 107           HA       SER 107  25.829 -10.592  12.401
  849   1HB   SER 107          2HB       SER 107  23.331 -11.588  12.686
  850   2HB   SER 107          1HB       SER 107  24.247 -12.804  13.577
  851    HG   SER 107           HG       SER 107  23.507 -10.928  14.812
  852    H    CYS 108           H        CYS 108  27.204 -12.511  10.708
  853    HA   CYS 108           HA       CYS 108  28.794 -13.782  12.774
  854   1HB   CYS 108          2HB       CYS 108  27.097 -15.490  12.211
  855   2HB   CYS 108          1HB       CYS 108  27.592 -15.409  10.524
  856    HG   CYS 108           HG       CYS 108  29.022 -16.935  12.731
  857    H    ALA 109           H        ALA 109  30.913 -14.181  12.156
  858    HA   ALA 109           HA       ALA 109  31.738 -12.806   9.720
  859   1HB   ALA 109          1HB       ALA 109  33.913 -13.845  11.313
  860   2HB   ALA 109          2HB       ALA 109  32.780 -12.921  12.298
  861   3HB   ALA 109          3HB       ALA 109  33.526 -12.178  10.884
  862    H    GLU 110           H        GLU 110  31.161 -14.349   8.156
  863    HA   GLU 110           HA       GLU 110  33.101 -16.507   7.884
  864   1HB   GLU 110          2HB       GLU 110  31.270 -18.100   7.224
  865   2HB   GLU 110          1HB       GLU 110  31.317 -17.691   8.934
  866   1HG   GLU 110          2HG       GLU 110  29.076 -17.550   8.495
  867   2HG   GLU 110          1HG       GLU 110  29.577 -15.876   8.265
  Start of MODEL   13
    1   1H    MET   1          1HT       MET   1 -23.994  -2.883  -5.475
    2   2H    MET   1          2HT       MET   1 -25.503  -2.862  -6.292
    3   3H    MET   1          3HT       MET   1 -24.039  -2.925  -7.188
    4    HA   MET   1           HA       MET   1 -23.595  -5.055  -5.964
    5   1HB   MET   1          2HB       MET   1 -26.128  -4.247  -4.882
    6   2HB   MET   1          1HB       MET   1 -26.328  -5.776  -5.726
    7   1HG   MET   1          2HG       MET   1 -25.000  -6.917  -4.274
    8   2HG   MET   1          1HG       MET   1 -24.022  -5.503  -3.882
    9   1HE   MET   1          1HE       MET   1 -24.277  -4.573  -1.259
   10   2HE   MET   1          2HE       MET   1 -25.800  -3.689  -1.161
   11   3HE   MET   1          3HE       MET   1 -24.796  -3.557  -2.605
   12    H    SER   2           H        SER   2 -23.089  -6.115  -7.760
   13    HA   SER   2           HA       SER   2 -25.170  -6.472  -9.813
   14   1HB   SER   2          2HB       SER   2 -22.270  -5.740 -10.165
   15   2HB   SER   2          1HB       SER   2 -23.179  -6.523 -11.458
   16    HG   SER   2           HG       SER   2 -24.711  -4.765 -11.230
   17    H    ARG   3           H        ARG   3 -24.577  -8.334 -11.328
   18    HA   ARG   3           HA       ARG   3 -23.730 -10.592  -9.659
   19   1HB   ARG   3          2HB       ARG   3 -26.002 -10.495 -10.878
   20   2HB   ARG   3          1HB       ARG   3 -25.077 -10.814 -12.339
   21   1HG   ARG   3          2HG       ARG   3 -26.023 -12.856 -11.404
   22   2HG   ARG   3          1HG       ARG   3 -24.258 -12.897 -11.395
   23   1HD   ARG   3          2HD       ARG   3 -25.483 -11.802  -8.961
   24   2HD   ARG   3          1HD       ARG   3 -25.838 -13.502  -9.265
   25    HE   ARG   3           HE       ARG   3 -23.309 -12.364  -8.507
   26   1HH1  ARG   3          1HH1      ARG   3 -24.883 -15.064 -10.060
   27   2HH1  ARG   3          2HH1      ARG   3 -23.567 -16.155  -9.777
   28   1HH2  ARG   3          1HH2      ARG   3 -21.578 -13.797  -8.134
   29   2HH2  ARG   3          2HH2      ARG   3 -21.692 -15.436  -8.684
   30    H    SER   4           H        SER   4 -23.322  -9.314 -12.954
   31    HA   SER   4           HA       SER   4 -20.655 -10.551 -13.008
   32   1HB   SER   4          2HB       SER   4 -22.406 -11.823 -14.372
   33   2HB   SER   4          1HB       SER   4 -22.428 -10.425 -15.447
   34    HG   SER   4           HG       SER   4 -20.182 -10.745 -15.768
   35    H    ASN   5           H        ASN   5 -22.817  -8.171 -14.516
   36    HA   ASN   5           HA       ASN   5 -20.716  -6.713 -15.769
   37   1HB   ASN   5          2HB       ASN   5 -23.561  -6.662 -15.748
   38   2HB   ASN   5          1HB       ASN   5 -22.999  -5.045 -15.338
   39   1HD2  ASN   5          1HD2      ASN   5 -21.038  -4.384 -16.771
   40   2HD2  ASN   5          2HD2      ASN   5 -21.272  -4.624 -18.465
   41    H    ARG   6           H        ARG   6 -19.333  -5.337 -14.885
   42    HA   ARG   6           HA       ARG   6 -18.345  -3.877 -13.450
   43   1HB   ARG   6          2HB       ARG   6 -20.983  -3.013 -13.694
   44   2HB   ARG   6          1HB       ARG   6 -20.689  -3.023 -11.960
   45   1HG   ARG   6          2HG       ARG   6 -19.963  -0.932 -12.411
   46   2HG   ARG   6          1HG       ARG   6 -18.459  -1.797 -12.734
   47   1HD   ARG   6          2HD       ARG   6 -20.261  -1.656 -15.032
   48   2HD   ARG   6          1HD       ARG   6 -19.714  -0.082 -14.462
   49    HE   ARG   6           HE       ARG   6 -17.426  -1.507 -14.579
   50   1HH1  ARG   6          1HH1      ARG   6 -19.992  -0.954 -16.880
   51   2HH1  ARG   6          2HH1      ARG   6 -18.954  -1.088 -18.259
   52   1HH2  ARG   6          1HH2      ARG   6 -16.060  -1.682 -16.394
   53   2HH2  ARG   6          2HH2      ARG   6 -16.723  -1.502 -17.984
   54    H    GLN   7           H        GLN   7 -17.195  -4.404 -11.721
   55    HA   GLN   7           HA       GLN   7 -18.525  -5.619  -9.414
   56   1HB   GLN   7          2HB       GLN   7 -16.290  -6.824 -11.013
   57   2HB   GLN   7          1HB       GLN   7 -16.444  -7.179  -9.298
   58   1HG   GLN   7          2HG       GLN   7 -18.209  -8.525  -9.602
   59   2HG   GLN   7          1HG       GLN   7 -18.918  -7.489 -10.840
   60   1HE2  GLN   7          1HE2      GLN   7 -17.671  -7.492 -12.949
   61   2HE2  GLN   7          2HE2      GLN   7 -17.130  -9.030 -13.519
   62    H    LYS   8           H        LYS   8 -16.548  -6.034  -7.710
   63    HA   LYS   8           HA       LYS   8 -14.620  -3.895  -7.740
   64   1HB   LYS   8          2HB       LYS   8 -15.450  -2.551  -6.050
   65   2HB   LYS   8          1HB       LYS   8 -16.914  -2.979  -6.914
   66   1HG   LYS   8          2HG       LYS   8 -15.975  -3.871  -4.222
   67   2HG   LYS   8          1HG       LYS   8 -17.534  -3.209  -4.705
   68   1HD   LYS   8          2HD       LYS   8 -17.593  -5.450  -6.141
   69   2HD   LYS   8          1HD       LYS   8 -16.514  -5.990  -4.852
   70   1HE   LYS   8          2HE       LYS   8 -18.131  -5.819  -3.240
   71   2HE   LYS   8          1HE       LYS   8 -19.009  -4.555  -4.100
   72   1HZ   LYS   8          1HZ       LYS   8 -20.201  -6.678  -4.071
   73   2HZ   LYS   8          2HZ       LYS   8 -18.926  -7.412  -4.906
   74   3HZ   LYS   8          3HZ       LYS   8 -19.829  -6.188  -5.648
   75    H    GLU   9           H        GLU   9 -14.205  -3.878  -4.904
   76    HA   GLU   9           HA       GLU   9 -13.282  -5.064  -3.181
   77   1HB   GLU   9          2HB       GLU   9 -14.755  -7.129  -4.548
   78   2HB   GLU   9          1HB       GLU   9 -13.201  -7.759  -4.025
   79   1HG   GLU   9          2HG       GLU   9 -13.658  -7.154  -1.751
   80   2HG   GLU   9          1HG       GLU   9 -15.136  -6.319  -2.228
   81    H    TYR  10           H        TYR  10 -11.189  -5.639  -2.715
   82    HA   TYR  10           HA       TYR  10  -9.428  -6.086  -5.043
   83   1HB   TYR  10          2HB       TYR  10  -8.661  -4.510  -2.584
   84   2HB   TYR  10          1HB       TYR  10  -7.782  -4.631  -4.105
   85    HD1  TYR  10           1HD      TYR  10 -11.031  -3.454  -2.709
   86    HD2  TYR  10           2HD      TYR  10  -8.076  -2.998  -5.734
   87    HE1  TYR  10           1HE      TYR  10 -12.201  -1.458  -3.539
   88    HE2  TYR  10           2HE      TYR  10  -9.236  -0.999  -6.574
   89    HH   TYR  10           HH       TYR  10 -11.537  -0.051  -6.529
   90    H    LYS  11           H        LYS  11  -7.262  -7.000  -4.415
   91    HA   LYS  11           HA       LYS  11  -7.413  -8.730  -2.057
   92   1HB   LYS  11          2HB       LYS  11  -7.024  -9.589  -4.906
   93   2HB   LYS  11          1HB       LYS  11  -6.357 -10.540  -3.585
   94   1HG   LYS  11          2HG       LYS  11  -8.392 -11.556  -3.984
   95   2HG   LYS  11          1HG       LYS  11  -8.750 -10.481  -2.631
   96   1HD   LYS  11          2HD       LYS  11 -10.378  -9.572  -3.845
   97   2HD   LYS  11          1HD       LYS  11  -9.156  -8.967  -4.966
   98   1HE   LYS  11          2HE       LYS  11 -10.452 -10.178  -6.407
   99   2HE   LYS  11          1HE       LYS  11  -9.299 -11.419  -5.917
  100   1HZ   LYS  11          1HZ       LYS  11 -11.214 -11.652  -4.044
  101   2HZ   LYS  11          2HZ       LYS  11 -11.127 -12.591  -5.448
  102   3HZ   LYS  11          3HZ       LYS  11 -12.131 -11.232  -5.403
  103    H    CYS  12           H        CYS  12  -5.285  -9.787  -1.599
  104    HA   CYS  12           HA       CYS  12  -3.278  -7.924  -1.236
  105   1HB   CYS  12          2HB       CYS  12  -2.793 -10.893  -1.506
  106   2HB   CYS  12          1HB       CYS  12  -1.865  -9.737  -0.558
  107    HG   CYS  12           HG       CYS  12  -3.300 -10.366   1.312
  108    H    GLY  13           H        GLY  13  -1.666  -7.110  -2.471
  109   1HA   GLY  13          2HA       GLY  13   0.036  -7.219  -4.110
  110   2HA   GLY  13          1HA       GLY  13  -0.800  -8.574  -4.849
  111    H    ASP  14           H        ASP  14  -3.292  -6.654  -4.424
  112    HA   ASP  14           HA       ASP  14  -3.323  -5.758  -7.132
  113   1HB   ASP  14          2HB       ASP  14  -5.196  -5.550  -4.805
  114   2HB   ASP  14          1HB       ASP  14  -5.469  -4.544  -6.224
  115    H    LEU  15           H        LEU  15  -3.117  -3.724  -7.970
  116    HA   LEU  15           HA       LEU  15  -1.820  -1.755  -6.251
  117   1HB   LEU  15          2HB       LEU  15  -2.263  -1.675  -9.237
  118   2HB   LEU  15          1HB       LEU  15  -1.223  -0.611  -8.309
  119    HG   LEU  15           HG       LEU  15  -0.799  -3.577  -8.682
  120   1HD1  LEU  15          1HD1      LEU  15  -0.106  -2.857 -10.703
  121   2HD1  LEU  15          2HD1      LEU  15   1.340  -2.403  -9.801
  122   3HD1  LEU  15          3HD1      LEU  15   0.109  -1.193 -10.159
  123   1HD2  LEU  15          1HD2      LEU  15   0.929  -3.489  -7.238
  124   2HD2  LEU  15          2HD2      LEU  15   0.033  -2.129  -6.565
  125   3HD2  LEU  15          3HD2      LEU  15   1.361  -1.841  -7.687
  126    H    VAL  16           H        VAL  16  -2.962  -0.201  -5.329
  127    HA   VAL  16           HA       VAL  16  -5.272   0.906  -6.755
  128    HB   VAL  16           HB       VAL  16  -6.596   0.953  -4.676
  129   1HG1  VAL  16          1HG1      VAL  16  -7.280  -0.792  -6.002
  130   2HG1  VAL  16          2HG1      VAL  16  -6.824  -1.652  -4.532
  131   3HG1  VAL  16          3HG1      VAL  16  -5.725  -1.617  -5.909
  132   1HG2  VAL  16          1HG2      VAL  16  -5.854   0.251  -2.670
  133   2HG2  VAL  16          2HG2      VAL  16  -4.262   0.525  -3.376
  134   3HG2  VAL  16          3HG2      VAL  16  -4.951  -1.098  -3.358
  135    H    PHE  17           H        PHE  17  -6.142   2.860  -5.548
  136    HA   PHE  17           HA       PHE  17  -3.876   4.508  -4.623
  137   1HB   PHE  17          2HB       PHE  17  -6.246   5.091  -6.346
  138   2HB   PHE  17          1HB       PHE  17  -5.641   6.378  -5.311
  139    HD1  PHE  17           1HD      PHE  17  -5.538   5.269  -8.505
  140    HD2  PHE  17           2HD      PHE  17  -2.878   6.337  -5.370
  141    HE1  PHE  17           1HE      PHE  17  -3.796   5.765 -10.161
  142    HE2  PHE  17           2HE      PHE  17  -1.126   6.834  -7.015
  143    HZ   PHE  17           HZ       PHE  17  -1.581   6.554  -9.422
  144    H    ALA  18           H        ALA  18  -4.030   5.485  -2.642
  145    HA   ALA  18           HA       ALA  18  -6.533   5.048  -1.159
  146   1HB   ALA  18          1HB       ALA  18  -3.700   4.736  -0.436
  147   2HB   ALA  18          2HB       ALA  18  -5.129   3.899   0.172
  148   3HB   ALA  18          3HB       ALA  18  -4.713   5.497   0.791
  149    H    LYS  19           H        LYS  19  -7.663   6.764  -0.582
  150    HA   LYS  19           HA       LYS  19  -6.498   9.411  -0.889
  151   1HB   LYS  19          2HB       LYS  19  -8.683   8.987  -1.906
  152   2HB   LYS  19          1HB       LYS  19  -9.343   8.546  -0.337
  153   1HG   LYS  19          2HG       LYS  19 -10.081  10.692  -0.490
  154   2HG   LYS  19          1HG       LYS  19  -8.533  10.965   0.312
  155   1HD   LYS  19          2HD       LYS  19  -7.527  11.347  -1.947
  156   2HD   LYS  19          1HD       LYS  19  -9.157  11.277  -2.621
  157   1HE   LYS  19          2HE       LYS  19  -8.225  13.587  -2.129
  158   2HE   LYS  19          1HE       LYS  19  -9.824  13.223  -1.480
  159   1HZ   LYS  19          1HZ       LYS  19  -7.418  12.792   0.166
  160   2HZ   LYS  19          2HZ       LYS  19  -9.011  13.066   0.662
  161   3HZ   LYS  19          3HZ       LYS  19  -8.092  14.339   0.031
  162    H    MET  20           H        MET  20  -6.006  10.747   0.729
  163    HA   MET  20           HA       MET  20  -6.868  10.042   3.450
  164   1HB   MET  20          2HB       MET  20  -4.083  10.823   2.578
  165   2HB   MET  20          1HB       MET  20  -4.605  10.757   4.255
  166   1HG   MET  20          2HG       MET  20  -4.238   8.579   4.347
  167   2HG   MET  20          1HG       MET  20  -5.251   8.298   2.933
  168   1HE   MET  20          1HE       MET  20  -0.853   9.309   3.085
  169   2HE   MET  20          2HE       MET  20  -1.274   7.813   3.920
  170   3HE   MET  20          3HE       MET  20  -2.055   9.328   4.375
  171    H    LYS  21           H        LYS  21  -7.082  11.793   4.898
  172    HA   LYS  21           HA       LYS  21  -8.064  14.171   3.772
  173   1HB   LYS  21          2HB       LYS  21  -7.623  13.096   6.469
  174   2HB   LYS  21          1HB       LYS  21  -7.531  14.850   6.376
  175   1HG   LYS  21          2HG       LYS  21  -9.734  15.081   5.866
  176   2HG   LYS  21          1HG       LYS  21  -9.822  13.522   5.043
  177   1HD   LYS  21          2HD       LYS  21 -10.856  12.788   6.886
  178   2HD   LYS  21          1HD       LYS  21  -9.260  12.813   7.640
  179   1HE   LYS  21          2HE       LYS  21 -11.261  15.071   7.666
  180   2HE   LYS  21          1HE       LYS  21 -10.927  13.977   9.007
  181   1HZ   LYS  21          1HZ       LYS  21  -8.724  15.516   7.815
  182   2HZ   LYS  21          2HZ       LYS  21  -8.887  14.924   9.390
  183   3HZ   LYS  21          3HZ       LYS  21  -9.775  16.278   8.901
  184    H    GLY  22           H        GLY  22  -7.016  15.879   2.990
  185   1HA   GLY  22          2HA       GLY  22  -5.477  17.616   2.919
  186   2HA   GLY  22          1HA       GLY  22  -4.649  16.900   4.291
  187    H    TYR  23           H        TYR  23  -5.247  14.746   1.707
  188    HA   TYR  23           HA       TYR  23  -2.752  15.312   0.338
  189   1HB   TYR  23          2HB       TYR  23  -3.073  12.528   1.419
  190   2HB   TYR  23          1HB       TYR  23  -1.614  13.340   0.862
  191    HD1  TYR  23           1HD      TYR  23  -3.685  12.553   3.692
  192    HD2  TYR  23           2HD      TYR  23  -0.617  15.153   2.312
  193    HE1  TYR  23           1HE      TYR  23  -3.128  13.119   6.017
  194    HE2  TYR  23           2HE      TYR  23  -0.049  15.727   4.635
  195    HH   TYR  23           HH       TYR  23  -0.292  14.683   6.899
  196    HA   PRO  24           HA       PRO  24  -5.137  13.562  -2.949
  197   1HB   PRO  24          2HB       PRO  24  -3.270  13.379  -4.857
  198   2HB   PRO  24          1HB       PRO  24  -3.815  14.948  -4.253
  199   1HG   PRO  24          2HG       PRO  24  -1.328  13.425  -3.601
  200   2HG   PRO  24          1HG       PRO  24  -1.542  15.165  -3.857
  201   1HD   PRO  24          2HD       PRO  24  -1.399  13.938  -1.382
  202   2HD   PRO  24          1HD       PRO  24  -2.137  15.522  -1.685
  203    H    HIS  25           H        HIS  25  -5.285  11.684  -4.387
  204    HA   HIS  25           HA       HIS  25  -5.006   9.246  -3.158
  205   1HB   HIS  25          2HB       HIS  25  -4.967   9.879  -6.118
  206   2HB   HIS  25          1HB       HIS  25  -5.175   8.262  -5.457
  207    HD1  HIS  25           1HD      HIS  25  -6.913  11.620  -5.546
  208    HD2  HIS  25           2HD      HIS  25  -7.740   7.632  -4.732
  209    HE1  HIS  25           1HE      HIS  25  -9.409  11.494  -5.274
  210    HE2  HIS  25           2HE      HIS  25  -9.873   9.092  -4.673
  211    H    TRP  26           H        TRP  26  -3.204   8.229  -2.460
  212    HA   TRP  26           HA       TRP  26  -0.662   8.719  -3.829
  213   1HB   TRP  26          2HB       TRP  26  -1.144   8.868  -1.229
  214   2HB   TRP  26          1HB       TRP  26  -0.843   7.136  -1.305
  215    HD1  TRP  26           HD       TRP  26   1.667   6.409  -2.240
  216    HE1  TRP  26           1HE      TRP  26   3.925   7.617  -1.923
  217    HE3  TRP  26           3HE      TRP  26  -0.045  11.073  -1.026
  218    HZ2  TRP  26           2HZ      TRP  26   4.845  10.196  -1.253
  219    HZ3  TRP  26           3HZ      TRP  26   1.576  12.844  -0.566
  220    HH2  TRP  26           HH       TRP  26   3.962  12.416  -0.676
  221    HA   PRO  27           HA       PRO  27  -0.841   4.773  -5.911
  222   1HB   PRO  27          2HB       PRO  27   1.927   4.449  -6.074
  223   2HB   PRO  27          1HB       PRO  27   0.920   5.278  -7.263
  224   1HG   PRO  27          2HG       PRO  27   2.585   6.413  -5.068
  225   2HG   PRO  27          1HG       PRO  27   2.284   7.048  -6.695
  226   1HD   PRO  27          2HD       PRO  27   1.074   8.085  -4.537
  227   2HD   PRO  27          1HD       PRO  27   0.237   7.956  -6.098
  228    H    ALA  28           H        ALA  28  -1.290   2.961  -4.838
  229    HA   ALA  28           HA       ALA  28   0.640   1.966  -2.878
  230   1HB   ALA  28          1HB       ALA  28  -0.654   2.209  -1.079
  231   2HB   ALA  28          2HB       ALA  28  -2.111   1.726  -1.948
  232   3HB   ALA  28          3HB       ALA  28  -1.530   3.387  -2.056
  233    H    ARG  29           H        ARG  29  -0.209  -0.196  -1.947
  234    HA   ARG  29           HA       ARG  29  -1.624  -1.793  -3.948
  235   1HB   ARG  29          2HB       ARG  29   0.873  -1.906  -4.350
  236   2HB   ARG  29          1HB       ARG  29   1.019  -2.670  -2.774
  237   1HG   ARG  29          2HG       ARG  29  -0.777  -4.314  -3.793
  238   2HG   ARG  29          1HG       ARG  29  -0.087  -3.741  -5.311
  239   1HD   ARG  29          2HD       ARG  29   1.279  -5.528  -4.894
  240   2HD   ARG  29          1HD       ARG  29   2.184  -4.248  -4.086
  241    HE   ARG  29           HE       ARG  29   0.563  -5.232  -2.138
  242   1HH1  ARG  29          1HH1      ARG  29   2.886  -6.658  -4.318
  243   2HH1  ARG  29          2HH1      ARG  29   3.315  -7.931  -3.228
  244   1HH2  ARG  29          1HH2      ARG  29   1.125  -6.910  -0.704
  245   2HH2  ARG  29          2HH2      ARG  29   2.316  -8.076  -1.176
  246    H    ILE  30           H        ILE  30  -2.448  -3.817  -3.093
  247    HA   ILE  30           HA       ILE  30  -3.164  -3.608  -0.296
  248    HB   ILE  30           HB       ILE  30  -3.842  -5.864  -2.180
  249   1HG1  ILE  30          2HG1      ILE  30  -4.508  -3.689  -3.156
  250   2HG1  ILE  30          1HG1      ILE  30  -5.898  -4.679  -2.721
  251   1HG2  ILE  30          1HG2      ILE  30  -5.241  -6.627  -0.596
  252   2HG2  ILE  30          2HG2      ILE  30  -5.727  -5.008  -0.096
  253   3HG2  ILE  30          3HG2      ILE  30  -4.216  -5.698   0.497
  254   1HD1  ILE  30          1HD1      ILE  30  -6.079  -2.245  -2.165
  255   2HD1  ILE  30          2HD1      ILE  30  -4.817  -2.501  -0.959
  256   3HD1  ILE  30          3HD1      ILE  30  -6.357  -3.351  -0.819
  257    H    ASP  31           H        ASP  31  -2.497  -4.941   1.356
  258    HA   ASP  31           HA       ASP  31  -0.385  -6.877   0.685
  259   1HB   ASP  31          2HB       ASP  31  -0.456  -4.689   2.631
  260   2HB   ASP  31          1HB       ASP  31   0.082  -6.220   3.316
  261    H    GLU  32           H        GLU  32  -3.356  -6.340   2.366
  262    HA   GLU  32           HA       GLU  32  -3.657  -9.134   2.863
  263   1HB   GLU  32          2HB       GLU  32  -4.001  -8.889   5.339
  264   2HB   GLU  32          1HB       GLU  32  -2.333  -8.749   4.801
  265   1HG   GLU  32          2HG       GLU  32  -2.204  -6.532   5.311
  266   2HG   GLU  32          1HG       GLU  32  -3.931  -6.264   5.077
  267    H    MET  33           H        MET  33  -5.777  -9.701   3.602
  268    HA   MET  33           HA       MET  33  -7.759  -7.701   2.849
  269   1HB   MET  33          2HB       MET  33  -7.946 -10.673   3.343
  270   2HB   MET  33          1HB       MET  33  -9.337  -9.662   2.979
  271   1HG   MET  33          2HG       MET  33  -6.960  -9.766   1.162
  272   2HG   MET  33          1HG       MET  33  -8.253 -10.961   1.067
  273   1HE   MET  33          1HE       MET  33  -7.610  -6.988   1.008
  274   2HE   MET  33          2HE       MET  33  -8.193  -6.795  -0.645
  275   3HE   MET  33          3HE       MET  33  -6.871  -7.911  -0.300
  276    HA   PRO  34           HA       PRO  34  -9.191  -7.233   7.020
  277   1HB   PRO  34          2HB       PRO  34 -11.636  -6.253   6.619
  278   2HB   PRO  34          1HB       PRO  34 -10.206  -5.378   6.057
  279   1HG   PRO  34          2HG       PRO  34 -12.187  -6.962   4.507
  280   2HG   PRO  34          1HG       PRO  34 -11.258  -5.535   4.020
  281   1HD   PRO  34          2HD       PRO  34 -10.662  -8.249   3.440
  282   2HD   PRO  34          1HD       PRO  34  -9.636  -6.838   3.123
  283    H    GLU  35           H        GLU  35  -9.455  -9.971   6.066
  284    HA   GLU  35           HA       GLU  35 -11.570 -10.842   7.846
  285   1HB   GLU  35          2HB       GLU  35 -12.575 -10.610   5.550
  286   2HB   GLU  35          1HB       GLU  35 -11.437 -11.839   5.004
  287   1HG   GLU  35          2HG       GLU  35 -12.462 -13.516   6.194
  288   2HG   GLU  35          1HG       GLU  35 -13.223 -12.394   7.320
  289    H    ALA  36           H        ALA  36  -8.778 -10.975   8.126
  290    HA   ALA  36           HA       ALA  36  -8.429 -13.742   8.615
  291   1HB   ALA  36          1HB       ALA  36  -6.397 -12.832   6.661
  292   2HB   ALA  36          2HB       ALA  36  -7.996 -13.240   6.031
  293   3HB   ALA  36          3HB       ALA  36  -7.068 -14.441   6.935
  294    H    ALA  37           H        ALA  37  -7.059 -10.551   8.188
  295    HA   ALA  37           HA       ALA  37  -5.513 -10.950  10.629
  296   1HB   ALA  37          1HB       ALA  37  -3.932 -11.209   8.798
  297   2HB   ALA  37          2HB       ALA  37  -3.610  -9.715   9.677
  298   3HB   ALA  37          3HB       ALA  37  -4.440  -9.662   8.121
  299    H    VAL  38           H        VAL  38  -7.465  -9.831  11.429
  300    HA   VAL  38           HA       VAL  38  -6.978  -6.979  11.544
  301    HB   VAL  38           HB       VAL  38  -9.461  -6.525  11.125
  302   1HG1  VAL  38          1HG1      VAL  38  -9.106  -6.165   8.789
  303   2HG1  VAL  38          2HG1      VAL  38  -7.851  -7.403   8.735
  304   3HG1  VAL  38          3HG1      VAL  38  -7.571  -5.902   9.616
  305   1HG2  VAL  38          1HG2      VAL  38  -9.209  -9.297   9.990
  306   2HG2  VAL  38          2HG2      VAL  38 -10.432  -8.159   9.424
  307   3HG2  VAL  38          3HG2      VAL  38 -10.419  -8.674  11.111
  308    H    LYS  39           H        LYS  39  -8.675  -5.945  13.061
  309    HA   LYS  39           HA       LYS  39  -9.881  -7.699  14.999
  310   1HB   LYS  39          2HB       LYS  39  -7.314  -6.268  15.557
  311   2HB   LYS  39          1HB       LYS  39  -8.493  -6.430  16.850
  312   1HG   LYS  39          2HG       LYS  39  -7.392  -8.751  15.283
  313   2HG   LYS  39          1HG       LYS  39  -6.736  -8.187  16.820
  314   1HD   LYS  39          2HD       LYS  39  -8.921  -8.580  17.879
  315   2HD   LYS  39          1HD       LYS  39  -9.543  -9.187  16.343
  316   1HE   LYS  39          2HE       LYS  39  -8.930 -11.050  17.741
  317   2HE   LYS  39          1HE       LYS  39  -7.810 -10.950  16.383
  318   1HZ   LYS  39          1HZ       LYS  39  -7.298 -10.020  19.156
  319   2HZ   LYS  39          2HZ       LYS  39  -6.233  -9.814  17.860
  320   3HZ   LYS  39          3HZ       LYS  39  -6.607 -11.370  18.404
  321    H    SER  40           H        SER  40  -8.534  -4.396  15.078
  322    HA   SER  40           HA       SER  40 -11.152  -3.400  15.916
  323   1HB   SER  40          2HB       SER  40  -8.380  -2.585  16.350
  324   2HB   SER  40          1HB       SER  40  -9.416  -1.233  15.898
  325    HG   SER  40           HG       SER  40  -9.224  -1.952  18.239
  326    H    THR  41           H        THR  41 -11.180  -4.223  13.331
  327    HA   THR  41           HA       THR  41 -11.561  -1.698  11.905
  328    HB   THR  41           HB       THR  41 -10.537  -2.741   9.849
  329    HG1  THR  41           1HG      THR  41  -9.987  -4.743  10.026
  330   1HG2  THR  41          1HG2      THR  41  -8.365  -2.073  10.296
  331   2HG2  THR  41          2HG2      THR  41  -8.459  -2.558  11.989
  332   3HG2  THR  41          3HG2      THR  41  -9.329  -1.129  11.431
  333    H    ALA  42           H        ALA  42 -13.456  -1.650  10.892
  334    HA   ALA  42           HA       ALA  42 -15.200  -3.914  10.941
  335   1HB   ALA  42          1HB       ALA  42 -16.011  -1.596  11.181
  336   2HB   ALA  42          2HB       ALA  42 -16.814  -2.454   9.866
  337   3HB   ALA  42          3HB       ALA  42 -15.545  -1.281   9.509
  338    H    ASN  43           H        ASN  43 -13.695  -2.025   8.354
  339    HA   ASN  43           HA       ASN  43 -13.305  -4.374   6.756
  340   1HB   ASN  43          2HB       ASN  43 -15.704  -3.053   6.378
  341   2HB   ASN  43          1HB       ASN  43 -14.673  -2.357   5.132
  342   1HD2  ASN  43          1HD2      ASN  43 -16.231  -3.419   3.711
  343   2HD2  ASN  43          2HD2      ASN  43 -15.982  -5.079   3.299
  344    H    LYS  44           H        LYS  44 -11.457  -2.870   7.893
  345    HA   LYS  44           HA       LYS  44 -10.492  -0.967   5.893
  346   1HB   LYS  44          2HB       LYS  44  -9.025  -1.445   8.438
  347   2HB   LYS  44          1HB       LYS  44  -9.279   0.053   7.554
  348   1HG   LYS  44          2HG       LYS  44 -11.739  -1.101   8.644
  349   2HG   LYS  44          1HG       LYS  44 -10.544  -0.655   9.866
  350   1HD   LYS  44          2HD       LYS  44 -10.444   1.600   9.021
  351   2HD   LYS  44          1HD       LYS  44 -11.491   1.178   7.665
  352   1HE   LYS  44          2HE       LYS  44 -13.373   0.971   9.026
  353   2HE   LYS  44          1HE       LYS  44 -12.408   0.807  10.493
  354   1HZ   LYS  44          1HZ       LYS  44 -13.563   3.005  10.135
  355   2HZ   LYS  44          2HZ       LYS  44 -12.444   3.301   8.902
  356   3HZ   LYS  44          3HZ       LYS  44 -11.910   3.083  10.492
  357    H    TYR  45           H        TYR  45  -8.878  -1.390   4.578
  358    HA   TYR  45           HA       TYR  45  -7.537  -3.985   4.756
  359   1HB   TYR  45          2HB       TYR  45  -7.351  -1.937   2.537
  360   2HB   TYR  45          1HB       TYR  45  -6.849  -3.621   2.474
  361    HD1  TYR  45           1HD      TYR  45  -8.480  -5.394   2.204
  362    HD2  TYR  45           2HD      TYR  45  -9.693  -1.323   2.392
  363    HE1  TYR  45           1HE      TYR  45 -10.695  -6.023   1.338
  364    HE2  TYR  45           2HE      TYR  45 -11.912  -1.939   1.528
  365    HH   TYR  45           HH       TYR  45 -12.779  -4.030   0.003
  366    H    GLN  46           H        GLN  46  -5.251  -4.175   4.512
  367    HA   GLN  46           HA       GLN  46  -3.783  -1.931   5.699
  368   1HB   GLN  46          2HB       GLN  46  -3.709  -4.485   6.459
  369   2HB   GLN  46          1HB       GLN  46  -2.515  -4.585   5.173
  370   1HG   GLN  46          2HG       GLN  46  -1.915  -2.308   6.756
  371   2HG   GLN  46          1HG       GLN  46  -2.181  -3.679   7.832
  372   1HE2  GLN  46          1HE2      GLN  46   0.018  -3.673   8.393
  373   2HE2  GLN  46          2HE2      GLN  46   1.224  -4.300   7.326
  374    H    VAL  47           H        VAL  47  -3.352  -0.580   4.056
  375    HA   VAL  47           HA       VAL  47  -2.283  -1.669   1.571
  376    HB   VAL  47           HB       VAL  47  -4.066  -0.189   1.154
  377   1HG1  VAL  47          1HG1      VAL  47  -3.531   2.317   2.082
  378   2HG1  VAL  47          2HG1      VAL  47  -2.944   1.308   3.403
  379   3HG1  VAL  47          3HG1      VAL  47  -4.614   1.158   2.854
  380   1HG2  VAL  47          1HG2      VAL  47  -3.064   1.617  -0.117
  381   2HG2  VAL  47          2HG2      VAL  47  -2.135   0.130  -0.322
  382   3HG2  VAL  47          3HG2      VAL  47  -1.539   1.404   0.745
  383    H    PHE  48           H        PHE  48  -0.430  -0.949   0.615
  384    HA   PHE  48           HA       PHE  48   1.580   0.173   2.452
  385   1HB   PHE  48          2HB       PHE  48   1.973  -2.118   1.493
  386   2HB   PHE  48          1HB       PHE  48   2.042  -1.383  -0.104
  387    HD1  PHE  48           1HD      PHE  48   3.495  -0.508   3.221
  388    HD2  PHE  48           2HD      PHE  48   4.190  -1.329  -0.897
  389    HE1  PHE  48           1HE      PHE  48   5.892  -0.048   3.536
  390    HE2  PHE  48           2HE      PHE  48   6.588  -0.872  -0.589
  391    HZ   PHE  48           HZ       PHE  48   7.441  -0.231   1.630
  392    H    PHE  49           H        PHE  49   2.318   2.161   2.059
  393    HA   PHE  49           HA       PHE  49   1.557   3.521  -0.404
  394   1HB   PHE  49          2HB       PHE  49   2.854   4.569   2.122
  395   2HB   PHE  49          1HB       PHE  49   2.383   5.559   0.746
  396    HD1  PHE  49           1HD      PHE  49  -0.111   5.448   0.054
  397    HD2  PHE  49           2HD      PHE  49   1.372   4.218   3.846
  398    HE1  PHE  49           1HE      PHE  49  -2.363   5.697   1.010
  399    HE2  PHE  49           2HE      PHE  49  -0.874   4.463   4.807
  400    HZ   PHE  49           HZ       PHE  49  -2.745   5.202   3.391
  401    H    PHE  50           H        PHE  50   2.924   3.386  -2.080
  402    HA   PHE  50           HA       PHE  50   5.616   2.573  -1.882
  403   1HB   PHE  50          2HB       PHE  50   4.012   3.860  -4.086
  404   2HB   PHE  50          1HB       PHE  50   5.722   3.491  -4.287
  405    HD1  PHE  50           1HD      PHE  50   6.345   1.007  -3.517
  406    HD2  PHE  50           2HD      PHE  50   2.517   2.304  -4.848
  407    HE1  PHE  50           1HE      PHE  50   5.773  -1.311  -4.118
  408    HE2  PHE  50           2HE      PHE  50   1.939  -0.013  -5.448
  409    HZ   PHE  50           HZ       PHE  50   3.567  -1.821  -5.084
  410    H    GLY  51           H        GLY  51   7.391   4.011  -2.995
  411   1HA   GLY  51          2HA       GLY  51   8.715   5.895  -2.923
  412   2HA   GLY  51          1HA       GLY  51   7.264   6.827  -2.579
  413    H    THR  52           H        THR  52   6.382   6.247  -0.250
  414    HA   THR  52           HA       THR  52   8.563   6.877   1.577
  415    HB   THR  52           HB       THR  52   6.779   7.408   3.177
  416    HG1  THR  52           1HG      THR  52   4.989   6.660   1.110
  417   1HG2  THR  52          1HG2      THR  52   5.614   9.205   1.947
  418   2HG2  THR  52          2HG2      THR  52   6.315   8.587   0.451
  419   3HG2  THR  52          3HG2      THR  52   7.364   9.215   1.723
  420    H    HIS  53           H        HIS  53   6.487   4.250   0.728
  421    HA   HIS  53           HA       HIS  53   6.356   2.095   1.436
  422   1HB   HIS  53          2HB       HIS  53   8.922   2.813   2.869
  423   2HB   HIS  53          1HB       HIS  53   8.275   1.181   2.749
  424    HD1  HIS  53           1HD      HIS  53  10.058   0.150   1.301
  425    HD2  HIS  53           2HD      HIS  53   8.505   3.653  -0.307
  426    HE1  HIS  53           1HE      HIS  53  11.002   0.299  -1.024
  427    HE2  HIS  53           2HE      HIS  53   9.972   2.375  -2.011
  428    H    GLU  54           H        GLU  54   4.911   4.084   2.804
  429    HA   GLU  54           HA       GLU  54   5.064   3.357   5.635
  430   1HB   GLU  54          2HB       GLU  54   3.218   5.328   4.277
  431   2HB   GLU  54          1HB       GLU  54   3.468   5.148   6.008
  432   1HG   GLU  54          2HG       GLU  54   5.683   5.985   5.863
  433   2HG   GLU  54          1HG       GLU  54   5.662   5.915   4.101
  434    H    THR  55           H        THR  55   3.132   2.657   6.807
  435    HA   THR  55           HA       THR  55   1.235   1.238   5.068
  436    HB   THR  55           HB       THR  55   1.340  -0.183   7.482
  437    HG1  THR  55           1HG      THR  55   3.465  -0.555   7.841
  438   1HG2  THR  55          1HG2      THR  55   1.185  -0.937   4.998
  439   2HG2  THR  55          2HG2      THR  55   1.889  -2.004   6.213
  440   3HG2  THR  55          3HG2      THR  55   2.937  -1.078   5.138
  441    H    ALA  56           H        ALA  56  -0.857   1.142   5.627
  442    HA   ALA  56           HA       ALA  56  -1.781   2.231   8.146
  443   1HB   ALA  56          1HB       ALA  56  -2.503   3.618   5.576
  444   2HB   ALA  56          2HB       ALA  56  -1.347   4.222   6.761
  445   3HB   ALA  56          3HB       ALA  56  -3.049   4.047   7.198
  446    H    PHE  57           H        PHE  57  -4.239   2.246   8.225
  447    HA   PHE  57           HA       PHE  57  -5.247  -0.039   6.677
  448   1HB   PHE  57          2HB       PHE  57  -5.905   0.909   9.460
  449   2HB   PHE  57          1HB       PHE  57  -6.912  -0.247   8.595
  450    HD1  PHE  57           1HD      PHE  57  -6.261  -2.516   8.360
  451    HD2  PHE  57           2HD      PHE  57  -3.591   0.322  10.070
  452    HE1  PHE  57           1HE      PHE  57  -4.807  -4.349   9.128
  453    HE2  PHE  57           2HE      PHE  57  -2.133  -1.502  10.839
  454    HZ   PHE  57           HZ       PHE  57  -2.740  -3.842  10.369
  455    H    LEU  58           H        LEU  58  -6.027   1.140   4.932
  456    HA   LEU  58           HA       LEU  58  -8.045   3.184   5.487
  457   1HB   LEU  58          2HB       LEU  58  -6.390   2.472   3.111
  458   2HB   LEU  58          1HB       LEU  58  -7.919   3.290   2.854
  459    HG   LEU  58           HG       LEU  58  -6.831   4.877   4.766
  460   1HD1  LEU  58          1HD1      LEU  58  -4.480   4.348   3.014
  461   2HD1  LEU  58          2HD1      LEU  58  -4.735   3.349   4.445
  462   3HD1  LEU  58          3HD1      LEU  58  -4.552   5.096   4.609
  463   1HD2  LEU  58          1HD2      LEU  58  -6.317   6.423   2.962
  464   2HD2  LEU  58          2HD2      LEU  58  -7.837   5.585   2.648
  465   3HD2  LEU  58          3HD2      LEU  58  -6.371   5.102   1.795
  466    H    GLY  59           H        GLY  59 -10.091   3.169   4.333
  467   1HA   GLY  59          2HA       GLY  59 -11.168   0.461   4.198
  468   2HA   GLY  59          1HA       GLY  59 -12.097   1.952   4.246
  469    HA   PRO  60           HA       PRO  60 -11.741   0.178  -0.152
  470   1HB   PRO  60          2HB       PRO  60 -14.388  -0.394  -0.495
  471   2HB   PRO  60          1HB       PRO  60 -13.207  -1.566   0.099
  472   1HG   PRO  60          2HG       PRO  60 -15.171   0.089   1.630
  473   2HG   PRO  60          1HG       PRO  60 -14.716  -1.609   1.861
  474   1HD   PRO  60          2HD       PRO  60 -13.744   0.385   3.415
  475   2HD   PRO  60          1HD       PRO  60 -12.800  -1.066   3.026
  476    H    LYS  61           H        LYS  61 -13.875   2.382   1.535
  477    HA   LYS  61           HA       LYS  61 -14.934   3.684  -0.748
  478   1HB   LYS  61          2HB       LYS  61 -14.533   4.896   1.988
  479   2HB   LYS  61          1HB       LYS  61 -15.715   5.363   0.773
  480   1HG   LYS  61          2HG       LYS  61 -16.094   2.610   1.362
  481   2HG   LYS  61          1HG       LYS  61 -15.991   3.498   2.884
  482   1HD   LYS  61          2HD       LYS  61 -17.705   4.506   0.644
  483   2HD   LYS  61          1HD       LYS  61 -18.294   3.243   1.727
  484   1HE   LYS  61          2HE       LYS  61 -19.057   5.212   2.712
  485   2HE   LYS  61          1HE       LYS  61 -17.597   4.829   3.622
  486   1HZ   LYS  61          1HZ       LYS  61 -17.511   6.644   1.294
  487   2HZ   LYS  61          2HZ       LYS  61 -16.409   6.507   2.570
  488   3HZ   LYS  61          3HZ       LYS  61 -17.921   7.215   2.833
  489    H    ASP  62           H        ASP  62 -11.956   3.930   1.016
  490    HA   ASP  62           HA       ASP  62 -11.208   6.352  -0.464
  491   1HB   ASP  62          2HB       ASP  62  -9.915   4.999   1.913
  492   2HB   ASP  62          1HB       ASP  62  -9.267   6.425   1.107
  493    H    LEU  63           H        LEU  63 -11.274   3.353  -1.308
  494    HA   LEU  63           HA       LEU  63  -8.510   3.223  -2.307
  495   1HB   LEU  63          2HB       LEU  63 -10.439   1.180  -1.370
  496   2HB   LEU  63          1HB       LEU  63  -9.474   0.742  -2.764
  497    HG   LEU  63           HG       LEU  63  -7.474   0.807  -1.561
  498   1HD1  LEU  63          1HD1      LEU  63  -7.284   2.731  -0.382
  499   2HD1  LEU  63          2HD1      LEU  63  -7.696   1.655   0.953
  500   3HD1  LEU  63          3HD1      LEU  63  -8.943   2.661   0.214
  501   1HD2  LEU  63          1HD2      LEU  63  -8.255  -1.153  -0.772
  502   2HD2  LEU  63          2HD2      LEU  63  -9.758  -0.441  -0.184
  503   3HD2  LEU  63          3HD2      LEU  63  -8.277  -0.283   0.762
  504    H    PHE  64           H        PHE  64  -8.157   3.147  -4.465
  505    HA   PHE  64           HA       PHE  64 -10.463   2.805  -6.255
  506   1HB   PHE  64          2HB       PHE  64  -8.376   4.969  -6.611
  507   2HB   PHE  64          1HB       PHE  64  -9.806   4.703  -7.601
  508    HD1  PHE  64           1HD      PHE  64  -8.918   5.311  -4.024
  509    HD2  PHE  64           2HD      PHE  64 -11.618   6.051  -7.230
  510    HE1  PHE  64           1HE      PHE  64 -10.201   6.841  -2.586
  511    HE2  PHE  64           2HE      PHE  64 -12.904   7.583  -5.799
  512    HZ   PHE  64           HZ       PHE  64 -12.196   7.980  -3.473
  513    HA   PRO  65           HA       PRO  65  -7.697   0.253  -8.567
  514   1HB   PRO  65          2HB       PRO  65  -8.902   1.036 -11.095
  515   2HB   PRO  65          1HB       PRO  65  -9.054  -0.487 -10.222
  516   1HG   PRO  65          2HG       PRO  65 -11.105   1.281 -10.503
  517   2HG   PRO  65          1HG       PRO  65 -10.949   0.178  -9.126
  518   1HD   PRO  65          2HD       PRO  65 -10.291   3.091  -9.307
  519   2HD   PRO  65          1HD       PRO  65 -11.040   2.183  -7.977
  520    H    TYR  66           H        TYR  66  -5.647   0.922  -8.714
  521    HA   TYR  66           HA       TYR  66  -4.658   3.362  -9.447
  522   1HB   TYR  66          2HB       TYR  66  -3.265   1.687  -8.393
  523   2HB   TYR  66          1HB       TYR  66  -3.365   0.653  -9.814
  524    HD1  TYR  66           1HD      TYR  66  -2.060   3.897  -8.582
  525    HD2  TYR  66           2HD      TYR  66  -1.858   0.916 -11.611
  526    HE1  TYR  66           1HE      TYR  66  -0.055   4.978  -9.504
  527    HE2  TYR  66           2HE      TYR  66   0.147   1.989 -12.543
  528    HH   TYR  66           HH       TYR  66   1.978   3.496 -11.728
  529    H    GLU  67           H        GLU  67  -4.733   0.528 -11.618
  530    HA   GLU  67           HA       GLU  67  -3.774   1.694 -13.907
  531   1HB   GLU  67          2HB       GLU  67  -5.275  -0.671 -13.247
  532   2HB   GLU  67          1HB       GLU  67  -5.846  -0.011 -14.773
  533   1HG   GLU  67          2HG       GLU  67  -4.036  -0.700 -15.855
  534   2HG   GLU  67          1HG       GLU  67  -2.956  -0.036 -14.629
  535    H    GLU  68           H        GLU  68  -7.118   1.726 -12.769
  536    HA   GLU  68           HA       GLU  68  -8.165   3.081 -15.023
  537   1HB   GLU  68          2HB       GLU  68  -9.170   2.281 -12.361
  538   2HB   GLU  68          1HB       GLU  68 -10.011   3.609 -13.143
  539   1HG   GLU  68          2HG       GLU  68  -9.481   1.123 -14.691
  540   2HG   GLU  68          1HG       GLU  68 -10.777   1.137 -13.496
  541    H    SER  69           H        SER  69  -6.999   4.215 -11.881
  542    HA   SER  69           HA       SER  69  -7.580   6.967 -12.751
  543   1HB   SER  69          2HB       SER  69  -7.111   5.780 -10.019
  544   2HB   SER  69          1HB       SER  69  -7.155   7.519 -10.311
  545    HG   SER  69           HG       SER  69  -9.275   7.269 -11.094
  546    H    LYS  70           H        LYS  70  -5.099   5.026 -13.191
  547    HA   LYS  70           HA       LYS  70  -2.888   6.194 -11.972
  548   1HB   LYS  70          2HB       LYS  70  -1.549   5.093 -13.579
  549   2HB   LYS  70          1HB       LYS  70  -2.955   4.065 -13.348
  550   1HG   LYS  70          2HG       LYS  70  -3.907   4.800 -15.421
  551   2HG   LYS  70          1HG       LYS  70  -2.640   6.010 -15.623
  552   1HD   LYS  70          2HD       LYS  70  -1.597   4.457 -16.852
  553   2HD   LYS  70          1HD       LYS  70  -1.196   3.706 -15.306
  554   1HE   LYS  70          2HE       LYS  70  -2.744   2.051 -15.553
  555   2HE   LYS  70          1HE       LYS  70  -3.832   3.062 -16.502
  556   1HZ   LYS  70          1HZ       LYS  70  -2.879   1.339 -17.870
  557   2HZ   LYS  70          2HZ       LYS  70  -1.310   1.822 -17.462
  558   3HZ   LYS  70          3HZ       LYS  70  -2.298   2.845 -18.378
  559    H    GLU  71           H        GLU  71  -4.412   6.996 -15.070
  560    HA   GLU  71           HA       GLU  71  -2.642   9.159 -15.634
  561   1HB   GLU  71          2HB       GLU  71  -5.191   8.137 -16.817
  562   2HB   GLU  71          1HB       GLU  71  -4.605   9.728 -17.281
  563   1HG   GLU  71          2HG       GLU  71  -2.761   7.389 -17.408
  564   2HG   GLU  71          1HG       GLU  71  -3.967   7.623 -18.673
  565    H    LYS  72           H        LYS  72  -5.455   8.843 -13.671
  566    HA   LYS  72           HA       LYS  72  -6.161  11.639 -13.782
  567   1HB   LYS  72          2HB       LYS  72  -7.576   9.387 -13.240
  568   2HB   LYS  72          1HB       LYS  72  -7.256   9.969 -11.613
  569   1HG   LYS  72          2HG       LYS  72  -8.274  12.101 -12.147
  570   2HG   LYS  72          1HG       LYS  72  -8.537  11.578 -13.812
  571   1HD   LYS  72          2HD       LYS  72  -9.946   9.717 -12.928
  572   2HD   LYS  72          1HD       LYS  72  -9.784  10.425 -11.319
  573   1HE   LYS  72          2HE       LYS  72 -11.696  11.479 -11.884
  574   2HE   LYS  72          1HE       LYS  72 -10.594  12.585 -12.705
  575   1HZ   LYS  72          1HZ       LYS  72 -11.930  12.129 -14.441
  576   2HZ   LYS  72          2HZ       LYS  72 -12.444  10.642 -13.821
  577   3HZ   LYS  72          3HZ       LYS  72 -10.947  10.761 -14.598
  578    H    PHE  73           H        PHE  73  -4.848   9.440 -11.303
  579    HA   PHE  73           HA       PHE  73  -4.127  11.796  -9.696
  580   1HB   PHE  73          2HB       PHE  73  -4.072   8.917  -8.799
  581   2HB   PHE  73          1HB       PHE  73  -4.034  10.361  -7.795
  582    HD1  PHE  73           1HD      PHE  73  -5.965   7.817  -8.005
  583    HD2  PHE  73           2HD      PHE  73  -6.223  11.920  -9.109
  584    HE1  PHE  73           1HE      PHE  73  -8.412   7.719  -7.782
  585    HE2  PHE  73           2HE      PHE  73  -8.672  11.827  -8.887
  586    HZ   PHE  73           HZ       PHE  73  -9.770   9.726  -8.222
  587    H    GLY  74           H        GLY  74  -2.668   9.748 -11.893
  588   1HA   GLY  74          2HA       GLY  74  -0.166   9.404 -10.510
  589   2HA   GLY  74          1HA       GLY  74  -0.491   9.018 -12.191
  590    H    LYS  75           H        LYS  75  -0.028  11.820 -10.022
  591    HA   LYS  75           HA       LYS  75   1.756  12.989 -11.986
  592   1HB   LYS  75          2HB       LYS  75  -0.841  14.242 -11.128
  593   2HB   LYS  75          1HB       LYS  75   0.512  15.227 -11.667
  594   1HG   LYS  75          2HG       LYS  75   0.278  13.300 -13.635
  595   2HG   LYS  75          1HG       LYS  75  -1.391  13.679 -13.207
  596   1HD   LYS  75          2HD       LYS  75  -0.217  16.160 -13.319
  597   2HD   LYS  75          1HD       LYS  75   0.599  15.287 -14.618
  598   1HE   LYS  75          2HE       LYS  75  -2.297  14.867 -14.531
  599   2HE   LYS  75          1HE       LYS  75  -1.825  16.540 -14.824
  600   1HZ   LYS  75          1HZ       LYS  75  -0.421  14.505 -16.361
  601   2HZ   LYS  75          2HZ       LYS  75  -0.956  16.039 -16.831
  602   3HZ   LYS  75          3HZ       LYS  75  -2.049  14.750 -16.754
  603    HA   PRO  76           HA       PRO  76   4.107  14.206  -8.476
  604   1HB   PRO  76          2HB       PRO  76   4.384  16.875  -9.762
  605   2HB   PRO  76          1HB       PRO  76   5.634  15.764  -9.195
  606   1HG   PRO  76          2HG       PRO  76   5.139  16.040 -11.797
  607   2HG   PRO  76          1HG       PRO  76   5.521  14.452 -11.105
  608   1HD   PRO  76          2HD       PRO  76   2.883  15.567 -11.956
  609   2HD   PRO  76          1HD       PRO  76   3.510  13.913 -12.101
  610    H    ASN  77           H        ASN  77   4.075  15.510  -6.612
  611    HA   ASN  77           HA       ASN  77   1.885  17.452  -6.404
  612   1HB   ASN  77          2HB       ASN  77   1.019  16.492  -4.372
  613   2HB   ASN  77          1HB       ASN  77   1.043  15.246  -5.615
  614   1HD2  ASN  77          1HD2      ASN  77   0.811  14.394  -3.138
  615   2HD2  ASN  77          2HD2      ASN  77   2.281  13.700  -2.556
  616    H    LYS  78           H        LYS  78   1.988  18.147  -3.817
  617    HA   LYS  78           HA       LYS  78   4.657  19.329  -3.626
  618   1HB   LYS  78          2HB       LYS  78   1.944  20.193  -2.959
  619   2HB   LYS  78          1HB       LYS  78   3.118  20.557  -1.701
  620   1HG   LYS  78          2HG       LYS  78   3.700  21.252  -4.547
  621   2HG   LYS  78          1HG       LYS  78   2.666  22.289  -3.562
  622   1HD   LYS  78          2HD       LYS  78   4.692  21.978  -1.852
  623   2HD   LYS  78          1HD       LYS  78   5.575  21.762  -3.365
  624   1HE   LYS  78          2HE       LYS  78   3.742  24.093  -2.855
  625   2HE   LYS  78          1HE       LYS  78   5.461  24.122  -2.463
  626   1HZ   LYS  78          1HZ       LYS  78   6.048  24.224  -4.631
  627   2HZ   LYS  78          2HZ       LYS  78   4.520  24.931  -4.786
  628   3HZ   LYS  78          3HZ       LYS  78   4.737  23.297  -5.163
  629    H    ARG  79           H        ARG  79   2.808  16.871  -2.152
  630    HA   ARG  79           HA       ARG  79   3.772  17.118   0.499
  631   1HB   ARG  79          2HB       ARG  79   2.747  14.695  -0.981
  632   2HB   ARG  79          1HB       ARG  79   3.042  14.760   0.750
  633   1HG   ARG  79          2HG       ARG  79   1.104  16.549  -0.698
  634   2HG   ARG  79          1HG       ARG  79   0.661  15.041   0.105
  635   1HD   ARG  79          2HD       ARG  79   1.179  15.887   2.227
  636   2HD   ARG  79          1HD       ARG  79   2.119  17.221   1.563
  637    HE   ARG  79           HE       ARG  79  -0.762  17.089   1.863
  638   1HH1  ARG  79          1HH1      ARG  79   1.957  18.749   0.429
  639   2HH1  ARG  79          2HH1      ARG  79   1.076  20.215   0.161
  640   1HH2  ARG  79          1HH2      ARG  79  -1.917  19.017   1.506
  641   2HH2  ARG  79          2HH2      ARG  79  -1.121  20.368   0.771
  642    H    LYS  80           H        LYS  80   5.254  16.217  -2.379
  643    HA   LYS  80           HA       LYS  80   7.305  15.425  -2.904
  644   1HB   LYS  80          2HB       LYS  80   7.878  15.895   0.027
  645   2HB   LYS  80          1HB       LYS  80   9.086  15.594  -1.215
  646   1HG   LYS  80          2HG       LYS  80   7.338  18.001  -0.852
  647   2HG   LYS  80          1HG       LYS  80   9.100  17.910  -0.905
  648   1HD   LYS  80          2HD       LYS  80   7.270  17.336  -3.243
  649   2HD   LYS  80          1HD       LYS  80   8.110  18.865  -2.969
  650   1HE   LYS  80          2HE       LYS  80  10.212  17.915  -3.333
  651   2HE   LYS  80          1HE       LYS  80   9.613  16.275  -3.094
  652   1HZ   LYS  80          1HZ       LYS  80   8.540  17.851  -5.321
  653   2HZ   LYS  80          2HZ       LYS  80   8.762  16.179  -5.196
  654   3HZ   LYS  80          3HZ       LYS  80  10.090  17.188  -5.475
  655    H    GLY  81           H        GLY  81   8.320  13.477  -3.081
  656   1HA   GLY  81          2HA       GLY  81   8.843  11.259  -2.473
  657   2HA   GLY  81          1HA       GLY  81   7.725  11.392  -1.122
  658    H    PHE  82           H        PHE  82   5.794  12.630  -3.259
  659    HA   PHE  82           HA       PHE  82   4.195  10.378  -3.638
  660   1HB   PHE  82          2HB       PHE  82   3.388  12.700  -3.784
  661   2HB   PHE  82          1HB       PHE  82   4.285  12.918  -5.282
  662    HD1  PHE  82           1HD      PHE  82   3.637  11.585  -7.293
  663    HD2  PHE  82           2HD      PHE  82   1.265  11.710  -3.763
  664    HE1  PHE  82           1HE      PHE  82   1.706  10.753  -8.567
  665    HE2  PHE  82           2HE      PHE  82  -0.669  10.879  -5.029
  666    HZ   PHE  82           HZ       PHE  82  -0.453  10.394  -7.433
  667    H    SER  83           H        SER  83   6.121  12.097  -6.093
  668    HA   SER  83           HA       SER  83   5.752  10.362  -8.205
  669   1HB   SER  83          2HB       SER  83   8.445  11.604  -7.786
  670   2HB   SER  83          1HB       SER  83   7.508  11.443  -9.271
  671    HG   SER  83           HG       SER  83   6.003  12.968  -8.235
  672    H    GLU  84           H        GLU  84   8.270  10.219  -5.696
  673    HA   GLU  84           HA       GLU  84   9.784   8.118  -6.615
  674   1HB   GLU  84          2HB       GLU  84  10.067   9.523  -4.480
  675   2HB   GLU  84          1HB       GLU  84   9.002   8.352  -3.716
  676   1HG   GLU  84          2HG       GLU  84  10.555   6.571  -4.177
  677   2HG   GLU  84          1HG       GLU  84  11.596   7.671  -5.080
  678    H    GLY  85           H        GLY  85   6.600   8.052  -5.156
  679   1HA   GLY  85          2HA       GLY  85   6.525   5.219  -4.766
  680   2HA   GLY  85          1HA       GLY  85   5.149   6.315  -4.723
  681    H    LEU  86           H        LEU  86   5.700   7.397  -7.378
  682    HA   LEU  86           HA       LEU  86   4.119   5.664  -8.916
  683   1HB   LEU  86          2HB       LEU  86   5.982   7.866  -9.812
  684   2HB   LEU  86          1HB       LEU  86   4.785   7.094 -10.834
  685    HG   LEU  86           HG       LEU  86   4.108   8.623  -8.322
  686   1HD1  LEU  86          1HD1      LEU  86   3.418   9.740 -10.954
  687   2HD1  LEU  86          2HD1      LEU  86   5.131   9.775 -10.536
  688   3HD1  LEU  86          3HD1      LEU  86   3.949  10.546  -9.479
  689   1HD2  LEU  86          1HD2      LEU  86   1.943   8.154  -8.725
  690   2HD2  LEU  86          2HD2      LEU  86   2.608   6.772  -9.596
  691   3HD2  LEU  86          3HD2      LEU  86   2.142   8.229 -10.476
  692    H    TRP  87           H        TRP  87   7.613   6.184  -8.834
  693    HA   TRP  87           HA       TRP  87   8.291   4.450 -10.956
  694   1HB   TRP  87          2HB       TRP  87   9.870   6.098 -10.112
  695   2HB   TRP  87          1HB       TRP  87   9.892   5.318  -8.533
  696    HD1  TRP  87           HD       TRP  87  11.429   5.119 -11.977
  697    HE1  TRP  87           1HE      TRP  87  13.219   3.273 -12.010
  698    HE3  TRP  87           3HE      TRP  87  10.464   2.983  -7.438
  699    HZ2  TRP  87           2HZ      TRP  87  14.101   1.177 -10.329
  700    HZ3  TRP  87           3HZ      TRP  87  11.823   1.062  -6.722
  701    HH2  TRP  87           HH       TRP  87  13.604   0.177  -8.140
  702    H    GLU  88           H        GLU  88   8.005   3.903  -7.448
  703    HA   GLU  88           HA       GLU  88   8.959   1.262  -7.433
  704   1HB   GLU  88          2HB       GLU  88   7.226   2.869  -5.591
  705   2HB   GLU  88          1HB       GLU  88   7.450   1.151  -5.301
  706   1HG   GLU  88          2HG       GLU  88   9.731   3.082  -5.592
  707   2HG   GLU  88          1HG       GLU  88   8.986   2.684  -4.046
  708    H    ILE  89           H        ILE  89   5.589   2.449  -7.482
  709    HA   ILE  89           HA       ILE  89   4.293   0.020  -7.511
  710    HB   ILE  89           HB       ILE  89   3.185   2.211  -7.302
  711   1HG1  ILE  89          2HG1      ILE  89   1.543   1.319  -9.456
  712   2HG1  ILE  89          1HG1      ILE  89   2.248  -0.095  -8.676
  713   1HG2  ILE  89          1HG2      ILE  89   2.502   3.167  -9.662
  714   2HG2  ILE  89          2HG2      ILE  89   4.052   2.466 -10.128
  715   3HG2  ILE  89          3HG2      ILE  89   3.981   3.675  -8.846
  716   1HD1  ILE  89          1HD1      ILE  89   0.145   1.642  -7.774
  717   2HD1  ILE  89          2HD1      ILE  89   1.449   1.547  -6.589
  718   3HD1  ILE  89          3HD1      ILE  89   0.658   0.073  -7.151
  719    H    GLU  90           H        GLU  90   6.095   1.528 -10.058
  720    HA   GLU  90           HA       GLU  90   5.056  -0.377 -12.022
  721   1HB   GLU  90          2HB       GLU  90   5.835   2.328 -12.170
  722   2HB   GLU  90          1HB       GLU  90   7.012   1.423 -13.112
  723   1HG   GLU  90          2HG       GLU  90   4.038   1.165 -13.465
  724   2HG   GLU  90          1HG       GLU  90   5.049   2.270 -14.396
  725    H    ASN  91           H        ASN  91   8.163   0.708 -10.657
  726    HA   ASN  91           HA       ASN  91   9.637  -1.278 -12.125
  727   1HB   ASN  91          2HB       ASN  91  10.307   0.897 -10.210
  728   2HB   ASN  91          1HB       ASN  91  11.461  -0.421 -10.384
  729   1HD2  ASN  91          1HD2      ASN  91   9.349   0.939 -12.856
  730   2HD2  ASN  91          2HD2      ASN  91  10.618   1.519 -13.874
  731    H    ASN  92           H        ASN  92   8.358  -0.975  -8.864
  732    HA   ASN  92           HA       ASN  92   8.807  -3.795  -8.435
  733   1HB   ASN  92          2HB       ASN  92  10.929  -2.499  -7.722
  734   2HB   ASN  92          1HB       ASN  92   9.952  -1.934  -6.369
  735   1HD2  ASN  92          1HD2      ASN  92  11.810  -3.112  -5.304
  736   2HD2  ASN  92          2HD2      ASN  92  11.555  -4.782  -4.940
  737    HA   PRO  93           HA       PRO  93   4.972  -2.283  -6.442
  738   1HB   PRO  93          2HB       PRO  93   3.397  -4.320  -7.210
  739   2HB   PRO  93          1HB       PRO  93   3.793  -2.982  -8.297
  740   1HG   PRO  93          2HG       PRO  93   4.969  -5.731  -8.169
  741   2HG   PRO  93          1HG       PRO  93   4.522  -4.770  -9.590
  742   1HD   PRO  93          2HD       PRO  93   7.084  -5.002  -8.647
  743   2HD   PRO  93          1HD       PRO  93   6.494  -3.607  -9.572
  744    H    THR  94           H        THR  94   6.912  -5.085  -6.067
  745    HA   THR  94           HA       THR  94   5.398  -5.904  -3.685
  746    HB   THR  94           HB       THR  94   6.564  -8.029  -3.827
  747    HG1  THR  94           1HG      THR  94   7.963  -6.794  -5.954
  748   1HG2  THR  94          1HG2      THR  94   6.054  -8.402  -6.472
  749   2HG2  THR  94          2HG2      THR  94   5.023  -7.024  -6.089
  750   3HG2  THR  94          3HG2      THR  94   4.864  -8.525  -5.176
  751    H    VAL  95           H        VAL  95   7.578  -3.705  -4.147
  752    HA   VAL  95           HA       VAL  95   9.832  -4.460  -2.633
  753    HB   VAL  95           HB       VAL  95   9.835  -2.514  -4.130
  754   1HG1  VAL  95          1HG1      VAL  95   8.841  -0.368  -3.149
  755   2HG1  VAL  95          2HG1      VAL  95   7.873  -1.436  -2.134
  756   3HG1  VAL  95          3HG1      VAL  95   7.734  -1.522  -3.890
  757   1HG2  VAL  95          1HG2      VAL  95  11.506  -2.673  -2.354
  758   2HG2  VAL  95          2HG2      VAL  95  10.431  -1.805  -1.258
  759   3HG2  VAL  95          3HG2      VAL  95  11.082  -0.993  -2.682
  760    H    LYS  96           H        LYS  96  10.429  -3.912  -0.505
  761    HA   LYS  96           HA       LYS  96   8.240  -3.171   1.311
  762   1HB   LYS  96          2HB       LYS  96  10.058  -5.562   1.512
  763   2HB   LYS  96          1HB       LYS  96   9.268  -4.886   2.930
  764   1HG   LYS  96          2HG       LYS  96   7.114  -5.131   1.445
  765   2HG   LYS  96          1HG       LYS  96   8.099  -6.341   0.618
  766   1HD   LYS  96          2HD       LYS  96   7.988  -7.785   2.341
  767   2HD   LYS  96          1HD       LYS  96   8.153  -6.510   3.549
  768   1HE   LYS  96          2HE       LYS  96   5.625  -7.019   1.993
  769   2HE   LYS  96          1HE       LYS  96   5.958  -7.733   3.570
  770   1HZ   LYS  96          1HZ       LYS  96   5.771  -4.831   2.965
  771   2HZ   LYS  96          2HZ       LYS  96   6.168  -5.482   4.475
  772   3HZ   LYS  96          3HZ       LYS  96   4.634  -5.752   3.815
  773    H    ALA  97           H        ALA  97   9.055  -2.551   3.500
  774    HA   ALA  97           HA       ALA  97  11.695  -1.253   3.284
  775   1HB   ALA  97          1HB       ALA  97  10.702   0.425   4.931
  776   2HB   ALA  97          2HB       ALA  97   9.135  -0.263   4.502
  777   3HB   ALA  97          3HB       ALA  97  10.135   0.497   3.263
  778    H    SER  98           H        SER  98  12.565  -0.655   5.535
  779    HA   SER  98           HA       SER  98  13.430  -1.343   7.520
  780   1HB   SER  98          2HB       SER  98  10.621  -2.367   7.660
  781   2HB   SER  98          1HB       SER  98  11.770  -2.855   8.905
  782    HG   SER  98           HG       SER  98  11.098  -0.193   8.182
  783    H    GLY  99           H        GLY  99  14.548  -3.080   8.491
  784   1HA   GLY  99          2HA       GLY  99  14.374  -5.733   8.271
  785   2HA   GLY  99          1HA       GLY  99  14.967  -5.312   6.672
  786    H    TYR 100           H        TYR 100  16.008  -6.583   9.373
  787    HA   TYR 100           HA       TYR 100  18.700  -5.494   9.041
  788   1HB   TYR 100          2HB       TYR 100  17.089  -4.798  11.224
  789   2HB   TYR 100          1HB       TYR 100  18.188  -6.026  11.844
  790    HD1  TYR 100           1HD      TYR 100  17.774  -2.598  11.189
  791    HD2  TYR 100           2HD      TYR 100  20.716  -5.669  11.225
  792    HE1  TYR 100           1HE      TYR 100  19.535  -0.900  11.396
  793    HE2  TYR 100           2HE      TYR 100  22.487  -3.979  11.433
  794    HH   TYR 100           HH       TYR 100  21.827  -0.703  12.157
  795    H    GLN 101           H        GLN 101  20.365  -6.939   9.572
  796    HA   GLN 101           HA       GLN 101  19.605  -9.614  10.462
  797   1HB   GLN 101          2HB       GLN 101  20.301  -8.920   7.735
  798   2HB   GLN 101          1HB       GLN 101  21.423 -10.101   8.395
  799   1HG   GLN 101          2HG       GLN 101  19.286 -11.349   9.147
  800   2HG   GLN 101          1HG       GLN 101  18.482 -10.338   7.947
  801   1HE2  GLN 101          1HE2      GLN 101  18.091 -12.642   7.180
  802   2HE2  GLN 101          2HE2      GLN 101  19.229 -13.270   6.041
  803    H    SER 102           H        SER 102  20.967 -10.287  11.964
  804    HA   SER 102           HA       SER 102  22.902 -10.721  13.096
  805   1HB   SER 102          2HB       SER 102  24.474  -9.104  11.101
  806   2HB   SER 102          1HB       SER 102  25.016 -10.457  12.094
  807    HG   SER 102           HG       SER 102  23.516 -10.462   9.733
  808    H    SER 103           H        SER 103  21.522  -7.765  12.622
  809    HA   SER 103           HA       SER 103  21.621  -5.746  13.668
  810   1HB   SER 103          2HB       SER 103  22.690  -7.617  15.773
  811   2HB   SER 103          1HB       SER 103  22.497  -5.892  16.089
  812    HG   SER 103           HG       SER 103  20.405  -7.527  15.105
  813    H    GLN 104           H        GLN 104  23.202  -4.237  14.996
  814    HA   GLN 104           HA       GLN 104  25.039  -2.900  14.812
  815   1HB   GLN 104          2HB       GLN 104  26.305  -5.639  14.825
  816   2HB   GLN 104          1HB       GLN 104  27.239  -4.152  14.912
  817   1HG   GLN 104          2HG       GLN 104  26.627  -3.724  17.049
  818   2HG   GLN 104          1HG       GLN 104  25.039  -4.468  16.861
  819   1HE2  GLN 104          1HE2      GLN 104  26.840  -4.836  19.037
  820   2HE2  GLN 104          2HE2      GLN 104  27.271  -6.508  19.075
  821    H    LYS 105           H        LYS 105  27.297  -2.771  13.491
  822    HA   LYS 105           HA       LYS 105  27.080  -3.703  10.775
  823   1HB   LYS 105          2HB       LYS 105  27.178  -1.313   9.876
  824   2HB   LYS 105          1HB       LYS 105  25.619  -1.890  10.448
  825   1HG   LYS 105          2HG       LYS 105  26.787  -0.736  12.685
  826   2HG   LYS 105          1HG       LYS 105  27.210   0.343  11.355
  827   1HD   LYS 105          2HD       LYS 105  24.405  -0.639  11.571
  828   2HD   LYS 105          1HD       LYS 105  24.948   0.627  12.672
  829   1HE   LYS 105          2HE       LYS 105  25.560   0.942   9.784
  830   2HE   LYS 105          1HE       LYS 105  23.889   1.171  10.299
  831   1HZ   LYS 105          1HZ       LYS 105  24.386   3.078  11.345
  832   2HZ   LYS 105          2HZ       LYS 105  25.737   3.095  10.328
  833   3HZ   LYS 105          3HZ       LYS 105  25.879   2.522  11.914
  834    H    LYS 106           H        LYS 106  28.641  -1.398  12.976
  835    HA   LYS 106           HA       LYS 106  31.101  -1.386  11.502
  836   1HB   LYS 106          2HB       LYS 106  29.951   0.096  13.657
  837   2HB   LYS 106          1HB       LYS 106  31.522  -0.499  14.173
  838   1HG   LYS 106          2HG       LYS 106  31.198   0.871  11.534
  839   2HG   LYS 106          1HG       LYS 106  31.376   1.796  13.027
  840   1HD   LYS 106          2HD       LYS 106  33.454   0.402  13.467
  841   2HD   LYS 106          1HD       LYS 106  33.316  -0.145  11.794
  842   1HE   LYS 106          2HE       LYS 106  33.178   2.772  12.235
  843   2HE   LYS 106          1HE       LYS 106  34.738   2.011  12.544
  844   1HZ   LYS 106          1HZ       LYS 106  35.049   1.565  10.374
  845   2HZ   LYS 106          2HZ       LYS 106  33.965   2.843  10.145
  846   3HZ   LYS 106          3HZ       LYS 106  33.416   1.245  10.073
  847    H    SER 107           H        SER 107  30.051  -2.786  14.599
  848    HA   SER 107           HA       SER 107  30.866  -4.498  15.854
  849   1HB   SER 107          2HB       SER 107  31.518  -6.445  14.732
  850   2HB   SER 107          1HB       SER 107  30.558  -5.599  13.520
  851    HG   SER 107           HG       SER 107  33.245  -6.182  13.552
  852    H    CYS 108           H        CYS 108  33.018  -5.723  16.400
  853    HA   CYS 108           HA       CYS 108  35.244  -3.802  16.217
  854   1HB   CYS 108          2HB       CYS 108  34.013  -5.093  18.586
  855   2HB   CYS 108          1HB       CYS 108  35.770  -4.986  18.575
  856    HG   CYS 108           HG       CYS 108  34.476  -2.861  19.673
  857    H    ALA 109           H        ALA 109  36.234  -4.942  14.544
  858    HA   ALA 109           HA       ALA 109  37.725  -6.420  13.665
  859   1HB   ALA 109          1HB       ALA 109  38.177  -8.053  16.035
  860   2HB   ALA 109          2HB       ALA 109  38.377  -6.325  16.332
  861   3HB   ALA 109          3HB       ALA 109  39.317  -7.118  15.067
  862    H    GLU 110           H        GLU 110  36.234  -8.463  16.173
  863    HA   GLU 110           HA       GLU 110  35.054 -10.404  16.052
  864   1HB   GLU 110          2HB       GLU 110  33.451  -8.938  14.846
  865   2HB   GLU 110          1HB       GLU 110  34.222  -9.384  13.331
  866   1HG   GLU 110          2HG       GLU 110  32.752 -11.033  13.191
  867   2HG   GLU 110          1HG       GLU 110  33.623 -11.812  14.511
  Start of MODEL   14
    1   1H    MET   1          1HT       MET   1 -27.990   4.174  -9.253
    2   2H    MET   1          2HT       MET   1 -27.670   5.270 -10.533
    3   3H    MET   1          3HT       MET   1 -28.299   3.710 -10.875
    4    HA   MET   1           HA       MET   1 -29.616   6.118 -10.103
    5   1HB   MET   1          2HB       MET   1 -29.924   4.740 -12.189
    6   2HB   MET   1          1HB       MET   1 -30.654   3.494 -11.188
    7   1HG   MET   1          2HG       MET   1 -32.423   4.714 -12.155
    8   2HG   MET   1          1HG       MET   1 -32.341   5.199 -10.464
    9   1HE   MET   1          1HE       MET   1 -32.836   8.142 -10.195
   10   2HE   MET   1          2HE       MET   1 -31.147   8.635 -10.315
   11   3HE   MET   1          3HE       MET   1 -31.566   7.102  -9.549
   12    H    SER   2           H        SER   2 -30.318   6.479  -8.105
   13    HA   SER   2           HA       SER   2 -31.318   6.204  -6.082
   14   1HB   SER   2          2HB       SER   2 -32.475   3.667  -7.260
   15   2HB   SER   2          1HB       SER   2 -33.094   4.568  -5.876
   16    HG   SER   2           HG       SER   2 -33.350   6.360  -7.404
   17    H    ARG   3           H        ARG   3 -29.675   5.873  -4.685
   18    HA   ARG   3           HA       ARG   3 -28.277   4.800  -3.248
   19   1HB   ARG   3          2HB       ARG   3 -30.528   3.554  -2.885
   20   2HB   ARG   3          1HB       ARG   3 -29.759   2.240  -3.765
   21   1HG   ARG   3          2HG       ARG   3 -28.966   1.565  -1.805
   22   2HG   ARG   3          1HG       ARG   3 -27.870   2.944  -1.884
   23   1HD   ARG   3          2HD       ARG   3 -28.807   3.695  -0.016
   24   2HD   ARG   3          1HD       ARG   3 -30.278   3.988  -0.940
   25    HE   ARG   3           HE       ARG   3 -29.734   1.725   0.822
   26   1HH1  ARG   3          1HH1      ARG   3 -31.914   3.289  -1.421
   27   2HH1  ARG   3          2HH1      ARG   3 -33.287   2.367  -0.915
   28   1HH2  ARG   3          1HH2      ARG   3 -31.543   0.514   1.477
   29   2HH2  ARG   3          2HH2      ARG   3 -33.079   0.794   0.727
   30    H    SER   4           H        SER   4 -26.484   5.001  -4.637
   31    HA   SER   4           HA       SER   4 -25.652   2.457  -5.862
   32   1HB   SER   4          2HB       SER   4 -24.327   4.127  -7.450
   33   2HB   SER   4          1HB       SER   4 -25.984   3.641  -7.808
   34    HG   SER   4           HG       SER   4 -24.985   6.093  -7.080
   35    H    ASN   5           H        ASN   5 -24.039   1.704  -4.662
   36    HA   ASN   5           HA       ASN   5 -22.083   3.614  -3.569
   37   1HB   ASN   5          2HB       ASN   5 -21.528   1.744  -1.966
   38   2HB   ASN   5          1HB       ASN   5 -23.139   2.433  -1.784
   39   1HD2  ASN   5          1HD2      ASN   5 -24.561   0.932  -1.326
   40   2HD2  ASN   5          2HD2      ASN   5 -24.619  -0.661  -1.990
   41    H    ARG   6           H        ARG   6 -22.510   0.800  -5.563
   42    HA   ARG   6           HA       ARG   6 -21.102  -0.342  -6.935
   43   1HB   ARG   6          2HB       ARG   6 -20.005   2.347  -6.774
   44   2HB   ARG   6          1HB       ARG   6 -18.753   1.150  -7.073
   45   1HG   ARG   6          2HG       ARG   6 -19.632   0.538  -9.110
   46   2HG   ARG   6          1HG       ARG   6 -21.253   1.102  -8.698
   47   1HD   ARG   6          2HD       ARG   6 -20.494   3.414  -8.828
   48   2HD   ARG   6          1HD       ARG   6 -18.858   2.868  -9.195
   49    HE   ARG   6           HE       ARG   6 -20.332   1.724 -11.147
   50   1HH1  ARG   6          1HH1      ARG   6 -20.080   4.999  -9.972
   51   2HH1  ARG   6          2HH1      ARG   6 -20.444   5.712 -11.506
   52   1HH2  ARG   6          1HH2      ARG   6 -20.810   2.659 -13.169
   53   2HH2  ARG   6          2HH2      ARG   6 -20.860   4.384 -13.323
   54    H    GLN   7           H        GLN   7 -20.764  -2.072  -5.553
   55    HA   GLN   7           HA       GLN   7 -18.714  -1.989  -3.537
   56   1HB   GLN   7          2HB       GLN   7 -20.763  -3.910  -4.443
   57   2HB   GLN   7          1HB       GLN   7 -19.298  -4.630  -3.787
   58   1HG   GLN   7          2HG       GLN   7 -19.587  -3.263  -1.749
   59   2HG   GLN   7          1HG       GLN   7 -21.109  -2.664  -2.406
   60   1HE2  GLN   7          1HE2      GLN   7 -19.422  -5.682  -1.642
   61   2HE2  GLN   7          2HE2      GLN   7 -20.828  -6.540  -1.121
   62    H    LYS   8           H        LYS   8 -16.887  -3.447  -3.477
   63    HA   LYS   8           HA       LYS   8 -15.960  -4.878  -5.715
   64   1HB   LYS   8          2HB       LYS   8 -15.772  -2.442  -6.499
   65   2HB   LYS   8          1HB       LYS   8 -14.467  -2.292  -5.332
   66   1HG   LYS   8          2HG       LYS   8 -13.836  -4.584  -6.753
   67   2HG   LYS   8          1HG       LYS   8 -14.466  -3.474  -7.971
   68   1HD   LYS   8          2HD       LYS   8 -12.779  -1.952  -7.655
   69   2HD   LYS   8          1HD       LYS   8 -12.512  -2.436  -5.979
   70   1HE   LYS   8          2HE       LYS   8 -10.746  -3.581  -6.709
   71   2HE   LYS   8          1HE       LYS   8 -11.889  -4.705  -7.444
   72   1HZ   LYS   8          1HZ       LYS   8 -10.021  -3.454  -8.826
   73   2HZ   LYS   8          2HZ       LYS   8 -11.253  -2.303  -8.966
   74   3HZ   LYS   8          3HZ       LYS   8 -11.511  -3.887  -9.500
   75    H    GLU   9           H        GLU   9 -14.641  -6.360  -4.892
   76    HA   GLU   9           HA       GLU   9 -13.383  -5.847  -2.303
   77   1HB   GLU   9          2HB       GLU   9 -13.658  -8.434  -3.843
   78   2HB   GLU   9          1HB       GLU   9 -13.041  -8.270  -2.205
   79   1HG   GLU   9          2HG       GLU   9 -15.138  -7.761  -1.335
   80   2HG   GLU   9          1HG       GLU   9 -15.795  -7.338  -2.915
   81    H    TYR  10           H        TYR  10 -11.193  -6.012  -1.940
   82    HA   TYR  10           HA       TYR  10  -9.510  -6.032  -4.363
   83   1HB   TYR  10          2HB       TYR  10  -9.140  -4.683  -1.684
   84   2HB   TYR  10          1HB       TYR  10  -7.855  -4.807  -2.880
   85    HD1  TYR  10           1HD      TYR  10  -8.226  -3.755  -5.158
   86    HD2  TYR  10           2HD      TYR  10 -10.760  -2.986  -1.830
   87    HE1  TYR  10           1HE      TYR  10  -9.065  -1.729  -6.272
   88    HE2  TYR  10           2HE      TYR  10 -11.607  -0.957  -2.934
   89    HH   TYR  10           HH       TYR  10 -11.808  -0.159  -5.413
   90    H    LYS  11           H        LYS  11  -7.407  -7.046  -4.220
   91    HA   LYS  11           HA       LYS  11  -7.188  -9.052  -2.085
   92   1HB   LYS  11          2HB       LYS  11  -6.996  -9.475  -5.057
   93   2HB   LYS  11          1HB       LYS  11  -6.247 -10.587  -3.921
   94   1HG   LYS  11          2HG       LYS  11  -8.970 -10.089  -3.162
   95   2HG   LYS  11          1HG       LYS  11  -8.886 -10.603  -4.848
   96   1HD   LYS  11          2HD       LYS  11  -7.192 -12.375  -3.765
   97   2HD   LYS  11          1HD       LYS  11  -8.232 -12.084  -2.370
   98   1HE   LYS  11          2HE       LYS  11 -10.158 -12.433  -4.098
   99   2HE   LYS  11          1HE       LYS  11  -8.910 -13.253  -5.034
  100   1HZ   LYS  11          1HZ       LYS  11  -9.965 -14.896  -3.747
  101   2HZ   LYS  11          2HZ       LYS  11  -9.917 -13.959  -2.340
  102   3HZ   LYS  11          3HZ       LYS  11  -8.488 -14.606  -2.973
  103    H    CYS  12           H        CYS  12  -5.049  -9.839  -1.688
  104    HA   CYS  12           HA       CYS  12  -3.097  -7.900  -1.480
  105   1HB   CYS  12          2HB       CYS  12  -2.854 -10.908  -1.534
  106   2HB   CYS  12          1HB       CYS  12  -1.504  -9.845  -1.154
  107    HG   CYS  12           HG       CYS  12  -4.019 -10.173   0.640
  108    H    GLY  13           H        GLY  13  -1.607  -7.039  -2.819
  109   1HA   GLY  13          2HA       GLY  13   0.042  -7.157  -4.527
  110   2HA   GLY  13          1HA       GLY  13  -0.820  -8.521  -5.220
  111    H    ASP  14           H        ASP  14  -3.319  -6.669  -4.694
  112    HA   ASP  14           HA       ASP  14  -3.502  -5.759  -7.383
  113   1HB   ASP  14          2HB       ASP  14  -5.348  -6.410  -5.554
  114   2HB   ASP  14          1HB       ASP  14  -5.355  -4.663  -5.331
  115    H    LEU  15           H        LEU  15  -3.259  -3.753  -8.247
  116    HA   LEU  15           HA       LEU  15  -1.912  -1.775  -6.584
  117   1HB   LEU  15          2HB       LEU  15  -2.410  -1.802  -9.564
  118   2HB   LEU  15          1HB       LEU  15  -1.414  -0.643  -8.704
  119    HG   LEU  15           HG       LEU  15  -0.856  -3.602  -8.942
  120   1HD1  LEU  15          1HD1      LEU  15   0.815  -3.080 -10.491
  121   2HD1  LEU  15          2HD1      LEU  15   0.747  -1.357 -10.121
  122   3HD1  LEU  15          3HD1      LEU  15  -0.576  -2.123 -11.001
  123   1HD2  LEU  15          1HD2      LEU  15  -0.115  -2.447  -6.817
  124   2HD2  LEU  15          2HD2      LEU  15   0.950  -1.472  -7.831
  125   3HD2  LEU  15          3HD2      LEU  15   1.153  -3.223  -7.767
  126    H    VAL  16           H        VAL  16  -3.031  -0.238  -5.626
  127    HA   VAL  16           HA       VAL  16  -5.309   0.954  -7.024
  128    HB   VAL  16           HB       VAL  16  -6.630   0.991  -4.931
  129   1HG1  VAL  16          1HG1      VAL  16  -7.008  -1.593  -4.925
  130   2HG1  VAL  16          2HG1      VAL  16  -5.887  -1.562  -6.286
  131   3HG1  VAL  16          3HG1      VAL  16  -7.390  -0.644  -6.361
  132   1HG2  VAL  16          1HG2      VAL  16  -5.648   0.512  -2.998
  133   2HG2  VAL  16          2HG2      VAL  16  -4.186  -0.015  -3.830
  134   3HG2  VAL  16          3HG2      VAL  16  -5.486  -1.164  -3.522
  135    H    PHE  17           H        PHE  17  -6.134   2.895  -5.756
  136    HA   PHE  17           HA       PHE  17  -3.829   4.442  -4.748
  137   1HB   PHE  17          2HB       PHE  17  -6.131   5.170  -6.517
  138   2HB   PHE  17          1HB       PHE  17  -5.467   6.405  -5.454
  139    HD1  PHE  17           1HD      PHE  17  -2.754   6.357  -5.487
  140    HD2  PHE  17           2HD      PHE  17  -5.340   5.188  -8.652
  141    HE1  PHE  17           1HE      PHE  17  -0.954   6.782  -7.106
  142    HE2  PHE  17           2HE      PHE  17  -3.551   5.610 -10.279
  143    HZ   PHE  17           HZ       PHE  17  -1.350   6.409  -9.511
  144    H    ALA  18           H        ALA  18  -4.020   5.412  -2.762
  145    HA   ALA  18           HA       ALA  18  -6.572   5.003  -1.357
  146   1HB   ALA  18          1HB       ALA  18  -4.579   5.540   0.538
  147   2HB   ALA  18          2HB       ALA  18  -3.851   4.435  -0.629
  148   3HB   ALA  18          3HB       ALA  18  -5.347   3.990   0.194
  149    H    LYS  19           H        LYS  19  -7.713   6.731  -0.844
  150    HA   LYS  19           HA       LYS  19  -6.511   9.370  -1.081
  151   1HB   LYS  19          2HB       LYS  19  -8.704   8.766  -2.181
  152   2HB   LYS  19          1HB       LYS  19  -9.407   8.693  -0.572
  153   1HG   LYS  19          2HG       LYS  19  -9.856  10.823  -1.680
  154   2HG   LYS  19          1HG       LYS  19  -8.902  11.033  -0.210
  155   1HD   LYS  19          2HD       LYS  19  -6.963  11.529  -1.389
  156   2HD   LYS  19          1HD       LYS  19  -7.551  10.766  -2.867
  157   1HE   LYS  19          2HE       LYS  19  -7.968  12.873  -3.524
  158   2HE   LYS  19          1HE       LYS  19  -9.402  12.719  -2.510
  159   1HZ   LYS  19          1HZ       LYS  19  -7.376  14.567  -2.249
  160   2HZ   LYS  19          2HZ       LYS  19  -7.152  13.493  -0.963
  161   3HZ   LYS  19          3HZ       LYS  19  -8.636  14.280  -1.158
  162    H    MET  20           H        MET  20  -6.143  10.717   0.561
  163    HA   MET  20           HA       MET  20  -7.129   9.971   3.234
  164   1HB   MET  20          2HB       MET  20  -4.353  10.422   2.315
  165   2HB   MET  20          1HB       MET  20  -4.785  11.193   3.835
  166   1HG   MET  20          2HG       MET  20  -5.658   8.903   4.545
  167   2HG   MET  20          1HG       MET  20  -4.764   8.277   3.160
  168   1HE   MET  20          1HE       MET  20  -2.424   9.199   2.664
  169   2HE   MET  20          2HE       MET  20  -1.902   7.728   3.484
  170   3HE   MET  20          3HE       MET  20  -1.151   9.273   3.883
  171    H    LYS  21           H        LYS  21  -7.450  11.712   4.700
  172    HA   LYS  21           HA       LYS  21  -8.400  14.099   3.449
  173   1HB   LYS  21          2HB       LYS  21  -9.264  12.903   5.587
  174   2HB   LYS  21          1HB       LYS  21  -7.999  13.804   6.411
  175   1HG   LYS  21          2HG       LYS  21  -9.262  15.620   6.469
  176   2HG   LYS  21          1HG       LYS  21  -9.482  15.573   4.720
  177   1HD   LYS  21          2HD       LYS  21 -11.639  15.167   5.144
  178   2HD   LYS  21          1HD       LYS  21 -11.126  13.548   5.623
  179   1HE   LYS  21          2HE       LYS  21 -11.230  14.033   7.871
  180   2HE   LYS  21          1HE       LYS  21 -10.998  15.762   7.616
  181   1HZ   LYS  21          1HZ       LYS  21 -13.427  14.662   6.484
  182   2HZ   LYS  21          2HZ       LYS  21 -13.186  16.098   7.344
  183   3HZ   LYS  21          3HZ       LYS  21 -13.353  14.634   8.174
  184    H    GLY  22           H        GLY  22  -6.873  15.416   2.598
  185   1HA   GLY  22          2HA       GLY  22  -5.545  17.377   3.235
  186   2HA   GLY  22          1HA       GLY  22  -4.773  16.368   4.446
  187    H    TYR  23           H        TYR  23  -5.117  14.419   1.832
  188    HA   TYR  23           HA       TYR  23  -2.782  15.377   0.375
  189   1HB   TYR  23          2HB       TYR  23  -2.736  12.523   1.311
  190   2HB   TYR  23          1HB       TYR  23  -1.402  13.538   0.772
  191    HD1  TYR  23           1HD      TYR  23  -3.165  12.253   3.590
  192    HD2  TYR  23           2HD      TYR  23  -0.703  15.474   2.311
  193    HE1  TYR  23           1HE      TYR  23  -2.616  12.754   5.934
  194    HE2  TYR  23           2HE      TYR  23  -0.143  15.984   4.650
  195    HH   TYR  23           HH       TYR  23  -1.841  14.745   7.260
  196    HA   PRO  24           HA       PRO  24  -5.023  13.613  -2.995
  197   1HB   PRO  24          2HB       PRO  24  -3.082  13.393  -4.845
  198   2HB   PRO  24          1HB       PRO  24  -3.687  14.966  -4.308
  199   1HG   PRO  24          2HG       PRO  24  -1.211  13.501  -3.470
  200   2HG   PRO  24          1HG       PRO  24  -1.415  15.219  -3.861
  201   1HD   PRO  24          2HD       PRO  24  -1.348  14.265  -1.309
  202   2HD   PRO  24          1HD       PRO  24  -2.247  15.720  -1.778
  203    H    HIS  25           H        HIS  25  -5.195  11.725  -4.379
  204    HA   HIS  25           HA       HIS  25  -4.917   9.298  -3.131
  205   1HB   HIS  25          2HB       HIS  25  -4.939   9.924  -6.090
  206   2HB   HIS  25          1HB       HIS  25  -5.096   8.299  -5.435
  207    HD1  HIS  25           1HD      HIS  25  -6.916  11.598  -5.564
  208    HD2  HIS  25           2HD      HIS  25  -7.614   7.634  -4.529
  209    HE1  HIS  25           1HE      HIS  25  -9.396  11.430  -5.184
  210    HE2  HIS  25           2HE      HIS  25  -9.804   9.007  -4.624
  211    H    TRP  26           H        TRP  26  -3.136   8.234  -2.472
  212    HA   TRP  26           HA       TRP  26  -0.584   8.713  -3.832
  213   1HB   TRP  26          2HB       TRP  26  -1.082   8.829  -1.232
  214   2HB   TRP  26          1HB       TRP  26  -0.798   7.096  -1.333
  215    HD1  TRP  26           HD       TRP  26   1.706   6.345  -2.217
  216    HE1  TRP  26           1HE      TRP  26   3.974   7.526  -1.888
  217    HE3  TRP  26           3HE      TRP  26   0.038  11.036  -1.055
  218    HZ2  TRP  26           2HZ      TRP  26   4.919  10.104  -1.230
  219    HZ3  TRP  26           3HZ      TRP  26   1.674  12.794  -0.594
  220    HH2  TRP  26           HH       TRP  26   4.055  12.338  -0.678
  221    HA   PRO  27           HA       PRO  27  -0.791   4.781  -5.939
  222   1HB   PRO  27          2HB       PRO  27   1.954   4.414  -6.141
  223   2HB   PRO  27          1HB       PRO  27   0.970   5.335  -7.281
  224   1HG   PRO  27          2HG       PRO  27   2.651   6.307  -5.012
  225   2HG   PRO  27          1HG       PRO  27   2.425   7.010  -6.624
  226   1HD   PRO  27          2HD       PRO  27   1.192   8.029  -4.475
  227   2HD   PRO  27          1HD       PRO  27   0.385   7.966  -6.057
  228    H    ALA  28           H        ALA  28  -1.265   2.976  -4.865
  229    HA   ALA  28           HA       ALA  28   0.656   1.933  -2.922
  230   1HB   ALA  28          1HB       ALA  28  -0.600   2.349  -1.141
  231   2HB   ALA  28          2HB       ALA  28  -2.004   1.600  -1.899
  232   3HB   ALA  28          3HB       ALA  28  -1.657   3.306  -2.177
  233    H    ARG  29           H        ARG  29  -0.239  -0.238  -2.030
  234    HA   ARG  29           HA       ARG  29  -1.694  -1.755  -4.062
  235   1HB   ARG  29          2HB       ARG  29   0.771  -1.936  -4.530
  236   2HB   ARG  29          1HB       ARG  29   0.956  -2.695  -2.955
  237   1HG   ARG  29          2HG       ARG  29  -0.803  -4.376  -3.808
  238   2HG   ARG  29          1HG       ARG  29  -0.403  -3.745  -5.404
  239   1HD   ARG  29          2HD       ARG  29   2.052  -4.215  -4.164
  240   2HD   ARG  29          1HD       ARG  29   1.047  -5.597  -3.731
  241    HE   ARG  29           HE       ARG  29   1.075  -4.848  -6.540
  242   1HH1  ARG  29          1HH1      ARG  29   2.342  -6.934  -4.041
  243   2HH1  ARG  29          2HH1      ARG  29   2.894  -8.137  -5.154
  244   1HH2  ARG  29          1HH2      ARG  29   1.807  -6.428  -8.003
  245   2HH2  ARG  29          2HH2      ARG  29   2.596  -7.850  -7.405
  246    H    ILE  30           H        ILE  30  -2.514  -3.802  -3.263
  247    HA   ILE  30           HA       ILE  30  -3.253  -3.655  -0.472
  248    HB   ILE  30           HB       ILE  30  -3.872  -5.869  -2.426
  249   1HG1  ILE  30          2HG1      ILE  30  -4.578  -3.654  -3.300
  250   2HG1  ILE  30          1HG1      ILE  30  -5.940  -4.709  -2.939
  251   1HG2  ILE  30          1HG2      ILE  30  -4.486  -6.711  -0.391
  252   2HG2  ILE  30          2HG2      ILE  30  -5.966  -5.858  -0.830
  253   3HG2  ILE  30          3HG2      ILE  30  -4.822  -5.120   0.290
  254   1HD1  ILE  30          1HD1      ILE  30  -6.761  -2.903  -1.913
  255   2HD1  ILE  30          2HD1      ILE  30  -5.177  -2.142  -1.765
  256   3HD1  ILE  30          3HD1      ILE  30  -5.680  -3.367  -0.600
  257    H    ASP  31           H        ASP  31  -2.541  -4.977   1.170
  258    HA   ASP  31           HA       ASP  31  -0.507  -6.974   0.461
  259   1HB   ASP  31          2HB       ASP  31   0.227  -4.706   1.574
  260   2HB   ASP  31          1HB       ASP  31  -0.322  -5.496   3.050
  261    H    GLU  32           H        GLU  32  -3.311  -6.222   2.343
  262    HA   GLU  32           HA       GLU  32  -3.656  -8.956   3.056
  263   1HB   GLU  32          2HB       GLU  32  -2.060  -7.580   4.814
  264   2HB   GLU  32          1HB       GLU  32  -3.648  -7.416   5.549
  265   1HG   GLU  32          2HG       GLU  32  -3.744  -9.576   6.134
  266   2HG   GLU  32          1HG       GLU  32  -2.997 -10.122   4.633
  267    H    MET  33           H        MET  33  -5.719  -9.404   3.957
  268    HA   MET  33           HA       MET  33  -7.669  -7.313   3.402
  269   1HB   MET  33          2HB       MET  33  -7.883 -10.282   3.878
  270   2HB   MET  33          1HB       MET  33  -9.301  -9.244   3.809
  271   1HG   MET  33          2HG       MET  33  -9.003 -10.238   1.670
  272   2HG   MET  33          1HG       MET  33  -8.595  -8.529   1.541
  273   1HE   MET  33          1HE       MET  33  -5.045  -8.186   1.194
  274   2HE   MET  33          2HE       MET  33  -6.682  -7.536   1.266
  275   3HE   MET  33          3HE       MET  33  -6.061  -8.197  -0.247
  276    HA   PRO  34           HA       PRO  34  -8.808  -6.267   7.540
  277   1HB   PRO  34          2HB       PRO  34 -11.569  -7.246   7.059
  278   2HB   PRO  34          1HB       PRO  34 -11.013  -5.645   7.557
  279   1HG   PRO  34          2HG       PRO  34 -11.890  -6.068   5.078
  280   2HG   PRO  34          1HG       PRO  34 -10.507  -5.000   5.386
  281   1HD   PRO  34          2HD       PRO  34 -10.541  -7.814   4.365
  282   2HD   PRO  34          1HD       PRO  34  -9.521  -6.447   3.872
  283    H    GLU  35           H        GLU  35  -8.724  -7.200   9.496
  284    HA   GLU  35           HA       GLU  35  -8.560 -10.022   9.693
  285   1HB   GLU  35          2HB       GLU  35  -7.962  -7.754  11.360
  286   2HB   GLU  35          1HB       GLU  35  -8.812  -8.981  12.290
  287   1HG   GLU  35          2HG       GLU  35  -6.431  -9.295  12.464
  288   2HG   GLU  35          1HG       GLU  35  -7.168 -10.646  11.604
  289    H    ALA  36           H        ALA  36 -10.466  -8.179  11.970
  290    HA   ALA  36           HA       ALA  36 -13.022  -9.006  11.186
  291   1HB   ALA  36          1HB       ALA  36 -11.483 -10.971  12.728
  292   2HB   ALA  36          2HB       ALA  36 -12.909 -11.189  11.712
  293   3HB   ALA  36          3HB       ALA  36 -13.088 -10.624  13.373
  294    H    ALA  37           H        ALA  37 -11.042  -8.696  14.087
  295    HA   ALA  37           HA       ALA  37 -12.239  -6.264  14.936
  296   1HB   ALA  37          1HB       ALA  37 -12.818  -8.447  16.877
  297   2HB   ALA  37          2HB       ALA  37 -13.911  -8.233  15.510
  298   3HB   ALA  37          3HB       ALA  37 -13.638  -6.904  16.636
  299    H    VAL  38           H        VAL  38 -10.103  -5.617  15.125
  300    HA   VAL  38           HA       VAL  38  -8.734  -6.551  17.518
  301    HB   VAL  38           HB       VAL  38  -6.549  -6.615  16.159
  302   1HG1  VAL  38          1HG1      VAL  38  -8.376  -8.574  16.913
  303   2HG1  VAL  38          2HG1      VAL  38  -6.684  -8.813  16.478
  304   3HG1  VAL  38          3HG1      VAL  38  -7.941  -8.981  15.253
  305   1HG2  VAL  38          1HG2      VAL  38  -6.613  -6.387  13.945
  306   2HG2  VAL  38          2HG2      VAL  38  -8.328  -5.995  14.071
  307   3HG2  VAL  38          3HG2      VAL  38  -7.822  -7.663  13.801
  308    H    LYS  39           H        LYS  39  -9.957  -4.033  16.041
  309    HA   LYS  39           HA       LYS  39  -9.675  -1.791  16.267
  310   1HB   LYS  39          2HB       LYS  39  -7.150  -2.269  17.828
  311   2HB   LYS  39          1HB       LYS  39  -8.287  -0.933  17.960
  312   1HG   LYS  39          2HG       LYS  39  -9.365  -3.617  18.543
  313   2HG   LYS  39          1HG       LYS  39  -8.188  -2.974  19.693
  314   1HD   LYS  39          2HD       LYS  39  -9.975  -0.873  19.080
  315   2HD   LYS  39          1HD       LYS  39 -10.956  -2.310  19.377
  316   1HE   LYS  39          2HE       LYS  39  -8.881  -2.168  21.339
  317   2HE   LYS  39          1HE       LYS  39  -9.714  -0.616  21.267
  318   1HZ   LYS  39          1HZ       LYS  39 -11.664  -1.523  21.969
  319   2HZ   LYS  39          2HZ       LYS  39 -10.591  -2.565  22.759
  320   3HZ   LYS  39          3HZ       LYS  39 -11.337  -3.052  21.323
  321    H    SER  40           H        SER  40  -6.337  -3.056  16.151
  322    HA   SER  40           HA       SER  40  -5.264  -1.082  14.538
  323   1HB   SER  40          2HB       SER  40  -4.460  -3.999  14.488
  324   2HB   SER  40          1HB       SER  40  -3.451  -2.613  14.072
  325    HG   SER  40           HG       SER  40  -3.795  -3.727  16.450
  326    H    THR  41           H        THR  41  -7.282  -3.772  13.685
  327    HA   THR  41           HA       THR  41  -7.077  -2.989  10.855
  328    HB   THR  41           HB       THR  41  -7.977  -5.732  11.617
  329    HG1  THR  41           1HG      THR  41  -5.896  -6.443  11.774
  330   1HG2  THR  41          1HG2      THR  41  -6.538  -4.536   9.275
  331   2HG2  THR  41          2HG2      THR  41  -8.115  -5.325   9.311
  332   3HG2  THR  41          3HG2      THR  41  -6.647  -6.276   9.541
  333    H    ALA  42           H        ALA  42  -9.161  -3.946  13.500
  334    HA   ALA  42           HA       ALA  42 -11.431  -4.059  13.740
  335   1HB   ALA  42          1HB       ALA  42 -10.700  -1.405  12.691
  336   2HB   ALA  42          2HB       ALA  42 -11.531  -1.850  14.181
  337   3HB   ALA  42          3HB       ALA  42 -12.418  -1.803  12.657
  338    H    ASN  43           H        ASN  43 -11.667  -2.276  10.717
  339    HA   ASN  43           HA       ASN  43 -12.468  -4.614   9.245
  340   1HB   ASN  43          2HB       ASN  43 -14.679  -3.590   8.601
  341   2HB   ASN  43          1HB       ASN  43 -14.585  -4.139  10.272
  342   1HD2  ASN  43          1HD2      ASN  43 -14.268  -2.555  11.924
  343   2HD2  ASN  43          2HD2      ASN  43 -14.802  -0.930  11.681
  344    H    LYS  44           H        LYS  44 -10.325  -3.327   8.677
  345    HA   LYS  44           HA       LYS  44 -10.976  -1.815   6.255
  346   1HB   LYS  44          2HB       LYS  44  -8.654  -0.928   7.916
  347   2HB   LYS  44          1HB       LYS  44  -9.583  -0.023   6.731
  348   1HG   LYS  44          2HG       LYS  44 -11.273   0.461   8.226
  349   2HG   LYS  44          1HG       LYS  44 -10.880  -0.904   9.275
  350   1HD   LYS  44          2HD       LYS  44  -8.802   0.230   9.941
  351   2HD   LYS  44          1HD       LYS  44  -9.235   1.603   8.919
  352   1HE   LYS  44          2HE       LYS  44 -11.479   1.201  10.494
  353   2HE   LYS  44          1HE       LYS  44 -10.131   0.915  11.594
  354   1HZ   LYS  44          1HZ       LYS  44 -11.130   3.337  10.984
  355   2HZ   LYS  44          2HZ       LYS  44  -9.818   3.243   9.920
  356   3HZ   LYS  44          3HZ       LYS  44  -9.571   3.064  11.584
  357    H    TYR  45           H        TYR  45  -9.011  -1.579   4.836
  358    HA   TYR  45           HA       TYR  45  -7.620  -4.152   4.754
  359   1HB   TYR  45          2HB       TYR  45  -7.918  -1.950   2.696
  360   2HB   TYR  45          1HB       TYR  45  -6.994  -3.425   2.439
  361    HD1  TYR  45           1HD      TYR  45  -8.073  -5.469   1.882
  362    HD2  TYR  45           2HD      TYR  45 -10.387  -2.078   2.996
  363    HE1  TYR  45           1HE      TYR  45 -10.111  -6.620   1.128
  364    HE2  TYR  45           2HE      TYR  45 -12.433  -3.219   2.244
  365    HH   TYR  45           HH       TYR  45 -13.271  -5.394   1.791
  366    H    GLN  46           H        GLN  46  -5.331  -4.225   4.238
  367    HA   GLN  46           HA       GLN  46  -3.858  -2.036   5.519
  368   1HB   GLN  46          2HB       GLN  46  -3.660  -4.807   5.765
  369   2HB   GLN  46          1HB       GLN  46  -2.278  -4.369   4.769
  370   1HG   GLN  46          2HG       GLN  46  -1.416  -2.931   6.434
  371   2HG   GLN  46          1HG       GLN  46  -2.908  -3.007   7.370
  372   1HE2  GLN  46          1HE2      GLN  46  -0.008  -3.731   7.885
  373   2HE2  GLN  46          2HE2      GLN  46  -0.088  -5.323   8.549
  374    H    VAL  47           H        VAL  47  -3.275  -0.531   4.115
  375    HA   VAL  47           HA       VAL  47  -2.482  -1.314   1.408
  376    HB   VAL  47           HB       VAL  47  -3.171   1.429   2.464
  377   1HG1  VAL  47          1HG1      VAL  47  -3.515   1.147  -0.352
  378   2HG1  VAL  47          2HG1      VAL  47  -1.886   0.627   0.080
  379   3HG1  VAL  47          3HG1      VAL  47  -2.445   2.239   0.532
  380   1HG2  VAL  47          1HG2      VAL  47  -5.157   0.736   0.719
  381   2HG2  VAL  47          2HG2      VAL  47  -5.265   0.640   2.477
  382   3HG2  VAL  47          3HG2      VAL  47  -4.835  -0.791   1.540
  383    H    PHE  48           H        PHE  48  -0.570  -0.783   0.521
  384    HA   PHE  48           HA       PHE  48   1.504   0.267   2.333
  385   1HB   PHE  48          2HB       PHE  48   1.800  -2.048   1.386
  386   2HB   PHE  48          1HB       PHE  48   1.896  -1.319  -0.215
  387    HD1  PHE  48           1HD      PHE  48   4.035  -1.257  -1.023
  388    HD2  PHE  48           2HD      PHE  48   3.385  -0.565   3.126
  389    HE1  PHE  48           1HE      PHE  48   6.447  -0.882  -0.711
  390    HE2  PHE  48           2HE      PHE  48   5.796  -0.191   3.445
  391    HZ   PHE  48           HZ       PHE  48   7.330  -0.347   1.525
  392    H    PHE  49           H        PHE  49   2.219   2.259   1.933
  393    HA   PHE  49           HA       PHE  49   1.537   3.550  -0.600
  394   1HB   PHE  49          2HB       PHE  49   2.608   4.689   1.989
  395   2HB   PHE  49          1HB       PHE  49   2.232   5.641   0.556
  396    HD1  PHE  49           1HD      PHE  49  -0.209   5.338  -0.367
  397    HD2  PHE  49           2HD      PHE  49   1.005   4.426   3.603
  398    HE1  PHE  49           1HE      PHE  49  -2.538   5.525   0.384
  399    HE2  PHE  49           2HE      PHE  49  -1.319   4.607   4.357
  400    HZ   PHE  49           HZ       PHE  49  -3.102   5.152   2.750
  401    H    PHE  50           H        PHE  50   3.012   3.296  -2.180
  402    HA   PHE  50           HA       PHE  50   5.701   2.613  -1.826
  403   1HB   PHE  50          2HB       PHE  50   4.297   3.939  -4.153
  404   2HB   PHE  50          1HB       PHE  50   5.967   3.383  -4.214
  405    HD1  PHE  50           1HD      PHE  50   6.362   0.900  -3.595
  406    HD2  PHE  50           2HD      PHE  50   2.597   2.504  -4.758
  407    HE1  PHE  50           1HE      PHE  50   5.593  -1.356  -4.201
  408    HE2  PHE  50           2HE      PHE  50   1.820   0.249  -5.361
  409    HZ   PHE  50           HZ       PHE  50   3.319  -1.682  -5.086
  410    H    GLY  51           H        GLY  51   7.426   4.151  -3.048
  411   1HA   GLY  51          2HA       GLY  51   8.701   6.064  -2.942
  412   2HA   GLY  51          1HA       GLY  51   7.231   6.944  -2.546
  413    H    THR  52           H        THR  52   6.420   6.361  -0.232
  414    HA   THR  52           HA       THR  52   8.637   6.929   1.575
  415    HB   THR  52           HB       THR  52   6.883   7.496   3.201
  416    HG1  THR  52           1HG      THR  52   5.109   6.728   1.127
  417   1HG2  THR  52          1HG2      THR  52   6.849   8.754   0.518
  418   2HG2  THR  52          2HG2      THR  52   7.317   9.424   2.080
  419   3HG2  THR  52          3HG2      THR  52   5.611   9.217   1.684
  420    H    HIS  53           H        HIS  53   6.496   4.377   0.703
  421    HA   HIS  53           HA       HIS  53   6.316   2.210   1.388
  422   1HB   HIS  53          2HB       HIS  53   8.796   2.783   3.031
  423   2HB   HIS  53          1HB       HIS  53   8.170   1.194   2.606
  424    HD1  HIS  53           1HD      HIS  53  11.041   2.145   1.850
  425    HD2  HIS  53           2HD      HIS  53   7.733   2.313  -0.660
  426    HE1  HIS  53           1HE      HIS  53  11.970   2.177  -0.486
  427    HE2  HIS  53           2HE      HIS  53   9.949   2.205  -1.989
  428    H    GLU  54           H        GLU  54   4.936   4.302   2.735
  429    HA   GLU  54           HA       GLU  54   4.970   3.594   5.561
  430   1HB   GLU  54          2HB       GLU  54   3.233   5.569   4.066
  431   2HB   GLU  54          1HB       GLU  54   3.323   5.394   5.813
  432   1HG   GLU  54          2HG       GLU  54   5.596   6.147   5.836
  433   2HG   GLU  54          1HG       GLU  54   5.664   6.148   4.074
  434    H    THR  55           H        THR  55   3.084   2.846   6.691
  435    HA   THR  55           HA       THR  55   1.175   1.451   4.945
  436    HB   THR  55           HB       THR  55   1.195   0.034   7.335
  437    HG1  THR  55           1HG      THR  55   3.184  -0.093   8.036
  438   1HG2  THR  55          1HG2      THR  55   1.249  -0.717   4.842
  439   2HG2  THR  55          2HG2      THR  55   1.875  -1.773   6.108
  440   3HG2  THR  55          3HG2      THR  55   2.987  -0.824   5.121
  441    H    ALA  56           H        ALA  56  -0.921   1.445   5.454
  442    HA   ALA  56           HA       ALA  56  -1.869   2.531   7.963
  443   1HB   ALA  56          1HB       ALA  56  -1.307   4.431   6.267
  444   2HB   ALA  56          2HB       ALA  56  -2.791   4.498   7.220
  445   3HB   ALA  56          3HB       ALA  56  -2.844   3.964   5.539
  446    H    PHE  57           H        PHE  57  -4.352   2.658   7.914
  447    HA   PHE  57           HA       PHE  57  -5.353   0.376   6.348
  448   1HB   PHE  57          2HB       PHE  57  -6.185   1.330   9.093
  449   2HB   PHE  57          1HB       PHE  57  -6.976   0.034   8.201
  450    HD1  PHE  57           1HD      PHE  57  -6.408  -2.091   8.810
  451    HD2  PHE  57           2HD      PHE  57  -3.501   0.996   9.169
  452    HE1  PHE  57           1HE      PHE  57  -4.800  -3.712   9.733
  453    HE2  PHE  57           2HE      PHE  57  -1.890  -0.617  10.086
  454    HZ   PHE  57           HZ       PHE  57  -2.538  -2.975  10.371
  455    H    LEU  58           H        LEU  58  -6.959   0.747   4.968
  456    HA   LEU  58           HA       LEU  58  -8.742   3.019   5.430
  457   1HB   LEU  58          2HB       LEU  58  -7.256   2.485   2.860
  458   2HB   LEU  58          1HB       LEU  58  -8.586   3.618   3.013
  459    HG   LEU  58           HG       LEU  58  -6.129   3.896   4.715
  460   1HD1  LEU  58          1HD1      LEU  58  -6.491   5.226   2.044
  461   2HD1  LEU  58          2HD1      LEU  58  -5.535   3.762   2.266
  462   3HD1  LEU  58          3HD1      LEU  58  -5.073   5.250   3.093
  463   1HD2  LEU  58          1HD2      LEU  58  -7.333   6.332   3.838
  464   2HD2  LEU  58          2HD2      LEU  58  -7.185   5.693   5.476
  465   3HD2  LEU  58          3HD2      LEU  58  -8.584   5.272   4.488
  466    H    GLY  59           H        GLY  59 -10.701   2.934   4.058
  467   1HA   GLY  59          2HA       GLY  59 -11.574   0.154   3.808
  468   2HA   GLY  59          1HA       GLY  59 -12.617   1.570   3.849
  469    HA   PRO  60           HA       PRO  60 -11.993  -0.050  -0.564
  470   1HB   PRO  60          2HB       PRO  60 -14.648  -0.479  -1.068
  471   2HB   PRO  60          1HB       PRO  60 -13.550  -1.723  -0.459
  472   1HG   PRO  60          2HG       PRO  60 -15.501  -0.019   1.039
  473   2HG   PRO  60          1HG       PRO  60 -15.151  -1.748   1.224
  474   1HD   PRO  60          2HD       PRO  60 -14.149   0.098   2.911
  475   2HD   PRO  60          1HD       PRO  60 -13.236  -1.358   2.460
  476    H    LYS  61           H        LYS  61 -14.143   2.212   1.033
  477    HA   LYS  61           HA       LYS  61 -14.955   3.614  -1.301
  478   1HB   LYS  61          2HB       LYS  61 -14.810   4.746   1.490
  479   2HB   LYS  61          1HB       LYS  61 -15.879   5.235   0.182
  480   1HG   LYS  61          2HG       LYS  61 -16.498   2.584   0.492
  481   2HG   LYS  61          1HG       LYS  61 -16.172   3.104   2.146
  482   1HD   LYS  61          2HD       LYS  61 -18.303   3.808   2.134
  483   2HD   LYS  61          1HD       LYS  61 -17.689   5.167   1.192
  484   1HE   LYS  61          2HE       LYS  61 -18.908   2.621   0.133
  485   2HE   LYS  61          1HE       LYS  61 -19.611   4.237   0.079
  486   1HZ   LYS  61          1HZ       LYS  61 -17.378   3.137  -1.490
  487   2HZ   LYS  61          2HZ       LYS  61 -17.473   4.804  -1.225
  488   3HZ   LYS  61          3HZ       LYS  61 -18.732   4.002  -2.020
  489    H    ASP  62           H        ASP  62 -12.142   3.706   0.720
  490    HA   ASP  62           HA       ASP  62 -11.239   6.209  -0.503
  491   1HB   ASP  62          2HB       ASP  62 -10.316   4.621   1.879
  492   2HB   ASP  62          1HB       ASP  62  -9.298   5.870   1.168
  493    H    LEU  63           H        LEU  63 -11.248   3.178  -1.487
  494    HA   LEU  63           HA       LEU  63  -8.495   3.273  -2.528
  495   1HB   LEU  63          2HB       LEU  63 -10.253   0.862  -2.056
  496   2HB   LEU  63          1HB       LEU  63  -8.658   0.820  -2.784
  497    HG   LEU  63           HG       LEU  63  -9.144   1.835   0.011
  498   1HD1  LEU  63          1HD1      LEU  63  -8.616  -0.292   0.878
  499   2HD1  LEU  63          2HD1      LEU  63  -8.162  -0.912  -0.710
  500   3HD1  LEU  63          3HD1      LEU  63  -9.853  -0.567  -0.348
  501   1HD2  LEU  63          1HD2      LEU  63  -6.590   0.659  -0.944
  502   2HD2  LEU  63          2HD2      LEU  63  -6.879   1.939   0.236
  503   3HD2  LEU  63          3HD2      LEU  63  -7.012   2.282  -1.490
  504    H    PHE  64           H        PHE  64  -8.189   3.108  -4.703
  505    HA   PHE  64           HA       PHE  64 -10.525   2.606  -6.412
  506   1HB   PHE  64          2HB       PHE  64  -8.598   4.875  -6.936
  507   2HB   PHE  64          1HB       PHE  64 -10.112   4.534  -7.766
  508    HD1  PHE  64           1HD      PHE  64 -11.922   5.830  -7.230
  509    HD2  PHE  64           2HD      PHE  64  -8.889   5.234  -4.304
  510    HE1  PHE  64           1HE      PHE  64 -13.108   7.345  -5.696
  511    HE2  PHE  64           2HE      PHE  64 -10.071   6.745  -2.765
  512    HZ   PHE  64           HZ       PHE  64 -12.184   7.803  -3.459
  513    HA   PRO  65           HA       PRO  65  -7.731   0.198  -8.831
  514   1HB   PRO  65          2HB       PRO  65  -8.887   1.197 -11.330
  515   2HB   PRO  65          1HB       PRO  65  -8.965  -0.420 -10.633
  516   1HG   PRO  65          2HG       PRO  65 -11.116   1.212 -10.757
  517   2HG   PRO  65          1HG       PRO  65 -10.882   0.035  -9.453
  518   1HD   PRO  65          2HD       PRO  65 -10.419   2.992  -9.446
  519   2HD   PRO  65          1HD       PRO  65 -11.101   1.953  -8.176
  520    H    TYR  66           H        TYR  66  -5.673   0.830  -8.906
  521    HA   TYR  66           HA       TYR  66  -4.634   3.309  -9.432
  522   1HB   TYR  66          2HB       TYR  66  -3.308   1.522  -8.458
  523   2HB   TYR  66          1HB       TYR  66  -3.362   0.617  -9.969
  524    HD1  TYR  66           1HD      TYR  66  -1.902   1.157 -11.786
  525    HD2  TYR  66           2HD      TYR  66  -1.960   3.588  -8.297
  526    HE1  TYR  66           1HE      TYR  66   0.148   2.279 -12.542
  527    HE2  TYR  66           2HE      TYR  66   0.090   4.719  -9.043
  528    HH   TYR  66           HH       TYR  66   1.405   5.102 -10.929
  529    H    GLU  67           H        GLU  67  -4.741   0.630 -11.783
  530    HA   GLU  67           HA       GLU  67  -3.709   1.956 -13.972
  531   1HB   GLU  67          2HB       GLU  67  -5.677  -0.289 -13.712
  532   2HB   GLU  67          1HB       GLU  67  -5.262   0.344 -15.300
  533   1HG   GLU  67          2HG       GLU  67  -3.067  -0.405 -13.440
  534   2HG   GLU  67          1HG       GLU  67  -3.967  -1.683 -14.257
  535    H    GLU  68           H        GLU  68  -7.038   1.947 -12.820
  536    HA   GLU  68           HA       GLU  68  -8.104   3.368 -15.025
  537   1HB   GLU  68          2HB       GLU  68  -9.100   2.644 -12.312
  538   2HB   GLU  68          1HB       GLU  68  -9.970   3.857 -13.236
  539   1HG   GLU  68          2HG       GLU  68  -9.292   1.264 -14.531
  540   2HG   GLU  68          1HG       GLU  68 -10.627   1.335 -13.382
  541    H    SER  69           H        SER  69  -6.870   4.409 -11.876
  542    HA   SER  69           HA       SER  69  -7.398   7.190 -12.696
  543   1HB   SER  69          2HB       SER  69  -6.680   6.241  -9.922
  544   2HB   SER  69          1HB       SER  69  -7.346   7.805 -10.392
  545    HG   SER  69           HG       SER  69  -9.242   6.652 -11.074
  546    H    LYS  70           H        LYS  70  -4.976   5.215 -13.201
  547    HA   LYS  70           HA       LYS  70  -2.729   6.284 -11.946
  548   1HB   LYS  70          2HB       LYS  70  -1.418   5.232 -13.636
  549   2HB   LYS  70          1HB       LYS  70  -2.803   4.195 -13.333
  550   1HG   LYS  70          2HG       LYS  70  -3.850   4.865 -15.362
  551   2HG   LYS  70          1HG       LYS  70  -2.665   6.146 -15.617
  552   1HD   LYS  70          2HD       LYS  70  -1.583   4.670 -16.898
  553   2HD   LYS  70          1HD       LYS  70  -1.087   3.916 -15.383
  554   1HE   LYS  70          2HE       LYS  70  -2.014   2.077 -16.288
  555   2HE   LYS  70          1HE       LYS  70  -3.517   2.793 -15.717
  556   1HZ   LYS  70          1HZ       LYS  70  -4.200   2.739 -17.811
  557   2HZ   LYS  70          2HZ       LYS  70  -2.672   2.291 -18.379
  558   3HZ   LYS  70          3HZ       LYS  70  -3.052   3.928 -18.181
  559    H    GLU  71           H        GLU  71  -4.215   7.206 -15.033
  560    HA   GLU  71           HA       GLU  71  -2.380   9.329 -15.534
  561   1HB   GLU  71          2HB       GLU  71  -5.003   8.498 -16.737
  562   2HB   GLU  71          1HB       GLU  71  -4.228  10.001 -17.214
  563   1HG   GLU  71          2HG       GLU  71  -2.191   8.164 -17.401
  564   2HG   GLU  71          1HG       GLU  71  -3.604   7.262 -17.947
  565    H    LYS  72           H        LYS  72  -5.232   9.045 -13.621
  566    HA   LYS  72           HA       LYS  72  -5.829  11.871 -13.633
  567   1HB   LYS  72          2HB       LYS  72  -7.367   9.696 -13.261
  568   2HB   LYS  72          1HB       LYS  72  -7.015  10.091 -11.584
  569   1HG   LYS  72          2HG       LYS  72  -7.797  12.434 -12.105
  570   2HG   LYS  72          1HG       LYS  72  -8.393  11.792 -13.637
  571   1HD   LYS  72          2HD       LYS  72  -9.416   9.993 -11.877
  572   2HD   LYS  72          1HD       LYS  72  -9.449  11.472 -10.914
  573   1HE   LYS  72          2HE       LYS  72 -11.097  12.373 -12.140
  574   2HE   LYS  72          1HE       LYS  72 -10.397  11.816 -13.660
  575   1HZ   LYS  72          1HZ       LYS  72 -11.265   9.567 -13.082
  576   2HZ   LYS  72          2HZ       LYS  72 -12.463  10.722 -13.379
  577   3HZ   LYS  72          3HZ       LYS  72 -12.101  10.270 -11.790
  578    H    PHE  73           H        PHE  73  -4.654   9.510 -11.239
  579    HA   PHE  73           HA       PHE  73  -3.940  11.734  -9.466
  580   1HB   PHE  73          2HB       PHE  73  -3.870   8.783  -8.835
  581   2HB   PHE  73          1HB       PHE  73  -3.815  10.124  -7.697
  582    HD1  PHE  73           1HD      PHE  73  -5.762   7.653  -8.021
  583    HD2  PHE  73           2HD      PHE  73  -6.009  11.797  -8.960
  584    HE1  PHE  73           1HE      PHE  73  -8.210   7.556  -7.794
  585    HE2  PHE  73           2HE      PHE  73  -8.456  11.706  -8.733
  586    HZ   PHE  73           HZ       PHE  73  -9.561   9.583  -8.149
  587    H    GLY  74           H        GLY  74  -2.452   9.616 -11.691
  588   1HA   GLY  74          2HA       GLY  74   0.074   9.417 -10.342
  589   2HA   GLY  74          1HA       GLY  74  -0.254   8.986 -12.011
  590    H    LYS  75           H        LYS  75   0.190  11.817  -9.891
  591    HA   LYS  75           HA       LYS  75   1.882  13.022 -11.914
  592   1HB   LYS  75          2HB       LYS  75  -0.550  14.453 -10.829
  593   2HB   LYS  75          1HB       LYS  75   0.668  15.154 -11.884
  594   1HG   LYS  75          2HG       LYS  75  -0.008  13.154 -13.450
  595   2HG   LYS  75          1HG       LYS  75  -1.500  13.221 -12.510
  596   1HD   LYS  75          2HD       LYS  75  -1.591  15.680 -13.032
  597   2HD   LYS  75          1HD       LYS  75  -0.256  15.415 -14.156
  598   1HE   LYS  75          2HE       LYS  75  -1.835  14.998 -15.681
  599   2HE   LYS  75          1HE       LYS  75  -2.041  13.451 -14.861
  600   1HZ   LYS  75          1HZ       LYS  75  -3.754  15.797 -14.851
  601   2HZ   LYS  75          2HZ       LYS  75  -3.593  15.002 -13.366
  602   3HZ   LYS  75          3HZ       LYS  75  -4.158  14.160 -14.719
  603    HA   PRO  76           HA       PRO  76   4.340  14.258  -8.478
  604   1HB   PRO  76          2HB       PRO  76   4.506  16.914  -9.822
  605   2HB   PRO  76          1HB       PRO  76   5.803  15.865  -9.236
  606   1HG   PRO  76          2HG       PRO  76   5.275  16.037 -11.837
  607   2HG   PRO  76          1HG       PRO  76   5.707  14.483 -11.097
  608   1HD   PRO  76          2HD       PRO  76   3.038  15.489 -11.978
  609   2HD   PRO  76          1HD       PRO  76   3.701  13.844 -12.038
  610    H    ASN  77           H        ASN  77   4.284  15.498  -6.596
  611    HA   ASN  77           HA       ASN  77   2.121  17.464  -6.346
  612   1HB   ASN  77          2HB       ASN  77   1.257  16.472  -4.322
  613   2HB   ASN  77          1HB       ASN  77   1.244  15.261  -5.600
  614   1HD2  ASN  77          1HD2      ASN  77   1.038  14.418  -3.079
  615   2HD2  ASN  77          2HD2      ASN  77   2.495  13.651  -2.561
  616    H    LYS  78           H        LYS  78   2.232  18.122  -3.762
  617    HA   LYS  78           HA       LYS  78   4.931  19.226  -3.526
  618   1HB   LYS  78          2HB       LYS  78   2.223  20.132  -2.761
  619   2HB   LYS  78          1HB       LYS  78   3.520  20.567  -1.657
  620   1HG   LYS  78          2HG       LYS  78   4.060  21.062  -4.506
  621   2HG   LYS  78          1HG       LYS  78   2.787  22.045  -3.780
  622   1HD   LYS  78          2HD       LYS  78   4.346  22.703  -1.991
  623   2HD   LYS  78          1HD       LYS  78   5.616  21.755  -2.767
  624   1HE   LYS  78          2HE       LYS  78   5.355  23.165  -4.793
  625   2HE   LYS  78          1HE       LYS  78   4.195  24.156  -3.911
  626   1HZ   LYS  78          1HZ       LYS  78   5.953  25.347  -3.292
  627   2HZ   LYS  78          2HZ       LYS  78   7.056  24.171  -3.801
  628   3HZ   LYS  78          3HZ       LYS  78   6.359  24.065  -2.264
  629    H    ARG  79           H        ARG  79   2.986  16.811  -2.108
  630    HA   ARG  79           HA       ARG  79   3.892  17.010   0.565
  631   1HB   ARG  79          2HB       ARG  79   2.812  14.667  -0.999
  632   2HB   ARG  79          1HB       ARG  79   3.162  14.609   0.720
  633   1HG   ARG  79          2HG       ARG  79   1.197  16.485  -0.577
  634   2HG   ARG  79          1HG       ARG  79   0.780  14.972   0.231
  635   1HD   ARG  79          2HD       ARG  79   1.375  15.787   2.332
  636   2HD   ARG  79          1HD       ARG  79   2.350  17.089   1.654
  637    HE   ARG  79           HE       ARG  79  -0.498  17.210   1.110
  638   1HH1  ARG  79          1HH1      ARG  79   2.151  18.267   3.129
  639   2HH1  ARG  79          2HH1      ARG  79   1.309  19.662   3.714
  640   1HH2  ARG  79          1HH2      ARG  79  -1.605  19.040   1.886
  641   2HH2  ARG  79          2HH2      ARG  79  -0.823  20.100   3.011
  642    H    LYS  80           H        LYS  80   5.429  16.115  -2.286
  643    HA   LYS  80           HA       LYS  80   7.479  15.300  -2.769
  644   1HB   LYS  80          2HB       LYS  80   7.940  15.799   0.176
  645   2HB   LYS  80          1HB       LYS  80   9.205  15.367  -0.967
  646   1HG   LYS  80          2HG       LYS  80   7.646  17.907  -0.750
  647   2HG   LYS  80          1HG       LYS  80   9.392  17.668  -0.824
  648   1HD   LYS  80          2HD       LYS  80   9.161  16.955  -3.181
  649   2HD   LYS  80          1HD       LYS  80   7.429  17.286  -3.093
  650   1HE   LYS  80          2HE       LYS  80   8.242  19.232  -4.032
  651   2HE   LYS  80          1HE       LYS  80   8.191  19.648  -2.319
  652   1HZ   LYS  80          1HZ       LYS  80  10.278  20.343  -2.896
  653   2HZ   LYS  80          2HZ       LYS  80  10.516  19.111  -4.029
  654   3HZ   LYS  80          3HZ       LYS  80  10.624  18.770  -2.377
  655    H    GLY  81           H        GLY  81   8.444  13.336  -2.969
  656   1HA   GLY  81          2HA       GLY  81   8.936  11.107  -2.374
  657   2HA   GLY  81          1HA       GLY  81   7.797  11.239  -1.040
  658    H    PHE  82           H        PHE  82   5.905  12.517  -3.184
  659    HA   PHE  82           HA       PHE  82   4.308  10.268  -3.617
  660   1HB   PHE  82          2HB       PHE  82   3.482  12.576  -3.741
  661   2HB   PHE  82          1HB       PHE  82   4.411  12.838  -5.213
  662    HD1  PHE  82           1HD      PHE  82   1.417  11.415  -3.768
  663    HD2  PHE  82           2HD      PHE  82   3.785  11.685  -7.290
  664    HE1  PHE  82           1HE      PHE  82  -0.468  10.573  -5.096
  665    HE2  PHE  82           2HE      PHE  82   1.901  10.845  -8.629
  666    HZ   PHE  82           HZ       PHE  82  -0.230  10.282  -7.527
  667    H    SER  83           H        SER  83   6.312  12.014  -5.989
  668    HA   SER  83           HA       SER  83   5.957  10.333  -8.149
  669   1HB   SER  83          2HB       SER  83   8.651  11.542  -7.620
  670   2HB   SER  83          1HB       SER  83   7.782  11.382  -9.146
  671    HG   SER  83           HG       SER  83   7.213  13.369  -8.772
  672    H    GLU  84           H        GLU  84   8.416  10.096  -5.587
  673    HA   GLU  84           HA       GLU  84   9.903   7.977  -6.512
  674   1HB   GLU  84          2HB       GLU  84   9.062   8.700  -3.708
  675   2HB   GLU  84          1HB       GLU  84  10.170   7.376  -4.042
  676   1HG   GLU  84          2HG       GLU  84  11.603   9.055  -5.268
  677   2HG   GLU  84          1HG       GLU  84  10.569  10.302  -4.572
  678    H    GLY  85           H        GLY  85   6.692   7.970  -5.112
  679   1HA   GLY  85          2HA       GLY  85   6.533   5.133  -4.790
  680   2HA   GLY  85          1HA       GLY  85   5.188   6.265  -4.732
  681    H    LEU  86           H        LEU  86   5.763   7.402  -7.352
  682    HA   LEU  86           HA       LEU  86   4.172   5.723  -8.945
  683   1HB   LEU  86          2HB       LEU  86   5.991   8.028  -9.613
  684   2HB   LEU  86          1HB       LEU  86   5.087   7.178 -10.850
  685    HG   LEU  86           HG       LEU  86   3.892   8.659  -8.506
  686   1HD1  LEU  86          1HD1      LEU  86   4.366  10.420  -9.820
  687   2HD1  LEU  86          2HD1      LEU  86   2.963   9.871 -10.737
  688   3HD1  LEU  86          3HD1      LEU  86   4.587   9.423 -11.258
  689   1HD2  LEU  86          1HD2      LEU  86   2.817   6.622 -10.217
  690   2HD2  LEU  86          2HD2      LEU  86   1.980   8.148 -10.501
  691   3HD2  LEU  86          3HD2      LEU  86   2.052   7.473  -8.874
  692    H    TRP  87           H        TRP  87   7.666   6.222  -8.818
  693    HA   TRP  87           HA       TRP  87   8.354   4.523 -10.962
  694   1HB   TRP  87          2HB       TRP  87   9.932   6.153 -10.078
  695   2HB   TRP  87          1HB       TRP  87   9.940   5.347  -8.513
  696    HD1  TRP  87           HD       TRP  87  11.502   5.207 -11.947
  697    HE1  TRP  87           1HE      TRP  87  13.286   3.354 -12.001
  698    HE3  TRP  87           3HE      TRP  87  10.498   2.980  -7.454
  699    HZ2  TRP  87           2HZ      TRP  87  14.150   1.223 -10.357
  700    HZ3  TRP  87           3HZ      TRP  87  11.846   1.041  -6.770
  701    HH2  TRP  87           HH       TRP  87  13.633   0.180  -8.193
  702    H    GLU  88           H        GLU  88   8.117   3.926  -7.451
  703    HA   GLU  88           HA       GLU  88   9.024   1.270  -7.514
  704   1HB   GLU  88          2HB       GLU  88   7.719   3.044  -5.588
  705   2HB   GLU  88          1HB       GLU  88   7.284   1.354  -5.378
  706   1HG   GLU  88          2HG       GLU  88   9.130   1.251  -4.133
  707   2HG   GLU  88          1HG       GLU  88   9.972   1.169  -5.680
  708    H    ILE  89           H        ILE  89   5.663   2.512  -7.471
  709    HA   ILE  89           HA       ILE  89   4.343   0.096  -7.502
  710    HB   ILE  89           HB       ILE  89   3.268   2.301  -7.252
  711   1HG1  ILE  89          2HG1      ILE  89   1.617   1.360  -9.421
  712   2HG1  ILE  89          1HG1      ILE  89   2.257  -0.000  -8.498
  713   1HG2  ILE  89          1HG2      ILE  89   2.534   3.310  -9.550
  714   2HG2  ILE  89          2HG2      ILE  89   4.022   2.549 -10.118
  715   3HG2  ILE  89          3HG2      ILE  89   4.081   3.742  -8.821
  716   1HD1  ILE  89          1HD1      ILE  89   0.167   1.838  -7.827
  717   2HD1  ILE  89          2HD1      ILE  89   1.442   1.873  -6.605
  718   3HD1  ILE  89          3HD1      ILE  89   0.658   0.348  -7.019
  719    H    GLU  90           H        GLU  90   6.101   1.628 -10.068
  720    HA   GLU  90           HA       GLU  90   5.016  -0.236 -12.045
  721   1HB   GLU  90          2HB       GLU  90   5.972   2.453 -12.145
  722   2HB   GLU  90          1HB       GLU  90   6.959   1.467 -13.216
  723   1HG   GLU  90          2HG       GLU  90   3.952   1.573 -13.272
  724   2HG   GLU  90          1HG       GLU  90   5.014   2.504 -14.328
  725    H    ASN  91           H        ASN  91   8.153   0.758 -10.693
  726    HA   ASN  91           HA       ASN  91   9.569  -1.255 -12.192
  727   1HB   ASN  91          2HB       ASN  91  10.275   1.004 -10.458
  728   2HB   ASN  91          1HB       ASN  91  11.348  -0.381 -10.295
  729   1HD2  ASN  91          1HD2      ASN  91   9.827   1.684 -12.730
  730   2HD2  ASN  91          2HD2      ASN  91  11.151   1.647 -13.840
  731    H    ASN  92           H        ASN  92   8.338  -0.922  -8.916
  732    HA   ASN  92           HA       ASN  92   8.713  -3.750  -8.487
  733   1HB   ASN  92          2HB       ASN  92  10.838  -2.303  -7.759
  734   2HB   ASN  92          1HB       ASN  92   9.860  -2.071  -6.313
  735   1HD2  ASN  92          1HD2      ASN  92   9.249  -3.906  -5.092
  736   2HD2  ASN  92          2HD2      ASN  92  10.168  -5.367  -5.170
  737    HA   PRO  93           HA       PRO  93   4.956  -1.972  -6.486
  738   1HB   PRO  93          2HB       PRO  93   3.230  -3.854  -7.347
  739   2HB   PRO  93          1HB       PRO  93   3.707  -2.481  -8.355
  740   1HG   PRO  93          2HG       PRO  93   4.725  -5.298  -8.388
  741   2HG   PRO  93          1HG       PRO  93   4.294  -4.250  -9.752
  742   1HD   PRO  93          2HD       PRO  93   6.859  -4.640  -8.940
  743   2HD   PRO  93          1HD       PRO  93   6.304  -3.129  -9.687
  744    H    THR  94           H        THR  94   6.731  -4.858  -6.196
  745    HA   THR  94           HA       THR  94   5.089  -5.791  -3.956
  746    HB   THR  94           HB       THR  94   6.455  -7.847  -4.081
  747    HG1  THR  94           1HG      THR  94   8.323  -6.749  -4.998
  748   1HG2  THR  94          1HG2      THR  94   5.902  -8.108  -6.764
  749   2HG2  THR  94          2HG2      THR  94   4.733  -6.909  -6.211
  750   3HG2  THR  94          3HG2      THR  94   4.816  -8.487  -5.428
  751    H    VAL  95           H        VAL  95   7.272  -3.528  -4.166
  752    HA   VAL  95           HA       VAL  95   9.388  -4.278  -2.471
  753    HB   VAL  95           HB       VAL  95   9.484  -2.284  -3.889
  754   1HG1  VAL  95          1HG1      VAL  95   8.212  -0.283  -2.483
  755   2HG1  VAL  95          2HG1      VAL  95   7.053  -1.612  -2.443
  756   3HG1  VAL  95          3HG1      VAL  95   7.654  -1.012  -3.989
  757   1HG2  VAL  95          1HG2      VAL  95   9.724  -1.045  -1.230
  758   2HG2  VAL  95          2HG2      VAL  95  10.919  -1.222  -2.515
  759   3HG2  VAL  95          3HG2      VAL  95  10.576  -2.575  -1.438
  760    H    LYS  96           H        LYS  96   9.718  -4.010  -0.275
  761    HA   LYS  96           HA       LYS  96   7.729  -2.859   1.436
  762   1HB   LYS  96          2HB       LYS  96   7.371  -5.011   2.723
  763   2HB   LYS  96          1HB       LYS  96   6.568  -4.906   1.163
  764   1HG   LYS  96          2HG       LYS  96   7.849  -6.532   0.234
  765   2HG   LYS  96          1HG       LYS  96   9.258  -6.140   1.221
  766   1HD   LYS  96          2HD       LYS  96   8.674  -7.590   2.835
  767   2HD   LYS  96          1HD       LYS  96   6.971  -7.137   2.753
  768   1HE   LYS  96          2HE       LYS  96   6.894  -9.318   2.023
  769   2HE   LYS  96          1HE       LYS  96   7.027  -8.446   0.496
  770   1HZ   LYS  96          1HZ       LYS  96   9.604  -8.834   1.149
  771   2HZ   LYS  96          2HZ       LYS  96   8.715  -9.848   0.129
  772   3HZ   LYS  96          3HZ       LYS  96   8.898 -10.244   1.762
  773    H    ALA  97           H        ALA  97   8.804  -1.925   3.028
  774    HA   ALA  97           HA       ALA  97  10.439  -1.397   4.520
  775   1HB   ALA  97          1HB       ALA  97  10.829  -4.386   4.609
  776   2HB   ALA  97          2HB       ALA  97   9.675  -3.466   5.575
  777   3HB   ALA  97          3HB       ALA  97  11.407  -3.227   5.807
  778    H    SER  98           H        SER  98  12.840  -1.554   4.973
  779    HA   SER  98           HA       SER  98  14.980  -1.298   4.244
  780   1HB   SER  98          2HB       SER  98  14.070  -3.609   2.540
  781   2HB   SER  98          1HB       SER  98  15.699  -2.950   2.397
  782    HG   SER  98           HG       SER  98  16.213  -3.927   4.179
  783    H    GLY  99           H        GLY  99  15.321   0.634   3.341
  784   1HA   GLY  99          2HA       GLY  99  14.028   1.424   0.894
  785   2HA   GLY  99          1HA       GLY  99  15.176   2.376   1.823
  786    H    TYR 100           H        TYR 100  15.243  -0.692  -0.007
  787    HA   TYR 100           HA       TYR 100  16.732  -1.518  -1.514
  788   1HB   TYR 100          2HB       TYR 100  15.839   0.702  -2.602
  789   2HB   TYR 100          1HB       TYR 100  17.484   1.266  -2.321
  790    HD1  TYR 100           1HD      TYR 100  15.369  -1.007  -4.242
  791    HD2  TYR 100           2HD      TYR 100  19.357   0.285  -3.528
  792    HE1  TYR 100           1HE      TYR 100  16.090  -2.107  -6.318
  793    HE2  TYR 100           2HE      TYR 100  20.090  -0.809  -5.601
  794    HH   TYR 100           HH       TYR 100  18.860  -1.477  -7.866
  795    H    GLN 101           H        GLN 101  18.218  -2.349  -0.036
  796    HA   GLN 101           HA       GLN 101  20.420  -0.664   0.842
  797   1HB   GLN 101          2HB       GLN 101  19.894  -3.595   1.364
  798   2HB   GLN 101          1HB       GLN 101  21.123  -2.610   2.147
  799   1HG   GLN 101          2HG       GLN 101  19.361  -1.208   3.118
  800   2HG   GLN 101          1HG       GLN 101  18.145  -2.235   2.362
  801   1HE2  GLN 101          1HE2      GLN 101  19.028  -1.590   5.220
  802   2HE2  GLN 101          2HE2      GLN 101  19.131  -3.141   5.971
  803    H    SER 102           H        SER 102  21.525  -0.240  -1.077
  804    HA   SER 102           HA       SER 102  22.319  -2.237  -2.920
  805   1HB   SER 102          2HB       SER 102  23.832  -0.502  -3.821
  806   2HB   SER 102          1HB       SER 102  22.204   0.122  -3.558
  807    HG   SER 102           HG       SER 102  24.490   0.512  -1.926
  808    H    SER 103           H        SER 103  24.827  -2.344  -3.437
  809    HA   SER 103           HA       SER 103  26.830  -3.252  -2.860
  810   1HB   SER 103          2HB       SER 103  26.838  -1.014  -1.539
  811   2HB   SER 103          1HB       SER 103  26.572  -2.033  -0.124
  812    HG   SER 103           HG       SER 103  28.481  -3.227  -0.887
  813    H    GLN 104           H        GLN 104  26.722  -5.401  -2.702
  814    HA   GLN 104           HA       GLN 104  26.426  -6.619  -0.118
  815   1HB   GLN 104          2HB       GLN 104  24.077  -6.290  -1.472
  816   2HB   GLN 104          1HB       GLN 104  24.568  -7.887  -2.018
  817   1HG   GLN 104          2HG       GLN 104  24.000  -8.817  -0.088
  818   2HG   GLN 104          1HG       GLN 104  24.885  -7.606   0.838
  819   1HE2  GLN 104          1HE2      GLN 104  23.732  -6.308   2.072
  820   2HE2  GLN 104          2HE2      GLN 104  22.041  -5.995   1.918
  821    H    LYS 105           H        LYS 105  28.556  -6.496  -1.904
  822    HA   LYS 105           HA       LYS 105  28.658  -9.146  -3.152
  823   1HB   LYS 105          2HB       LYS 105  30.781  -8.295  -4.174
  824   2HB   LYS 105          1HB       LYS 105  29.343  -7.392  -4.628
  825   1HG   LYS 105          2HG       LYS 105  30.492  -6.207  -2.298
  826   2HG   LYS 105          1HG       LYS 105  31.741  -6.413  -3.527
  827   1HD   LYS 105          2HD       LYS 105  29.884  -5.426  -5.109
  828   2HD   LYS 105          1HD       LYS 105  29.251  -4.773  -3.596
  829   1HE   LYS 105          2HE       LYS 105  32.150  -4.440  -4.167
  830   2HE   LYS 105          1HE       LYS 105  31.008  -3.447  -5.071
  831   1HZ   LYS 105          1HZ       LYS 105  31.023  -3.632  -2.110
  832   2HZ   LYS 105          2HZ       LYS 105  30.168  -2.531  -3.067
  833   3HZ   LYS 105          3HZ       LYS 105  31.853  -2.436  -2.972
  834    H    LYS 106           H        LYS 106  28.753  -8.819  -0.271
  835    HA   LYS 106           HA       LYS 106  29.888  -9.618   1.530
  836   1HB   LYS 106          2HB       LYS 106  30.933 -11.169  -0.756
  837   2HB   LYS 106          1HB       LYS 106  31.933 -11.192   0.690
  838   1HG   LYS 106          2HG       LYS 106  30.309 -12.250   1.955
  839   2HG   LYS 106          1HG       LYS 106  29.005 -11.760   0.873
  840   1HD   LYS 106          2HD       LYS 106  31.100 -13.456  -0.324
  841   2HD   LYS 106          1HD       LYS 106  30.090 -14.230   0.898
  842   1HE   LYS 106          2HE       LYS 106  28.837 -12.630  -1.296
  843   2HE   LYS 106          1HE       LYS 106  29.366 -14.285  -1.600
  844   1HZ   LYS 106          1HZ       LYS 106  27.579 -13.584   0.653
  845   2HZ   LYS 106          2HZ       LYS 106  27.883 -15.113   0.000
  846   3HZ   LYS 106          3HZ       LYS 106  26.986 -13.982  -0.880
  847    H    SER 107           H        SER 107  30.790  -7.810   2.399
  848    HA   SER 107           HA       SER 107  33.637  -7.411   1.869
  849   1HB   SER 107          2HB       SER 107  32.075  -5.753   0.574
  850   2HB   SER 107          1HB       SER 107  31.900  -4.982   2.150
  851    HG   SER 107           HG       SER 107  34.340  -5.485   0.786
  852    H    CYS 108           H        CYS 108  34.671  -7.528   3.739
  853    HA   CYS 108           HA       CYS 108  33.231  -7.154   6.231
  854   1HB   CYS 108          2HB       CYS 108  34.940  -9.027   5.694
  855   2HB   CYS 108          1HB       CYS 108  36.159  -7.798   6.016
  856    HG   CYS 108           HG       CYS 108  34.105  -8.618   8.204
  857    H    ALA 109           H        ALA 109  36.290  -5.928   4.860
  858    HA   ALA 109           HA       ALA 109  35.730  -3.249   5.674
  859   1HB   ALA 109          1HB       ALA 109  38.142  -3.685   7.058
  860   2HB   ALA 109          2HB       ALA 109  37.028  -4.953   7.570
  861   3HB   ALA 109          3HB       ALA 109  36.566  -3.258   7.729
  862    H    GLU 110           H        GLU 110  37.955  -1.946   5.534
  863    HA   GLU 110           HA       GLU 110  39.862  -2.994   3.670
  864   1HB   GLU 110          2HB       GLU 110  37.548  -1.520   2.689
  865   2HB   GLU 110          1HB       GLU 110  39.064  -0.759   2.227
  866   1HG   GLU 110          2HG       GLU 110  39.768  -2.614   1.014
  867   2HG   GLU 110          1HG       GLU 110  38.614  -3.686   1.806
  Start of MODEL   15
    1   1H    MET   1          1HT       MET   1 -16.602  -5.039 -18.458
    2   2H    MET   1          2HT       MET   1 -17.321  -5.814 -19.810
    3   3H    MET   1          3HT       MET   1 -15.614  -5.797 -19.637
    4    HA   MET   1           HA       MET   1 -16.212  -7.890 -18.999
    5   1HB   MET   1          2HB       MET   1 -15.259  -5.979 -17.130
    6   2HB   MET   1          1HB       MET   1 -16.321  -7.070 -16.251
    7   1HG   MET   1          2HG       MET   1 -14.933  -8.901 -17.542
    8   2HG   MET   1          1HG       MET   1 -13.735  -7.611 -17.599
    9   1HE   MET   1          1HE       MET   1 -12.694 -10.261 -15.014
   10   2HE   MET   1          2HE       MET   1 -11.767  -8.829 -15.464
   11   3HE   MET   1          3HE       MET   1 -12.655  -9.728 -16.695
   12    H    SER   2           H        SER   2 -18.210  -5.648 -17.068
   13    HA   SER   2           HA       SER   2 -20.595  -7.136 -17.642
   14   1HB   SER   2          2HB       SER   2 -20.878  -7.271 -14.951
   15   2HB   SER   2          1HB       SER   2 -20.277  -8.606 -15.934
   16    HG   SER   2           HG       SER   2 -18.581  -6.646 -14.795
   17    H    ARG   3           H        ARG   3 -22.517  -6.127 -16.740
   18    HA   ARG   3           HA       ARG   3 -22.119  -3.250 -16.401
   19   1HB   ARG   3          2HB       ARG   3 -23.855  -4.638 -17.983
   20   2HB   ARG   3          1HB       ARG   3 -24.870  -4.284 -16.593
   21   1HG   ARG   3          2HG       ARG   3 -25.127  -2.175 -17.224
   22   2HG   ARG   3          1HG       ARG   3 -23.386  -1.948 -17.390
   23   1HD   ARG   3          2HD       ARG   3 -23.513  -2.065 -19.611
   24   2HD   ARG   3          1HD       ARG   3 -24.430  -3.568 -19.539
   25    HE   ARG   3           HE       ARG   3 -25.461  -0.965 -20.032
   26   1HH1  ARG   3          1HH1      ARG   3 -26.232  -4.021 -18.534
   27   2HH1  ARG   3          2HH1      ARG   3 -27.942  -3.826 -18.727
   28   1HH2  ARG   3          1HH2      ARG   3 -27.709  -0.704 -20.283
   29   2HH2  ARG   3          2HH2      ARG   3 -28.782  -1.944 -19.720
   30    H    SER   4           H        SER   4 -23.415  -6.057 -14.760
   31    HA   SER   4           HA       SER   4 -24.798  -4.730 -12.699
   32   1HB   SER   4          2HB       SER   4 -23.847  -7.469 -13.224
   33   2HB   SER   4          1HB       SER   4 -23.989  -7.058 -11.514
   34    HG   SER   4           HG       SER   4 -26.062  -6.551 -13.370
   35    H    ASN   5           H        ASN   5 -23.852  -3.220 -11.477
   36    HA   ASN   5           HA       ASN   5 -21.245  -3.864 -10.264
   37   1HB   ASN   5          2HB       ASN   5 -22.029  -1.586 -11.803
   38   2HB   ASN   5          1HB       ASN   5 -21.701  -1.056 -10.157
   39   1HD2  ASN   5          1HD2      ASN   5 -20.323  -3.227 -12.604
   40   2HD2  ASN   5          2HD2      ASN   5 -18.680  -2.762 -12.336
   41    H    ARG   6           H        ARG   6 -21.477  -4.348  -8.192
   42    HA   ARG   6           HA       ARG   6 -23.466  -2.853  -6.613
   43   1HB   ARG   6          2HB       ARG   6 -22.839  -5.745  -6.744
   44   2HB   ARG   6          1HB       ARG   6 -23.138  -5.087  -5.141
   45   1HG   ARG   6          2HG       ARG   6 -25.332  -4.866  -5.506
   46   2HG   ARG   6          1HG       ARG   6 -25.098  -4.264  -7.148
   47   1HD   ARG   6          2HD       ARG   6 -24.331  -6.932  -7.270
   48   2HD   ARG   6          1HD       ARG   6 -25.751  -6.931  -6.225
   49    HE   ARG   6           HE       ARG   6 -26.174  -5.375  -8.570
   50   1HH1  ARG   6          1HH1      ARG   6 -26.076  -8.656  -7.386
   51   2HH1  ARG   6          2HH1      ARG   6 -27.147  -9.260  -8.605
   52   1HH2  ARG   6          1HH2      ARG   6 -27.586  -6.166 -10.172
   53   2HH2  ARG   6          2HH2      ARG   6 -28.005  -7.847 -10.186
   54    H    GLN   7           H        GLN   7 -20.316  -4.461  -6.571
   55    HA   GLN   7           HA       GLN   7 -19.192  -2.445  -4.897
   56   1HB   GLN   7          2HB       GLN   7 -20.418  -4.649  -3.586
   57   2HB   GLN   7          1HB       GLN   7 -18.679  -4.833  -3.406
   58   1HG   GLN   7          2HG       GLN   7 -18.470  -2.749  -2.325
   59   2HG   GLN   7          1HG       GLN   7 -20.104  -2.268  -2.778
   60   1HE2  GLN   7          1HE2      GLN   7 -18.288  -4.613  -0.867
   61   2HE2  GLN   7          2HE2      GLN   7 -19.492  -4.821   0.354
   62    H    LYS   8           H        LYS   8 -16.946  -2.515  -4.856
   63    HA   LYS   8           HA       LYS   8 -15.764  -4.496  -6.678
   64   1HB   LYS   8          2HB       LYS   8 -15.567  -2.129  -7.352
   65   2HB   LYS   8          1HB       LYS   8 -14.709  -1.786  -5.856
   66   1HG   LYS   8          2HG       LYS   8 -13.203  -2.016  -7.778
   67   2HG   LYS   8          1HG       LYS   8 -12.885  -3.217  -6.525
   68   1HD   LYS   8          2HD       LYS   8 -13.301  -4.905  -7.922
   69   2HD   LYS   8          1HD       LYS   8 -14.818  -4.179  -8.455
   70   1HE   LYS   8          2HE       LYS   8 -13.538  -2.714  -9.978
   71   2HE   LYS   8          1HE       LYS   8 -12.057  -3.534  -9.485
   72   1HZ   LYS   8          1HZ       LYS   8 -14.328  -5.062 -10.585
   73   2HZ   LYS   8          2HZ       LYS   8 -12.691  -5.482 -10.535
   74   3HZ   LYS   8          3HZ       LYS   8 -13.226  -4.296 -11.615
   75    H    GLU   9           H        GLU   9 -14.712  -6.087  -5.729
   76    HA   GLU   9           HA       GLU   9 -13.575  -5.703  -3.063
   77   1HB   GLU   9          2HB       GLU   9 -14.309  -8.103  -4.702
   78   2HB   GLU   9          1HB       GLU   9 -13.167  -8.267  -3.375
   79   1HG   GLU   9          2HG       GLU   9 -14.871  -8.469  -1.986
   80   2HG   GLU   9          1HG       GLU   9 -15.333  -6.809  -2.356
   81    H    TYR  10           H        TYR  10 -11.418  -5.967  -2.591
   82    HA   TYR  10           HA       TYR  10  -9.610  -6.125  -4.919
   83   1HB   TYR  10          2HB       TYR  10  -9.214  -4.683  -2.286
   84   2HB   TYR  10          1HB       TYR  10  -8.017  -4.786  -3.573
   85    HD1  TYR  10           1HD      TYR  10 -11.256  -3.345  -2.590
   86    HD2  TYR  10           2HD      TYR  10  -8.203  -3.435  -5.552
   87    HE1  TYR  10           1HE      TYR  10 -12.225  -1.345  -3.642
   88    HE2  TYR  10           2HE      TYR  10  -9.162  -1.432  -6.610
   89    HH   TYR  10           HH       TYR  10 -11.271  -0.246  -6.734
   90    H    LYS  11           H        LYS  11  -7.512  -7.123  -4.552
   91    HA   LYS  11           HA       LYS  11  -7.495  -9.042  -2.327
   92   1HB   LYS  11          2HB       LYS  11  -6.944  -9.577  -5.243
   93   2HB   LYS  11          1HB       LYS  11  -6.424 -10.668  -3.965
   94   1HG   LYS  11          2HG       LYS  11  -9.290  -9.840  -4.191
   95   2HG   LYS  11          1HG       LYS  11  -8.638 -11.139  -5.194
   96   1HD   LYS  11          2HD       LYS  11  -8.852 -12.565  -3.503
   97   2HD   LYS  11          1HD       LYS  11  -7.783 -11.570  -2.514
   98   1HE   LYS  11          2HE       LYS  11  -9.569 -11.326  -1.184
   99   2HE   LYS  11          1HE       LYS  11 -10.116 -10.165  -2.393
  100   1HZ   LYS  11          1HZ       LYS  11 -10.767 -12.941  -2.934
  101   2HZ   LYS  11          2HZ       LYS  11 -11.710 -11.550  -3.125
  102   3HZ   LYS  11          3HZ       LYS  11 -11.552 -12.260  -1.598
  103    H    CYS  12           H        CYS  12  -5.363  -9.844  -1.756
  104    HA   CYS  12           HA       CYS  12  -3.465  -7.858  -1.415
  105   1HB   CYS  12          2HB       CYS  12  -3.587  -9.969  -0.111
  106   2HB   CYS  12          1HB       CYS  12  -2.944 -10.839  -1.500
  107    HG   CYS  12           HG       CYS  12  -1.025 -10.257   0.207
  108    H    GLY  13           H        GLY  13  -1.825  -7.039  -2.643
  109   1HA   GLY  13          2HA       GLY  13  -0.071  -7.200  -4.231
  110   2HA   GLY  13          1HA       GLY  13  -0.896  -8.565  -4.960
  111    H    ASP  14           H        ASP  14  -3.397  -6.635  -4.641
  112    HA   ASP  14           HA       ASP  14  -3.331  -5.778  -7.364
  113   1HB   ASP  14          2HB       ASP  14  -5.323  -6.272  -5.485
  114   2HB   ASP  14          1HB       ASP  14  -5.424  -4.539  -5.766
  115    H    LEU  15           H        LEU  15  -3.179  -3.728  -8.212
  116    HA   LEU  15           HA       LEU  15  -1.888  -1.759  -6.491
  117   1HB   LEU  15          2HB       LEU  15  -2.338  -1.686  -9.476
  118   2HB   LEU  15          1HB       LEU  15  -1.309  -0.607  -8.552
  119    HG   LEU  15           HG       LEU  15  -0.863  -3.548  -9.050
  120   1HD1  LEU  15          1HD1      LEU  15  -0.277  -2.175 -10.938
  121   2HD1  LEU  15          2HD1      LEU  15   1.196  -2.728 -10.143
  122   3HD1  LEU  15          3HD1      LEU  15   0.632  -1.074  -9.901
  123   1HD2  LEU  15          1HD2      LEU  15   1.411  -2.477  -7.866
  124   2HD2  LEU  15          2HD2      LEU  15   0.261  -3.593  -7.130
  125   3HD2  LEU  15          3HD2      LEU  15   0.073  -1.855  -6.900
  126    H    VAL  16           H        VAL  16  -3.016  -0.196  -5.572
  127    HA   VAL  16           HA       VAL  16  -5.306   0.950  -6.990
  128    HB   VAL  16           HB       VAL  16  -6.636   0.981  -4.897
  129   1HG1  VAL  16          1HG1      VAL  16  -5.848  -1.599  -6.191
  130   2HG1  VAL  16          2HG1      VAL  16  -7.334  -0.665  -6.373
  131   3HG1  VAL  16          3HG1      VAL  16  -7.038  -1.575  -4.891
  132   1HG2  VAL  16          1HG2      VAL  16  -4.188  -0.251  -3.859
  133   2HG2  VAL  16          2HG2      VAL  16  -5.678  -1.051  -3.360
  134   3HG2  VAL  16          3HG2      VAL  16  -5.442   0.664  -3.024
  135    H    PHE  17           H        PHE  17  -6.137   2.918  -5.799
  136    HA   PHE  17           HA       PHE  17  -3.851   4.476  -4.775
  137   1HB   PHE  17          2HB       PHE  17  -6.158   5.167  -6.541
  138   2HB   PHE  17          1HB       PHE  17  -5.556   6.411  -5.450
  139    HD1  PHE  17           1HD      PHE  17  -5.363   5.333  -8.668
  140    HD2  PHE  17           2HD      PHE  17  -2.815   6.373  -5.429
  141    HE1  PHE  17           1HE      PHE  17  -3.558   5.838 -10.256
  142    HE2  PHE  17           2HE      PHE  17  -1.003   6.879  -7.006
  143    HZ   PHE  17           HZ       PHE  17  -1.369   6.615  -9.428
  144    H    ALA  18           H        ALA  18  -4.034   5.464  -2.795
  145    HA   ALA  18           HA       ALA  18  -6.571   5.053  -1.367
  146   1HB   ALA  18          1HB       ALA  18  -5.286   3.882   0.037
  147   2HB   ALA  18          2HB       ALA  18  -4.706   5.450   0.599
  148   3HB   ALA  18          3HB       ALA  18  -3.795   4.557  -0.620
  149    H    LYS  19           H        LYS  19  -7.669   6.800  -0.830
  150    HA   LYS  19           HA       LYS  19  -6.396   9.410  -1.023
  151   1HB   LYS  19          2HB       LYS  19  -8.592   8.966  -2.128
  152   2HB   LYS  19          1HB       LYS  19  -9.304   8.743  -0.535
  153   1HG   LYS  19          2HG       LYS  19  -9.826  10.942  -1.224
  154   2HG   LYS  19          1HG       LYS  19  -8.572  11.081   0.011
  155   1HD   LYS  19          2HD       LYS  19  -7.055  11.906  -1.442
  156   2HD   LYS  19          1HD       LYS  19  -7.600  10.867  -2.760
  157   1HE   LYS  19          2HE       LYS  19  -7.992  13.275  -3.184
  158   2HE   LYS  19          1HE       LYS  19  -9.470  12.315  -3.197
  159   1HZ   LYS  19          1HZ       LYS  19 -10.266  13.364  -1.398
  160   2HZ   LYS  19          2HZ       LYS  19  -9.172  14.583  -1.821
  161   3HZ   LYS  19          3HZ       LYS  19  -8.760  13.454  -0.630
  162    H    MET  20           H        MET  20  -5.826  10.604   0.661
  163    HA   MET  20           HA       MET  20  -6.880   9.892   3.317
  164   1HB   MET  20          2HB       MET  20  -4.043  10.422   2.475
  165   2HB   MET  20          1HB       MET  20  -4.554  10.677   4.138
  166   1HG   MET  20          2HG       MET  20  -4.563   8.498   4.593
  167   2HG   MET  20          1HG       MET  20  -5.362   8.090   3.076
  168   1HE   MET  20          1HE       MET  20  -2.440   8.701   5.084
  169   2HE   MET  20          2HE       MET  20  -1.001   8.504   4.084
  170   3HE   MET  20          3HE       MET  20  -1.826   7.086   4.730
  171    H    LYS  21           H        LYS  21  -7.162  11.599   4.783
  172    HA   LYS  21           HA       LYS  21  -7.957  14.055   3.672
  173   1HB   LYS  21          2HB       LYS  21  -8.208  14.807   6.005
  174   2HB   LYS  21          1HB       LYS  21  -8.917  13.220   5.743
  175   1HG   LYS  21          2HG       LYS  21  -6.379  12.591   6.537
  176   2HG   LYS  21          1HG       LYS  21  -6.727  14.035   7.489
  177   1HD   LYS  21          2HD       LYS  21  -7.959  12.817   8.880
  178   2HD   LYS  21          1HD       LYS  21  -9.037  12.392   7.549
  179   1HE   LYS  21          2HE       LYS  21  -8.328  10.325   8.344
  180   2HE   LYS  21          1HE       LYS  21  -7.267  10.616   6.967
  181   1HZ   LYS  21          1HZ       LYS  21  -6.316  11.572   9.542
  182   2HZ   LYS  21          2HZ       LYS  21  -5.468  10.828   8.282
  183   3HZ   LYS  21          3HZ       LYS  21  -6.381   9.892   9.355
  184    H    GLY  22           H        GLY  22  -6.830  15.807   3.127
  185   1HA   GLY  22          2HA       GLY  22  -5.221  17.481   3.319
  186   2HA   GLY  22          1HA       GLY  22  -4.440  16.551   4.589
  187    H    TYR  23           H        TYR  23  -5.088  14.672   1.844
  188    HA   TYR  23           HA       TYR  23  -2.655  15.343   0.428
  189   1HB   TYR  23          2HB       TYR  23  -2.828  12.499   1.363
  190   2HB   TYR  23          1HB       TYR  23  -1.420  13.414   0.837
  191    HD1  TYR  23           1HD      TYR  23  -3.474  12.436   3.647
  192    HD2  TYR  23           2HD      TYR  23  -0.385  15.072   2.386
  193    HE1  TYR  23           1HE      TYR  23  -2.888  12.859   5.996
  194    HE2  TYR  23           2HE      TYR  23   0.212  15.504   4.732
  195    HH   TYR  23           HH       TYR  23  -1.769  14.573   7.335
  196    HA   PRO  24           HA       PRO  24  -5.063  13.601  -2.844
  197   1HB   PRO  24          2HB       PRO  24  -3.233  13.438  -4.784
  198   2HB   PRO  24          1HB       PRO  24  -3.739  15.003  -4.136
  199   1HG   PRO  24          2HG       PRO  24  -1.268  13.424  -3.565
  200   2HG   PRO  24          1HG       PRO  24  -1.457  15.173  -3.775
  201   1HD   PRO  24          2HD       PRO  24  -1.299  13.870  -1.332
  202   2HD   PRO  24          1HD       PRO  24  -1.988  15.484  -1.580
  203    H    HIS  25           H        HIS  25  -5.215  11.745  -4.335
  204    HA   HIS  25           HA       HIS  25  -4.963   9.286  -3.146
  205   1HB   HIS  25          2HB       HIS  25  -4.807   9.869  -6.114
  206   2HB   HIS  25          1HB       HIS  25  -5.212   8.317  -5.393
  207    HD1  HIS  25           1HD      HIS  25  -6.582  11.815  -5.768
  208    HD2  HIS  25           2HD      HIS  25  -7.852   8.008  -4.691
  209    HE1  HIS  25           1HE      HIS  25  -9.085  11.968  -5.582
  210    HE2  HIS  25           2HE      HIS  25  -9.822   9.674  -4.846
  211    H    TRP  26           H        TRP  26  -3.178   8.264  -2.433
  212    HA   TRP  26           HA       TRP  26  -0.619   8.750  -3.763
  213   1HB   TRP  26          2HB       TRP  26  -1.136   8.871  -1.172
  214   2HB   TRP  26          1HB       TRP  26  -0.853   7.137  -1.261
  215    HD1  TRP  26           HD       TRP  26   1.662   6.399  -2.186
  216    HE1  TRP  26           1HE      TRP  26   3.927   7.574  -1.805
  217    HE3  TRP  26           3HE      TRP  26  -0.024  11.050  -0.895
  218    HZ2  TRP  26           2HZ      TRP  26   4.860  10.135  -1.063
  219    HZ3  TRP  26           3HZ      TRP  26   1.603  12.796  -0.370
  220    HH2  TRP  26           HH       TRP  26   3.985  12.350  -0.451
  221    HA   PRO  27           HA       PRO  27  -0.796   4.834  -5.895
  222   1HB   PRO  27          2HB       PRO  27   1.966   4.487  -6.037
  223   2HB   PRO  27          1HB       PRO  27   0.984   5.358  -7.218
  224   1HG   PRO  27          2HG       PRO  27   2.625   6.419  -4.962
  225   2HG   PRO  27          1HG       PRO  27   2.379   7.088  -6.586
  226   1HD   PRO  27          2HD       PRO  27   1.127   8.112  -4.449
  227   2HD   PRO  27          1HD       PRO  27   0.320   8.007  -6.029
  228    H    ALA  28           H        ALA  28  -1.312   3.051  -4.807
  229    HA   ALA  28           HA       ALA  28   0.595   1.990  -2.858
  230   1HB   ALA  28          1HB       ALA  28  -2.092   1.687  -1.868
  231   2HB   ALA  28          2HB       ALA  28  -1.685   3.386  -2.103
  232   3HB   ALA  28          3HB       ALA  28  -0.672   2.371  -1.078
  233    H    ARG  29           H        ARG  29  -0.289  -0.174  -1.982
  234    HA   ARG  29           HA       ARG  29  -1.756  -1.691  -4.004
  235   1HB   ARG  29          2HB       ARG  29   0.710  -1.848  -4.498
  236   2HB   ARG  29          1HB       ARG  29   0.910  -2.628  -2.935
  237   1HG   ARG  29          2HG       ARG  29  -0.737  -4.364  -3.720
  238   2HG   ARG  29          1HG       ARG  29  -0.598  -3.645  -5.325
  239   1HD   ARG  29          2HD       ARG  29   0.898  -5.512  -5.184
  240   2HD   ARG  29          1HD       ARG  29   1.850  -4.029  -5.227
  241    HE   ARG  29           HE       ARG  29   1.791  -4.374  -2.646
  242   1HH1  ARG  29          1HH1      ARG  29   2.131  -6.858  -5.084
  243   2HH1  ARG  29          2HH1      ARG  29   3.031  -7.915  -4.052
  244   1HH2  ARG  29          1HH2      ARG  29   2.985  -5.766  -1.301
  245   2HH2  ARG  29          2HH2      ARG  29   3.519  -7.297  -1.910
  246    H    ILE  30           H        ILE  30  -2.527  -3.774  -3.192
  247    HA   ILE  30           HA       ILE  30  -3.275  -3.614  -0.410
  248    HB   ILE  30           HB       ILE  30  -3.789  -5.861  -2.366
  249   1HG1  ILE  30          2HG1      ILE  30  -4.660  -3.695  -3.182
  250   2HG1  ILE  30          1HG1      ILE  30  -5.954  -4.819  -2.777
  251   1HG2  ILE  30          1HG2      ILE  30  -5.191  -6.794  -0.842
  252   2HG2  ILE  30          2HG2      ILE  30  -5.610  -5.245  -0.111
  253   3HG2  ILE  30          3HG2      ILE  30  -4.071  -6.014   0.275
  254   1HD1  ILE  30          1HD1      ILE  30  -5.431  -2.191  -1.757
  255   2HD1  ILE  30          2HD1      ILE  30  -5.478  -3.367  -0.444
  256   3HD1  ILE  30          3HD1      ILE  30  -6.848  -3.217  -1.544
  257    H    ASP  31           H        ASP  31  -2.460  -4.799   1.273
  258    HA   ASP  31           HA       ASP  31  -0.357  -6.749   0.630
  259   1HB   ASP  31          2HB       ASP  31   0.288  -4.400   1.627
  260   2HB   ASP  31          1HB       ASP  31  -0.207  -5.144   3.144
  261    H    GLU  32           H        GLU  32  -3.173  -6.028   2.508
  262    HA   GLU  32           HA       GLU  32  -3.341  -8.743   3.391
  263   1HB   GLU  32          2HB       GLU  32  -1.858  -7.205   5.052
  264   2HB   GLU  32          1HB       GLU  32  -3.461  -6.924   5.716
  265   1HG   GLU  32          2HG       GLU  32  -2.800  -9.734   5.161
  266   2HG   GLU  32          1HG       GLU  32  -1.851  -8.961   6.431
  267    H    MET  33           H        MET  33  -5.384  -9.266   4.300
  268    HA   MET  33           HA       MET  33  -7.377  -7.196   4.560
  269   1HB   MET  33          2HB       MET  33  -8.884  -8.464   2.888
  270   2HB   MET  33          1HB       MET  33  -7.668  -7.360   2.265
  271   1HG   MET  33          2HG       MET  33  -6.494  -9.934   2.514
  272   2HG   MET  33          1HG       MET  33  -8.036 -10.098   1.676
  273   1HE   MET  33          1HE       MET  33  -8.698  -8.065  -0.014
  274   2HE   MET  33          2HE       MET  33  -7.554  -7.430  -1.196
  275   3HE   MET  33          3HE       MET  33  -7.630  -6.730   0.419
  276    HA   PRO  34           HA       PRO  34  -9.393  -9.924   7.353
  277   1HB   PRO  34          2HB       PRO  34 -11.936  -9.684   5.852
  278   2HB   PRO  34          1HB       PRO  34 -11.578  -9.262   7.529
  279   1HG   PRO  34          2HG       PRO  34 -11.920  -7.365   5.684
  280   2HG   PRO  34          1HG       PRO  34 -10.698  -7.192   6.959
  281   1HD   PRO  34          2HD       PRO  34 -10.345  -7.962   4.087
  282   2HD   PRO  34          1HD       PRO  34  -9.346  -6.899   5.100
  283    H    GLU  35           H        GLU  35 -10.773 -11.943   7.509
  284    HA   GLU  35           HA       GLU  35 -10.163 -13.684   5.220
  285   1HB   GLU  35          2HB       GLU  35 -10.270 -15.548   6.850
  286   2HB   GLU  35          1HB       GLU  35  -9.020 -14.371   7.229
  287   1HG   GLU  35          2HG       GLU  35 -10.539 -13.349   8.886
  288   2HG   GLU  35          1HG       GLU  35 -11.714 -14.619   8.548
  289    H    ALA  36           H        ALA  36 -12.678 -12.625   7.381
  290    HA   ALA  36           HA       ALA  36 -14.739 -13.375   5.583
  291   1HB   ALA  36          1HB       ALA  36 -15.635 -15.251   6.495
  292   2HB   ALA  36          2HB       ALA  36 -15.123 -14.832   8.129
  293   3HB   ALA  36          3HB       ALA  36 -13.965 -15.522   6.991
  294    H    ALA  37           H        ALA  37 -13.810 -12.619   8.883
  295    HA   ALA  37           HA       ALA  37 -15.745 -10.454   8.913
  296   1HB   ALA  37          1HB       ALA  37 -15.562 -12.440  11.174
  297   2HB   ALA  37          2HB       ALA  37 -16.860 -12.394   9.981
  298   3HB   ALA  37          3HB       ALA  37 -16.627 -11.037  11.084
  299    H    VAL  38           H        VAL  38 -13.618 -12.038  11.291
  300    HA   VAL  38           HA       VAL  38 -11.882 -11.258  12.541
  301    HB   VAL  38           HB       VAL  38 -11.504  -9.127  10.441
  302   1HG1  VAL  38          1HG1      VAL  38  -9.404 -10.575  12.025
  303   2HG1  VAL  38          2HG1      VAL  38 -10.200  -9.121  12.628
  304   3HG1  VAL  38          3HG1      VAL  38  -9.263  -9.059  11.136
  305   1HG2  VAL  38          1HG2      VAL  38  -9.960 -11.614  10.169
  306   2HG2  VAL  38          2HG2      VAL  38 -10.690 -10.589   8.934
  307   3HG2  VAL  38          3HG2      VAL  38 -11.679 -11.761   9.804
  308    H    LYS  39           H        LYS  39 -12.772 -10.463  14.359
  309    HA   LYS  39           HA       LYS  39 -14.245  -8.014  14.430
  310   1HB   LYS  39          2HB       LYS  39 -13.136  -9.479  16.815
  311   2HB   LYS  39          1HB       LYS  39 -14.558  -8.446  16.740
  312   1HG   LYS  39          2HG       LYS  39 -14.668 -10.762  14.950
  313   2HG   LYS  39          1HG       LYS  39 -14.588 -11.166  16.668
  314   1HD   LYS  39          2HD       LYS  39 -16.624 -10.239  17.120
  315   2HD   LYS  39          1HD       LYS  39 -16.476  -9.027  15.846
  316   1HE   LYS  39          2HE       LYS  39 -18.143 -10.452  15.059
  317   2HE   LYS  39          1HE       LYS  39 -16.694 -11.002  14.221
  318   1HZ   LYS  39          1HZ       LYS  39 -17.783 -12.918  15.003
  319   2HZ   LYS  39          2HZ       LYS  39 -18.036 -12.262  16.541
  320   3HZ   LYS  39          3HZ       LYS  39 -16.475 -12.690  16.052
  321    H    SER  40           H        SER  40 -10.936  -8.737  14.487
  322    HA   SER  40           HA       SER  40 -10.089  -6.579  16.173
  323   1HB   SER  40          2HB       SER  40  -8.767  -8.699  15.686
  324   2HB   SER  40          1HB       SER  40  -8.412  -8.005  14.105
  325    HG   SER  40           HG       SER  40  -7.869  -6.665  16.540
  326    H    THR  41           H        THR  41 -10.348  -7.113  12.685
  327    HA   THR  41           HA       THR  41  -9.465  -4.399  12.115
  328    HB   THR  41           HB       THR  41  -8.739  -6.297  10.690
  329    HG1  THR  41           1HG      THR  41  -8.816  -5.085   8.934
  330   1HG2  THR  41          1HG2      THR  41 -10.097  -7.719   9.659
  331   2HG2  THR  41          2HG2      THR  41 -11.197  -6.438   9.152
  332   3HG2  THR  41          3HG2      THR  41 -11.344  -7.142  10.762
  333    H    ALA  42           H        ALA  42 -10.849  -2.769  12.183
  334    HA   ALA  42           HA       ALA  42 -13.680  -3.153  12.220
  335   1HB   ALA  42          1HB       ALA  42 -12.470  -1.367  13.484
  336   2HB   ALA  42          2HB       ALA  42 -13.829  -0.784  12.523
  337   3HB   ALA  42          3HB       ALA  42 -12.179  -0.556  11.945
  338    H    ASN  43           H        ASN  43 -13.013  -4.300   9.933
  339    HA   ASN  43           HA       ASN  43 -13.418  -4.365   7.718
  340   1HB   ASN  43          2HB       ASN  43 -15.588  -3.254   8.644
  341   2HB   ASN  43          1HB       ASN  43 -14.948  -1.794   7.896
  342   1HD2  ASN  43          1HD2      ASN  43 -16.713  -1.754   6.473
  343   2HD2  ASN  43          2HD2      ASN  43 -16.802  -2.821   5.118
  344    H    LYS  44           H        LYS  44 -11.000  -3.379   8.358
  345    HA   LYS  44           HA       LYS  44 -10.612  -1.320   6.292
  346   1HB   LYS  44          2HB       LYS  44  -8.836  -1.389   8.697
  347   2HB   LYS  44          1HB       LYS  44  -9.209  -0.046   7.622
  348   1HG   LYS  44          2HG       LYS  44 -11.640  -0.774   8.818
  349   2HG   LYS  44          1HG       LYS  44 -10.433  -0.781  10.107
  350   1HD   LYS  44          2HD       LYS  44  -9.782   1.508   8.804
  351   2HD   LYS  44          1HD       LYS  44 -11.527   1.463   8.550
  352   1HE   LYS  44          2HE       LYS  44 -11.933   1.352  10.905
  353   2HE   LYS  44          1HE       LYS  44 -10.215   1.148  11.243
  354   1HZ   LYS  44          1HZ       LYS  44  -9.795   3.339  10.919
  355   2HZ   LYS  44          2HZ       LYS  44 -11.401   3.477  11.427
  356   3HZ   LYS  44          3HZ       LYS  44 -11.029   3.542   9.778
  357    H    TYR  45           H        TYR  45  -8.938  -1.591   4.942
  358    HA   TYR  45           HA       TYR  45  -7.509  -4.147   5.083
  359   1HB   TYR  45          2HB       TYR  45  -7.693  -2.116   2.841
  360   2HB   TYR  45          1HB       TYR  45  -6.926  -3.696   2.736
  361    HD1  TYR  45           1HD      TYR  45  -8.165  -5.552   2.078
  362    HD2  TYR  45           2HD      TYR  45 -10.208  -2.074   3.422
  363    HE1  TYR  45           1HE      TYR  45 -10.308  -6.567   1.424
  364    HE2  TYR  45           2HE      TYR  45 -12.357  -3.076   2.770
  365    HH   TYR  45           HH       TYR  45 -13.329  -5.239   2.352
  366    H    GLN  46           H        GLN  46  -5.206  -4.203   4.537
  367    HA   GLN  46           HA       GLN  46  -3.781  -1.927   5.718
  368   1HB   GLN  46          2HB       GLN  46  -3.540  -4.646   6.159
  369   2HB   GLN  46          1HB       GLN  46  -2.198  -4.307   5.074
  370   1HG   GLN  46          2HG       GLN  46  -1.261  -2.738   6.576
  371   2HG   GLN  46          1HG       GLN  46  -2.711  -2.735   7.580
  372   1HE2  GLN  46          1HE2      GLN  46   0.348  -4.008   7.168
  373   2HE2  GLN  46          2HE2      GLN  46   0.243  -5.318   8.290
  374    H    VAL  47           H        VAL  47  -3.237  -0.480   4.230
  375    HA   VAL  47           HA       VAL  47  -2.401  -1.396   1.578
  376    HB   VAL  47           HB       VAL  47  -3.235   1.351   2.515
  377   1HG1  VAL  47          1HG1      VAL  47  -3.389   1.443  -0.181
  378   2HG1  VAL  47          2HG1      VAL  47  -1.975   0.411   0.033
  379   3HG1  VAL  47          3HG1      VAL  47  -2.009   2.021   0.755
  380   1HG2  VAL  47          1HG2      VAL  47  -4.786  -0.071   0.461
  381   2HG2  VAL  47          2HG2      VAL  47  -5.329   0.909   1.823
  382   3HG2  VAL  47          3HG2      VAL  47  -4.853  -0.770   2.079
  383    H    PHE  48           H        PHE  48  -0.521  -0.808   0.640
  384    HA   PHE  48           HA       PHE  48   1.555   0.294   2.415
  385   1HB   PHE  48          2HB       PHE  48   1.944  -1.998   1.539
  386   2HB   PHE  48          1HB       PHE  48   1.872  -1.363  -0.101
  387    HD1  PHE  48           1HD      PHE  48   3.623  -0.469   3.075
  388    HD2  PHE  48           2HD      PHE  48   3.908  -1.146  -1.117
  389    HE1  PHE  48           1HE      PHE  48   6.032   0.018   3.164
  390    HE2  PHE  48           2HE      PHE  48   6.319  -0.661  -1.035
  391    HZ   PHE  48           HZ       PHE  48   7.384  -0.078   1.108
  392    H    PHE  49           H        PHE  49   2.241   2.286   1.988
  393    HA   PHE  49           HA       PHE  49   1.511   3.546  -0.545
  394   1HB   PHE  49          2HB       PHE  49   2.615   4.756   2.002
  395   2HB   PHE  49          1HB       PHE  49   2.093   5.660   0.582
  396    HD1  PHE  49           1HD      PHE  49  -0.323   5.523  -0.115
  397    HD2  PHE  49           2HD      PHE  49   1.077   4.064   3.625
  398    HE1  PHE  49           1HE      PHE  49  -2.625   5.543   0.749
  399    HE2  PHE  49           2HE      PHE  49  -1.218   4.079   4.495
  400    HZ   PHE  49           HZ       PHE  49  -3.076   4.816   3.059
  401    H    PHE  50           H        PHE  50   2.966   3.329  -2.131
  402    HA   PHE  50           HA       PHE  50   5.667   2.671  -1.797
  403   1HB   PHE  50          2HB       PHE  50   4.197   3.921  -4.123
  404   2HB   PHE  50          1HB       PHE  50   5.888   3.438  -4.203
  405    HD1  PHE  50           1HD      PHE  50   6.319   0.950  -3.357
  406    HD2  PHE  50           2HD      PHE  50   2.636   2.430  -4.894
  407    HE1  PHE  50           1HE      PHE  50   5.640  -1.344  -3.931
  408    HE2  PHE  50           2HE      PHE  50   1.951   0.137  -5.467
  409    HZ   PHE  50           HZ       PHE  50   3.454  -1.753  -4.987
  410    H    GLY  51           H        GLY  51   7.387   4.186  -2.999
  411   1HA   GLY  51          2HA       GLY  51   8.637   6.120  -2.930
  412   2HA   GLY  51          1HA       GLY  51   7.156   6.991  -2.553
  413    H    THR  52           H        THR  52   6.332   6.428  -0.236
  414    HA   THR  52           HA       THR  52   8.532   7.041   1.578
  415    HB   THR  52           HB       THR  52   6.751   7.585   3.187
  416    HG1  THR  52           1HG      THR  52   4.942   6.949   1.102
  417   1HG2  THR  52          1HG2      THR  52   7.341   9.430   1.834
  418   2HG2  THR  52          2HG2      THR  52   5.579   9.387   1.898
  419   3HG2  THR  52          3HG2      THR  52   6.425   8.805   0.463
  420    H    HIS  53           H        HIS  53   6.434   4.451   0.711
  421    HA   HIS  53           HA       HIS  53   6.268   2.291   1.405
  422   1HB   HIS  53          2HB       HIS  53   8.798   2.930   2.943
  423   2HB   HIS  53          1HB       HIS  53   8.153   1.317   2.664
  424    HD1  HIS  53           1HD      HIS  53  10.736   3.314   1.473
  425    HD2  HIS  53           2HD      HIS  53   7.787   1.088  -0.428
  426    HE1  HIS  53           1HE      HIS  53  11.602   2.895  -0.851
  427    HE2  HIS  53           2HE      HIS  53   9.765   1.618  -2.008
  428    H    GLU  54           H        GLU  54   4.866   4.331   2.773
  429    HA   GLU  54           HA       GLU  54   4.961   3.613   5.598
  430   1HB   GLU  54          2HB       GLU  54   3.146   5.562   4.169
  431   2HB   GLU  54          1HB       GLU  54   3.327   5.395   5.910
  432   1HG   GLU  54          2HG       GLU  54   5.569   6.209   5.829
  433   2HG   GLU  54          1HG       GLU  54   5.573   6.179   4.065
  434    H    THR  55           H        THR  55   3.060   2.877   6.749
  435    HA   THR  55           HA       THR  55   1.144   1.478   5.015
  436    HB   THR  55           HB       THR  55   1.180  -0.088   7.245
  437    HG1  THR  55           1HG      THR  55   3.028   1.141   7.996
  438   1HG2  THR  55          1HG2      THR  55   2.087  -0.329   4.557
  439   2HG2  THR  55          2HG2      THR  55   1.532  -1.585   5.664
  440   3HG2  THR  55          3HG2      THR  55   3.235  -1.125   5.632
  441    H    ALA  56           H        ALA  56  -0.941   1.428   5.593
  442    HA   ALA  56           HA       ALA  56  -1.807   2.444   8.167
  443   1HB   ALA  56          1HB       ALA  56  -2.683   4.446   7.546
  444   2HB   ALA  56          2HB       ALA  56  -2.965   3.933   5.881
  445   3HB   ALA  56          3HB       ALA  56  -1.337   4.365   6.407
  446    H    PHE  57           H        PHE  57  -4.259   2.510   8.284
  447    HA   PHE  57           HA       PHE  57  -5.329   0.254   6.737
  448   1HB   PHE  57          2HB       PHE  57  -6.017   1.284   9.489
  449   2HB   PHE  57          1HB       PHE  57  -6.988   0.086   8.641
  450    HD1  PHE  57           1HD      PHE  57  -6.545  -2.144   8.982
  451    HD2  PHE  57           2HD      PHE  57  -3.468   0.708   9.695
  452    HE1  PHE  57           1HE      PHE  57  -5.092  -3.933   9.844
  453    HE2  PHE  57           2HE      PHE  57  -2.009  -1.075  10.557
  454    HZ   PHE  57           HZ       PHE  57  -2.821  -3.399  10.633
  455    H    LEU  58           H        LEU  58  -6.908   0.645   5.327
  456    HA   LEU  58           HA       LEU  58  -8.673   2.936   5.773
  457   1HB   LEU  58          2HB       LEU  58  -6.999   2.425   3.336
  458   2HB   LEU  58          1HB       LEU  58  -8.488   3.344   3.231
  459    HG   LEU  58           HG       LEU  58  -6.218   4.091   5.070
  460   1HD1  LEU  58          1HD1      LEU  58  -6.715   5.676   2.639
  461   2HD1  LEU  58          2HD1      LEU  58  -5.966   4.099   2.391
  462   3HD1  LEU  58          3HD1      LEU  58  -5.200   5.281   3.451
  463   1HD2  LEU  58          1HD2      LEU  58  -7.350   6.281   5.055
  464   2HD2  LEU  58          2HD2      LEU  58  -8.357   4.999   5.729
  465   3HD2  LEU  58          3HD2      LEU  58  -8.649   5.580   4.089
  466    H    GLY  59           H        GLY  59 -10.621   2.878   4.381
  467   1HA   GLY  59          2HA       GLY  59 -11.561   0.124   4.166
  468   2HA   GLY  59          1HA       GLY  59 -12.558   1.570   4.127
  469    HA   PRO  60           HA       PRO  60 -11.869  -0.174  -0.217
  470   1HB   PRO  60          2HB       PRO  60 -14.491  -0.627  -0.790
  471   2HB   PRO  60          1HB       PRO  60 -13.434  -1.842  -0.061
  472   1HG   PRO  60          2HG       PRO  60 -15.430  -0.037   1.249
  473   2HG   PRO  60          1HG       PRO  60 -15.115  -1.758   1.542
  474   1HD   PRO  60          2HD       PRO  60 -14.159   0.181   3.162
  475   2HD   PRO  60          1HD       PRO  60 -13.270  -1.326   2.859
  476    H    LYS  61           H        LYS  61 -14.054   2.136   1.252
  477    HA   LYS  61           HA       LYS  61 -14.817   3.464  -1.136
  478   1HB   LYS  61          2HB       LYS  61 -14.728   4.573   1.673
  479   2HB   LYS  61          1HB       LYS  61 -15.649   5.219   0.323
  480   1HG   LYS  61          2HG       LYS  61 -17.230   3.566   0.428
  481   2HG   LYS  61          1HG       LYS  61 -16.125   2.407   1.169
  482   1HD   LYS  61          2HD       LYS  61 -16.193   4.244   3.115
  483   2HD   LYS  61          1HD       LYS  61 -17.790   4.516   2.412
  484   1HE   LYS  61          2HE       LYS  61 -18.189   2.047   2.610
  485   2HE   LYS  61          1HE       LYS  61 -16.681   1.941   3.517
  486   1HZ   LYS  61          1HZ       LYS  61 -19.073   3.528   4.281
  487   2HZ   LYS  61          2HZ       LYS  61 -17.617   3.492   5.140
  488   3HZ   LYS  61          3HZ       LYS  61 -18.554   2.091   5.008
  489    H    ASP  62           H        ASP  62 -11.971   3.531   0.798
  490    HA   ASP  62           HA       ASP  62 -11.094   6.057  -0.399
  491   1HB   ASP  62          2HB       ASP  62 -10.088   4.412   1.911
  492   2HB   ASP  62          1HB       ASP  62  -9.107   5.689   1.199
  493    H    LEU  63           H        LEU  63 -11.090   2.975  -1.366
  494    HA   LEU  63           HA       LEU  63  -8.377   3.129  -2.500
  495   1HB   LEU  63          2HB       LEU  63 -10.119   0.714  -2.008
  496   2HB   LEU  63          1HB       LEU  63  -8.569   0.671  -2.825
  497    HG   LEU  63           HG       LEU  63  -8.809   1.725  -0.023
  498   1HD1  LEU  63          1HD1      LEU  63  -7.975  -1.083  -0.471
  499   2HD1  LEU  63          2HD1      LEU  63  -9.702  -0.726  -0.510
  500   3HD1  LEU  63          3HD1      LEU  63  -8.752  -0.339   0.925
  501   1HD2  LEU  63          1HD2      LEU  63  -6.463   0.235  -1.038
  502   2HD2  LEU  63          2HD2      LEU  63  -6.545   1.641   0.024
  503   3HD2  LEU  63          3HD2      LEU  63  -6.748   1.838  -1.717
  504    H    PHE  64           H        PHE  64  -8.098   2.986  -4.681
  505    HA   PHE  64           HA       PHE  64 -10.461   2.528  -6.366
  506   1HB   PHE  64          2HB       PHE  64  -8.522   4.801  -6.844
  507   2HB   PHE  64          1HB       PHE  64 -10.018   4.472  -7.711
  508    HD1  PHE  64           1HD      PHE  64 -11.850   5.741  -7.181
  509    HD2  PHE  64           2HD      PHE  64  -8.858   5.117  -4.219
  510    HE1  PHE  64           1HE      PHE  64 -13.071   7.219  -5.640
  511    HE2  PHE  64           2HE      PHE  64 -10.075   6.593  -2.673
  512    HZ   PHE  64           HZ       PHE  64 -12.184   7.647  -3.382
  513    HA   PRO  65           HA       PRO  65  -7.698   0.246  -8.941
  514   1HB   PRO  65          2HB       PRO  65  -8.851   1.243 -11.411
  515   2HB   PRO  65          1HB       PRO  65  -9.056  -0.335 -10.654
  516   1HG   PRO  65          2HG       PRO  65 -11.053   1.512 -10.838
  517   2HG   PRO  65          1HG       PRO  65 -10.958   0.295  -9.553
  518   1HD   PRO  65          2HD       PRO  65 -10.215   3.193  -9.480
  519   2HD   PRO  65          1HD       PRO  65 -11.019   2.202  -8.244
  520    H    TYR  66           H        TYR  66  -5.630   0.905  -9.003
  521    HA   TYR  66           HA       TYR  66  -4.632   3.398  -9.604
  522   1HB   TYR  66          2HB       TYR  66  -3.236   1.736  -8.562
  523   2HB   TYR  66          1HB       TYR  66  -3.338   0.690  -9.974
  524    HD1  TYR  66           1HD      TYR  66  -1.838   0.944 -11.787
  525    HD2  TYR  66           2HD      TYR  66  -1.989   3.912  -8.744
  526    HE1  TYR  66           1HE      TYR  66   0.183   1.990 -12.716
  527    HE2  TYR  66           2HE      TYR  66   0.033   4.967  -9.663
  528    HH   TYR  66           HH       TYR  66   1.118   4.688 -12.509
  529    H    GLU  67           H        GLU  67  -4.695   0.621 -11.844
  530    HA   GLU  67           HA       GLU  67  -3.694   1.869 -14.090
  531   1HB   GLU  67          2HB       GLU  67  -5.213  -0.533 -13.522
  532   2HB   GLU  67          1HB       GLU  67  -5.669   0.152 -15.076
  533   1HG   GLU  67          2HG       GLU  67  -3.462  -0.003 -15.899
  534   2HG   GLU  67          1HG       GLU  67  -2.812  -0.343 -14.296
  535    H    GLU  68           H        GLU  68  -7.012   1.838 -12.925
  536    HA   GLU  68           HA       GLU  68  -8.125   3.179 -15.152
  537   1HB   GLU  68          2HB       GLU  68  -9.160   2.852 -12.339
  538   2HB   GLU  68          1HB       GLU  68 -10.095   3.517 -13.670
  539   1HG   GLU  68          2HG       GLU  68  -8.896   0.920 -14.255
  540   2HG   GLU  68          1HG       GLU  68 -10.050   0.897 -12.922
  541    H    SER  69           H        SER  69  -6.895   4.336 -12.037
  542    HA   SER  69           HA       SER  69  -7.474   7.079 -12.947
  543   1HB   SER  69          2HB       SER  69  -7.259   5.845 -10.229
  544   2HB   SER  69          1HB       SER  69  -6.949   7.569 -10.431
  545    HG   SER  69           HG       SER  69  -9.047   7.642 -11.498
  546    H    LYS  70           H        LYS  70  -5.030   5.156 -13.380
  547    HA   LYS  70           HA       LYS  70  -2.815   6.256 -12.099
  548   1HB   LYS  70          2HB       LYS  70  -1.471   5.175 -13.724
  549   2HB   LYS  70          1HB       LYS  70  -2.883   4.156 -13.497
  550   1HG   LYS  70          2HG       LYS  70  -3.836   4.907 -15.562
  551   2HG   LYS  70          1HG       LYS  70  -2.567   6.118 -15.757
  552   1HD   LYS  70          2HD       LYS  70  -1.508   4.580 -16.987
  553   2HD   LYS  70          1HD       LYS  70  -1.139   3.792 -15.451
  554   1HE   LYS  70          2HE       LYS  70  -2.686   2.154 -15.765
  555   2HE   LYS  70          1HE       LYS  70  -3.770   3.202 -16.680
  556   1HZ   LYS  70          1HZ       LYS  70  -1.260   2.644 -17.993
  557   2HZ   LYS  70          2HZ       LYS  70  -2.836   2.609 -18.608
  558   3HZ   LYS  70          3HZ       LYS  70  -2.232   1.279 -17.755
  559    H    GLU  71           H        GLU  71  -4.294   7.175 -15.189
  560    HA   GLU  71           HA       GLU  71  -2.446   9.261 -15.739
  561   1HB   GLU  71          2HB       GLU  71  -4.155   9.958 -17.440
  562   2HB   GLU  71          1HB       GLU  71  -3.618   8.289 -17.572
  563   1HG   GLU  71          2HG       GLU  71  -5.645   7.452 -17.067
  564   2HG   GLU  71          1HG       GLU  71  -6.012   8.739 -15.919
  565    H    LYS  72           H        LYS  72  -5.333   9.081 -13.821
  566    HA   LYS  72           HA       LYS  72  -5.757  11.938 -13.793
  567   1HB   LYS  72          2HB       LYS  72  -7.050   9.661 -12.297
  568   2HB   LYS  72          1HB       LYS  72  -7.498  11.345 -12.065
  569   1HG   LYS  72          2HG       LYS  72  -8.017  11.458 -14.505
  570   2HG   LYS  72          1HG       LYS  72  -7.762   9.714 -14.576
  571   1HD   LYS  72          2HD       LYS  72  -9.745   9.271 -13.623
  572   2HD   LYS  72          1HD       LYS  72  -9.565  10.561 -12.432
  573   1HE   LYS  72          2HE       LYS  72 -11.474  10.951 -13.923
  574   2HE   LYS  72          1HE       LYS  72 -10.247  12.209 -14.079
  575   1HZ   LYS  72          1HZ       LYS  72 -11.001  11.576 -16.243
  576   2HZ   LYS  72          2HZ       LYS  72 -10.704   9.939 -15.937
  577   3HZ   LYS  72          3HZ       LYS  72  -9.412  11.023 -16.058
  578    H    PHE  73           H        PHE  73  -4.699   9.483 -11.435
  579    HA   PHE  73           HA       PHE  73  -3.921  11.647  -9.612
  580   1HB   PHE  73          2HB       PHE  73  -3.866   8.708  -8.965
  581   2HB   PHE  73          1HB       PHE  73  -3.952  10.072  -7.859
  582    HD1  PHE  73           1HD      PHE  73  -6.149  11.415  -9.786
  583    HD2  PHE  73           2HD      PHE  73  -5.746   7.690  -7.766
  584    HE1  PHE  73           1HE      PHE  73  -8.597  11.192  -9.715
  585    HE2  PHE  73           2HE      PHE  73  -8.194   7.461  -7.693
  586    HZ   PHE  73           HZ       PHE  73  -9.622   9.213  -8.669
  587    H    GLY  74           H        GLY  74  -2.464   9.698 -11.943
  588   1HA   GLY  74          2HA       GLY  74   0.032   9.318 -10.539
  589   2HA   GLY  74          1HA       GLY  74  -0.292   8.922 -12.217
  590    H    LYS  75           H        LYS  75   0.222  11.708 -10.051
  591    HA   LYS  75           HA       LYS  75   1.974  12.882 -12.046
  592   1HB   LYS  75          2HB       LYS  75  -0.495  14.273 -10.996
  593   2HB   LYS  75          1HB       LYS  75   0.817  15.100 -11.824
  594   1HG   LYS  75          2HG       LYS  75   0.276  13.170 -13.619
  595   2HG   LYS  75          1HG       LYS  75  -1.319  13.383 -12.896
  596   1HD   LYS  75          2HD       LYS  75   0.150  15.852 -13.590
  597   2HD   LYS  75          1HD       LYS  75  -0.414  14.868 -14.943
  598   1HE   LYS  75          2HE       LYS  75  -2.663  15.046 -14.269
  599   2HE   LYS  75          1HE       LYS  75  -2.219  15.649 -12.673
  600   1HZ   LYS  75          1HZ       LYS  75  -1.870  17.737 -13.454
  601   2HZ   LYS  75          2HZ       LYS  75  -3.034  17.247 -14.579
  602   3HZ   LYS  75          3HZ       LYS  75  -1.395  17.223 -14.994
  603    HA   PRO  76           HA       PRO  76   4.420  14.105  -8.604
  604   1HB   PRO  76          2HB       PRO  76   4.986  16.750  -9.254
  605   2HB   PRO  76          1HB       PRO  76   5.871  15.339  -9.840
  606   1HG   PRO  76          2HG       PRO  76   3.714  16.914 -11.176
  607   2HG   PRO  76          1HG       PRO  76   5.177  16.196 -11.873
  608   1HD   PRO  76          2HD       PRO  76   2.779  15.052 -12.196
  609   2HD   PRO  76          1HD       PRO  76   4.242  14.071 -11.963
  610    H    ASN  77           H        ASN  77   4.414  15.302  -6.673
  611    HA   ASN  77           HA       ASN  77   2.119  17.097  -6.262
  612   1HB   ASN  77          2HB       ASN  77   1.902  14.558  -5.470
  613   2HB   ASN  77          1HB       ASN  77   2.763  15.190  -4.070
  614   1HD2  ASN  77          1HD2      ASN  77   0.123  16.249  -6.198
  615   2HD2  ASN  77          2HD2      ASN  77  -0.941  16.723  -4.921
  616    H    LYS  78           H        LYS  78   2.244  18.085  -3.982
  617    HA   LYS  78           HA       LYS  78   4.915  19.210  -3.715
  618   1HB   LYS  78          2HB       LYS  78   2.658  20.517  -3.807
  619   2HB   LYS  78          1HB       LYS  78   2.545  20.089  -2.105
  620   1HG   LYS  78          2HG       LYS  78   5.144  21.172  -2.772
  621   2HG   LYS  78          1HG       LYS  78   3.836  22.283  -3.182
  622   1HD   LYS  78          2HD       LYS  78   2.988  21.579  -0.770
  623   2HD   LYS  78          1HD       LYS  78   4.706  21.255  -0.531
  624   1HE   LYS  78          2HE       LYS  78   4.613  23.451   0.108
  625   2HE   LYS  78          1HE       LYS  78   4.970  23.638  -1.609
  626   1HZ   LYS  78          1HZ       LYS  78   2.978  24.550  -2.002
  627   2HZ   LYS  78          2HZ       LYS  78   2.946  24.853  -0.338
  628   3HZ   LYS  78          3HZ       LYS  78   2.154  23.496  -0.966
  629    H    ARG  79           H        ARG  79   2.968  16.858  -2.195
  630    HA   ARG  79           HA       ARG  79   3.857  17.139   0.470
  631   1HB   ARG  79          2HB       ARG  79   2.623  14.914  -1.108
  632   2HB   ARG  79          1HB       ARG  79   3.260  14.591   0.498
  633   1HG   ARG  79          2HG       ARG  79   1.223  16.723  -0.093
  634   2HG   ARG  79          1HG       ARG  79   0.819  15.080   0.409
  635   1HD   ARG  79          2HD       ARG  79   1.594  15.392   2.540
  636   2HD   ARG  79          1HD       ARG  79   2.761  16.619   2.055
  637    HE   ARG  79           HE       ARG  79  -0.083  17.027   2.603
  638   1HH1  ARG  79          1HH1      ARG  79   3.006  18.390   1.692
  639   2HH1  ARG  79          2HH1      ARG  79   2.517  20.018   2.011
  640   1HH2  ARG  79          1HH2      ARG  79  -0.718  19.169   3.016
  641   2HH2  ARG  79          2HH2      ARG  79   0.407  20.461   2.760
  642    H    LYS  80           H        LYS  80   5.434  16.151  -2.335
  643    HA   LYS  80           HA       LYS  80   7.495  15.333  -2.765
  644   1HB   LYS  80          2HB       LYS  80   7.932  15.870   0.178
  645   2HB   LYS  80          1HB       LYS  80   9.201  15.456  -0.966
  646   1HG   LYS  80          2HG       LYS  80   7.626  17.976  -0.720
  647   2HG   LYS  80          1HG       LYS  80   9.369  17.750  -0.861
  648   1HD   LYS  80          2HD       LYS  80   9.085  17.077  -3.207
  649   2HD   LYS  80          1HD       LYS  80   7.342  17.317  -3.064
  650   1HE   LYS  80          2HE       LYS  80   8.377  19.238  -4.128
  651   2HE   LYS  80          1HE       LYS  80   7.724  19.688  -2.553
  652   1HZ   LYS  80          1HZ       LYS  80  10.381  18.875  -2.206
  653   2HZ   LYS  80          2HZ       LYS  80   9.718  20.413  -1.977
  654   3HZ   LYS  80          3HZ       LYS  80  10.343  19.980  -3.487
  655    H    GLY  81           H        GLY  81   8.453  13.360  -2.907
  656   1HA   GLY  81          2HA       GLY  81   8.906  11.133  -2.289
  657   2HA   GLY  81          1HA       GLY  81   7.789  11.305  -0.942
  658    H    PHE  82           H        PHE  82   5.883  12.569  -3.050
  659    HA   PHE  82           HA       PHE  82   4.246  10.344  -3.451
  660   1HB   PHE  82          2HB       PHE  82   3.442  12.664  -3.497
  661   2HB   PHE  82          1HB       PHE  82   4.335  12.953  -4.985
  662    HD1  PHE  82           1HD      PHE  82   1.283  11.813  -3.543
  663    HD2  PHE  82           2HD      PHE  82   3.705  11.603  -7.033
  664    HE1  PHE  82           1HE      PHE  82  -0.664  11.066  -4.844
  665    HE2  PHE  82           2HE      PHE  82   1.763  10.857  -8.343
  666    HZ   PHE  82           HZ       PHE  82  -0.428  10.584  -7.247
  667    H    SER  83           H        SER  83   6.215  12.111  -5.839
  668    HA   SER  83           HA       SER  83   5.783  10.474  -8.024
  669   1HB   SER  83          2HB       SER  83   8.541  11.510  -7.720
  670   2HB   SER  83          1HB       SER  83   7.410  11.683  -9.061
  671    HG   SER  83           HG       SER  83   6.238  13.147  -7.568
  672    H    GLU  84           H        GLU  84   8.281  10.172  -5.512
  673    HA   GLU  84           HA       GLU  84   9.754   8.075  -6.501
  674   1HB   GLU  84          2HB       GLU  84   8.918   8.590  -3.641
  675   2HB   GLU  84          1HB       GLU  84  10.168   7.449  -4.115
  676   1HG   GLU  84          2HG       GLU  84  10.676  10.009  -5.302
  677   2HG   GLU  84          1HG       GLU  84  10.450  10.177  -3.562
  678    H    GLY  85           H        GLY  85   6.537   8.035  -5.136
  679   1HA   GLY  85          2HA       GLY  85   6.386   5.197  -4.818
  680   2HA   GLY  85          1HA       GLY  85   5.034   6.321  -4.791
  681    H    LEU  86           H        LEU  86   5.687   7.450  -7.409
  682    HA   LEU  86           HA       LEU  86   4.122   5.771  -9.026
  683   1HB   LEU  86          2HB       LEU  86   5.953   8.074  -9.654
  684   2HB   LEU  86          1HB       LEU  86   5.085   7.221 -10.915
  685    HG   LEU  86           HG       LEU  86   3.753   8.593  -8.580
  686   1HD1  LEU  86          1HD1      LEU  86   3.045  10.053 -10.721
  687   2HD1  LEU  86          2HD1      LEU  86   4.683   9.598 -11.190
  688   3HD1  LEU  86          3HD1      LEU  86   4.406  10.454  -9.673
  689   1HD2  LEU  86          1HD2      LEU  86   1.798   7.830  -9.358
  690   2HD2  LEU  86          2HD2      LEU  86   2.771   6.629 -10.207
  691   3HD2  LEU  86          3HD2      LEU  86   2.256   8.095 -11.040
  692    H    TRP  87           H        TRP  87   7.625   6.243  -8.841
  693    HA   TRP  87           HA       TRP  87   8.320   4.537 -10.977
  694   1HB   TRP  87          2HB       TRP  87   9.910   6.143 -10.084
  695   2HB   TRP  87          1HB       TRP  87   9.883   5.352  -8.512
  696    HD1  TRP  87           HD       TRP  87  11.493   5.156 -11.922
  697    HE1  TRP  87           1HE      TRP  87  13.263   3.288 -11.926
  698    HE3  TRP  87           3HE      TRP  87  10.406   2.997  -7.416
  699    HZ2  TRP  87           2HZ      TRP  87  14.086   1.175 -10.243
  700    HZ3  TRP  87           3HZ      TRP  87  11.732   1.057  -6.686
  701    HH2  TRP  87           HH       TRP  87  13.532   0.164  -8.073
  702    H    GLU  88           H        GLU  88   8.022   3.939  -7.475
  703    HA   GLU  88           HA       GLU  88   8.900   1.270  -7.529
  704   1HB   GLU  88          2HB       GLU  88   7.710   3.090  -5.613
  705   2HB   GLU  88          1HB       GLU  88   7.081   1.460  -5.419
  706   1HG   GLU  88          2HG       GLU  88   8.888   1.341  -4.052
  707   2HG   GLU  88          1HG       GLU  88   9.629   0.821  -5.565
  708    H    ILE  89           H        ILE  89   5.562   2.564  -7.512
  709    HA   ILE  89           HA       ILE  89   4.186   0.184  -7.528
  710    HB   ILE  89           HB       ILE  89   3.139   2.400  -7.334
  711   1HG1  ILE  89          2HG1      ILE  89   1.440   1.636  -9.454
  712   2HG1  ILE  89          1HG1      ILE  89   2.150   0.151  -8.825
  713   1HG2  ILE  89          1HG2      ILE  89   2.519   3.445  -9.639
  714   2HG2  ILE  89          2HG2      ILE  89   3.978   2.619 -10.185
  715   3HG2  ILE  89          3HG2      ILE  89   4.070   3.805  -8.884
  716   1HD1  ILE  89          1HD1      ILE  89   0.075   1.768  -7.725
  717   2HD1  ILE  89          2HD1      ILE  89   1.429   1.683  -6.597
  718   3HD1  ILE  89          3HD1      ILE  89   0.676   0.200  -7.185
  719    H    GLU  90           H        GLU  90   5.962   1.669 -10.124
  720    HA   GLU  90           HA       GLU  90   4.889  -0.242 -12.062
  721   1HB   GLU  90          2HB       GLU  90   6.504   2.277 -12.324
  722   2HB   GLU  90          1HB       GLU  90   6.341   1.153 -13.665
  723   1HG   GLU  90          2HG       GLU  90   3.791   1.385 -13.181
  724   2HG   GLU  90          1HG       GLU  90   4.281   2.876 -12.377
  725    H    ASN  91           H        ASN  91   8.016   0.790 -10.724
  726    HA   ASN  91           HA       ASN  91   9.457  -1.211 -12.199
  727   1HB   ASN  91          2HB       ASN  91  10.196   0.870 -10.181
  728   2HB   ASN  91          1HB       ASN  91  11.334  -0.422 -10.548
  729   1HD2  ASN  91          1HD2      ASN  91   9.111   1.586 -12.460
  730   2HD2  ASN  91          2HD2      ASN  91  10.293   2.090 -13.613
  731    H    ASN  92           H        ASN  92   8.167  -0.921  -8.945
  732    HA   ASN  92           HA       ASN  92   8.563  -3.748  -8.540
  733   1HB   ASN  92          2HB       ASN  92  10.571  -2.045  -7.643
  734   2HB   ASN  92          1HB       ASN  92   9.606  -2.358  -6.205
  735   1HD2  ASN  92          1HD2      ASN  92  11.710  -3.364  -5.600
  736   2HD2  ASN  92          2HD2      ASN  92  11.938  -5.029  -5.999
  737    HA   PRO  93           HA       PRO  93   4.763  -2.224  -6.499
  738   1HB   PRO  93          2HB       PRO  93   3.174  -4.258  -7.231
  739   2HB   PRO  93          1HB       PRO  93   3.575  -2.945  -8.346
  740   1HG   PRO  93          2HG       PRO  93   4.736  -5.698  -8.163
  741   2HG   PRO  93          1HG       PRO  93   4.282  -4.768  -9.603
  742   1HD   PRO  93          2HD       PRO  93   6.852  -4.987  -8.672
  743   2HD   PRO  93          1HD       PRO  93   6.260  -3.615  -9.629
  744    H    THR  94           H        THR  94   6.732  -4.991  -6.112
  745    HA   THR  94           HA       THR  94   5.231  -5.867  -3.750
  746    HB   THR  94           HB       THR  94   7.142  -7.729  -3.950
  747    HG1  THR  94           1HG      THR  94   6.738  -6.920  -6.634
  748   1HG2  THR  94          1HG2      THR  94   4.947  -8.486  -4.019
  749   2HG2  THR  94          2HG2      THR  94   5.615  -8.969  -5.578
  750   3HG2  THR  94          3HG2      THR  94   4.571  -7.552  -5.467
  751    H    VAL  95           H        VAL  95   7.343  -3.560  -4.207
  752    HA   VAL  95           HA       VAL  95   9.574  -4.154  -2.619
  753    HB   VAL  95           HB       VAL  95   9.465  -2.196  -4.100
  754   1HG1  VAL  95          1HG1      VAL  95   7.696  -0.858  -4.057
  755   2HG1  VAL  95          2HG1      VAL  95   8.207  -0.272  -2.474
  756   3HG1  VAL  95          3HG1      VAL  95   7.096  -1.636  -2.594
  757   1HG2  VAL  95          1HG2      VAL  95   9.902  -0.882  -1.505
  758   2HG2  VAL  95          2HG2      VAL  95  10.989  -1.074  -2.881
  759   3HG2  VAL  95          3HG2      VAL  95  10.770  -2.399  -1.736
  760    H    LYS  96           H        LYS  96  10.047  -3.794  -0.465
  761    HA   LYS  96           HA       LYS  96   7.891  -2.937   1.309
  762   1HB   LYS  96          2HB       LYS  96   8.432  -4.888   2.832
  763   2HB   LYS  96          1HB       LYS  96   7.551  -5.279   1.361
  764   1HG   LYS  96          2HG       LYS  96  10.441  -5.438   1.042
  765   2HG   LYS  96          1HG       LYS  96   9.809  -6.538   2.268
  766   1HD   LYS  96          2HD       LYS  96   8.217  -6.472  -0.183
  767   2HD   LYS  96          1HD       LYS  96   9.875  -7.024  -0.431
  768   1HE   LYS  96          2HE       LYS  96   8.524  -8.167   1.914
  769   2HE   LYS  96          1HE       LYS  96   7.817  -8.611   0.362
  770   1HZ   LYS  96          1HZ       LYS  96   9.956  -9.806   1.526
  771   2HZ   LYS  96          2HZ       LYS  96  10.682  -8.788   0.386
  772   3HZ   LYS  96          3HZ       LYS  96   9.534  -9.928  -0.107
  773    H    ALA  97           H        ALA  97   8.715  -2.759   3.619
  774    HA   ALA  97           HA       ALA  97  11.515  -1.838   3.599
  775   1HB   ALA  97          1HB       ALA  97  10.974   0.032   4.883
  776   2HB   ALA  97          2HB       ALA  97   9.415  -0.634   5.368
  777   3HB   ALA  97          3HB       ALA  97   9.657  -0.067   3.715
  778    H    SER  98           H        SER  98  10.449  -4.463   4.350
  779    HA   SER  98           HA       SER  98  10.319  -4.716   7.161
  780   1HB   SER  98          2HB       SER  98  10.675  -7.132   6.745
  781   2HB   SER  98          1HB       SER  98   9.438  -6.452   5.686
  782    HG   SER  98           HG       SER  98  10.984  -6.369   4.029
  783    H    GLY  99           H        GLY  99  11.878  -5.615   8.608
  784   1HA   GLY  99          2HA       GLY  99  14.657  -5.674   7.721
  785   2HA   GLY  99          1HA       GLY  99  14.244  -4.450   8.911
  786    H    TYR 100           H        TYR 100  15.972  -5.721  10.070
  787    HA   TYR 100           HA       TYR 100  16.569  -7.082  11.791
  788   1HB   TYR 100          2HB       TYR 100  14.051  -6.224  12.400
  789   2HB   TYR 100          1HB       TYR 100  13.836  -7.971  12.442
  790    HD1  TYR 100           1HD      TYR 100  15.631  -5.128  13.938
  791    HD2  TYR 100           2HD      TYR 100  14.807  -9.294  14.181
  792    HE1  TYR 100           1HE      TYR 100  16.598  -5.181  16.197
  793    HE2  TYR 100           2HE      TYR 100  15.770  -9.359  16.440
  794    HH   TYR 100           HH       TYR 100  17.297  -8.111  17.831
  795    H    GLN 101           H        GLN 101  17.552  -8.623  10.457
  796    HA   GLN 101           HA       GLN 101  15.941 -11.024   9.899
  797   1HB   GLN 101          2HB       GLN 101  18.022  -9.609   8.381
  798   2HB   GLN 101          1HB       GLN 101  18.235 -11.354   8.439
  799   1HG   GLN 101          2HG       GLN 101  16.698 -11.621   6.878
  800   2HG   GLN 101          1HG       GLN 101  15.503 -10.802   7.883
  801   1HE2  GLN 101          1HE2      GLN 101  15.121  -8.607   7.577
  802   2HE2  GLN 101          2HE2      GLN 101  15.627  -7.776   6.150
  803    H    SER 102           H        SER 102  17.780 -12.930   9.568
  804    HA   SER 102           HA       SER 102  19.085 -14.434  10.663
  805   1HB   SER 102          2HB       SER 102  20.726 -12.524  10.540
  806   2HB   SER 102          1HB       SER 102  20.224 -12.070  12.167
  807    HG   SER 102           HG       SER 102  22.105 -13.443  12.084
  808    H    SER 103           H        SER 103  19.670 -15.254  12.930
  809    HA   SER 103           HA       SER 103  18.985 -15.985  14.972
  810   1HB   SER 103          2HB       SER 103  19.085 -13.365  15.304
  811   2HB   SER 103          1HB       SER 103  17.333 -13.532  15.418
  812    HG   SER 103           HG       SER 103  17.802 -15.202  17.039
  813    H    GLN 104           H        GLN 104  17.337 -17.214  15.795
  814    HA   GLN 104           HA       GLN 104  15.372 -18.357  15.832
  815   1HB   GLN 104          2HB       GLN 104  14.667 -15.770  16.094
  816   2HB   GLN 104          1HB       GLN 104  13.820 -16.153  14.601
  817   1HG   GLN 104          2HG       GLN 104  12.937 -18.199  15.916
  818   2HG   GLN 104          1HG       GLN 104  13.428 -17.279  17.338
  819   1HE2  GLN 104          1HE2      GLN 104  12.652 -14.941  17.286
  820   2HE2  GLN 104          2HE2      GLN 104  11.008 -14.699  16.809
  821    H    LYS 105           H        LYS 105  16.001 -19.826  14.227
  822    HA   LYS 105           HA       LYS 105  14.738 -19.362  11.606
  823   1HB   LYS 105          2HB       LYS 105  17.443 -19.594  12.025
  824   2HB   LYS 105          1HB       LYS 105  16.990 -21.243  11.616
  825   1HG   LYS 105          2HG       LYS 105  17.217 -20.601   9.498
  826   2HG   LYS 105          1HG       LYS 105  15.669 -19.780   9.714
  827   1HD   LYS 105          2HD       LYS 105  18.331 -18.495  10.302
  828   2HD   LYS 105          1HD       LYS 105  17.512 -18.367   8.744
  829   1HE   LYS 105          2HE       LYS 105  15.850 -17.027   9.570
  830   2HE   LYS 105          1HE       LYS 105  15.980 -17.688  11.200
  831   1HZ   LYS 105          1HZ       LYS 105  16.952 -15.298  10.411
  832   2HZ   LYS 105          2HZ       LYS 105  18.331 -16.272  10.326
  833   3HZ   LYS 105          3HZ       LYS 105  17.471 -16.149  11.778
  834    H    LYS 106           H        LYS 106  14.022 -21.291  10.490
  835    HA   LYS 106           HA       LYS 106  13.396 -23.498  12.341
  836   1HB   LYS 106          2HB       LYS 106  11.353 -23.826  10.852
  837   2HB   LYS 106          1HB       LYS 106  11.344 -22.424  11.913
  838   1HG   LYS 106          2HG       LYS 106  12.344 -22.118   9.126
  839   2HG   LYS 106          1HG       LYS 106  10.607 -22.223   9.415
  840   1HD   LYS 106          2HD       LYS 106  11.673 -20.422  11.321
  841   2HD   LYS 106          1HD       LYS 106  12.349 -19.986   9.750
  842   1HE   LYS 106          2HE       LYS 106  10.095 -19.904   8.804
  843   2HE   LYS 106          1HE       LYS 106   9.418 -20.351  10.369
  844   1HZ   LYS 106          1HZ       LYS 106  10.671 -17.818   9.548
  845   2HZ   LYS 106          2HZ       LYS 106  10.679 -18.266  11.180
  846   3HZ   LYS 106          3HZ       LYS 106   9.210 -18.074  10.364
  847    H    SER 107           H        SER 107  14.280 -22.589   9.063
  848    HA   SER 107           HA       SER 107  15.226 -23.750   7.353
  849   1HB   SER 107          2HB       SER 107  15.965 -25.482   9.699
  850   2HB   SER 107          1HB       SER 107  16.401 -25.951   8.056
  851    HG   SER 107           HG       SER 107  17.028 -23.417   9.156
  852    H    CYS 108           H        CYS 108  12.416 -24.136   8.002
  853    HA   CYS 108           HA       CYS 108  10.638 -25.388   7.339
  854   1HB   CYS 108          2HB       CYS 108  12.750 -26.587   5.540
  855   2HB   CYS 108          1HB       CYS 108  11.033 -26.951   5.408
  856    HG   CYS 108           HG       CYS 108  11.316 -25.085   3.752
  857    H    ALA 109           H        ALA 109   9.714 -27.617   7.308
  858    HA   ALA 109           HA       ALA 109  11.222 -29.744   8.503
  859   1HB   ALA 109          1HB       ALA 109  10.930 -29.080  10.624
  860   2HB   ALA 109          2HB       ALA 109   9.276 -29.652  10.415
  861   3HB   ALA 109          3HB       ALA 109   9.652 -27.944  10.194
  862    H    GLU 110           H        GLU 110   7.962 -28.453   7.928
  863    HA   GLU 110           HA       GLU 110   6.989 -31.148   7.356
  864   1HB   GLU 110          2HB       GLU 110   4.765 -30.147   7.340
  865   2HB   GLU 110          1HB       GLU 110   5.626 -29.710   8.810
  866   1HG   GLU 110          2HG       GLU 110   5.793 -27.847   6.512
  867   2HG   GLU 110          1HG       GLU 110   4.264 -27.947   7.383
  Start of MODEL   16
    1   1H    MET   1          1HT       MET   1 -29.988  -9.020   6.362
    2   2H    MET   1          2HT       MET   1 -29.874  -7.789   7.553
    3   3H    MET   1          3HT       MET   1 -28.453  -8.554   6.966
    4    HA   MET   1           HA       MET   1 -29.199  -7.715   4.712
    5   1HB   MET   1          2HB       MET   1 -30.647  -5.815   6.570
    6   2HB   MET   1          1HB       MET   1 -30.546  -5.685   4.820
    7   1HG   MET   1          2HG       MET   1 -31.680  -7.989   4.793
    8   2HG   MET   1          1HG       MET   1 -32.082  -7.646   6.475
    9   1HE   MET   1          1HE       MET   1 -35.309  -7.457   4.985
   10   2HE   MET   1          2HE       MET   1 -33.927  -8.485   4.603
   11   3HE   MET   1          3HE       MET   1 -34.585  -7.402   3.377
   12    H    SER   2           H        SER   2 -28.020  -5.878   3.932
   13    HA   SER   2           HA       SER   2 -26.580  -4.176   5.724
   14   1HB   SER   2          2HB       SER   2 -25.391  -6.532   5.659
   15   2HB   SER   2          1HB       SER   2 -24.762  -5.935   4.122
   16    HG   SER   2           HG       SER   2 -23.622  -5.487   6.283
   17    H    ARG   3           H        ARG   3 -25.020  -2.767   4.517
   18    HA   ARG   3           HA       ARG   3 -26.254  -1.899   2.070
   19   1HB   ARG   3          2HB       ARG   3 -25.089  -0.522   4.015
   20   2HB   ARG   3          1HB       ARG   3 -23.664  -0.758   3.011
   21   1HG   ARG   3          2HG       ARG   3 -25.803   0.090   1.341
   22   2HG   ARG   3          1HG       ARG   3 -25.718   1.167   2.737
   23   1HD   ARG   3          2HD       ARG   3 -23.116   0.502   1.565
   24   2HD   ARG   3          1HD       ARG   3 -24.192   1.383   0.482
   25    HE   ARG   3           HE       ARG   3 -24.165   2.624   3.012
   26   1HH1  ARG   3          1HH1      ARG   3 -22.146   2.155   0.204
   27   2HH1  ARG   3          2HH1      ARG   3 -21.268   3.630   0.435
   28   1HH2  ARG   3          1HH2      ARG   3 -23.013   4.566   3.315
   29   2HH2  ARG   3          2HH2      ARG   3 -21.760   5.000   2.200
   30    H    SER   4           H        SER   4 -25.180  -1.631   0.047
   31    HA   SER   4           HA       SER   4 -22.700  -3.103  -0.361
   32   1HB   SER   4          2HB       SER   4 -25.062  -4.427  -0.774
   33   2HB   SER   4          1HB       SER   4 -24.732  -3.777  -2.380
   34    HG   SER   4           HG       SER   4 -23.788  -5.916  -1.749
   35    H    ASN   5           H        ASN   5 -25.286  -1.874  -2.486
   36    HA   ASN   5           HA       ASN   5 -25.249  -0.402  -4.220
   37   1HB   ASN   5          2HB       ASN   5 -24.237   0.914  -2.024
   38   2HB   ASN   5          1HB       ASN   5 -23.000   1.205  -3.243
   39   1HD2  ASN   5          1HD2      ASN   5 -24.605   3.197  -2.117
   40   2HD2  ASN   5          2HD2      ASN   5 -25.606   3.859  -3.361
   41    H    ARG   6           H        ARG   6 -23.445  -2.743  -4.281
   42    HA   ARG   6           HA       ARG   6 -21.822  -3.642  -5.597
   43   1HB   ARG   6          2HB       ARG   6 -22.893  -1.371  -7.173
   44   2HB   ARG   6          1HB       ARG   6 -21.361  -2.043  -7.714
   45   1HG   ARG   6          2HG       ARG   6 -22.288  -4.026  -8.337
   46   2HG   ARG   6          1HG       ARG   6 -23.572  -3.932  -7.129
   47   1HD   ARG   6          2HD       ARG   6 -24.256  -1.838  -8.645
   48   2HD   ARG   6          1HD       ARG   6 -23.444  -2.814  -9.869
   49    HE   ARG   6           HE       ARG   6 -25.383  -4.252  -8.295
   50   1HH1  ARG   6          1HH1      ARG   6 -24.863  -2.303 -11.146
   51   2HH1  ARG   6          2HH1      ARG   6 -26.259  -2.913 -11.969
   52   1HH2  ARG   6          1HH2      ARG   6 -27.218  -5.053  -9.378
   53   2HH2  ARG   6          2HH2      ARG   6 -27.597  -4.473 -10.965
   54    H    GLN   7           H        GLN   7 -20.154  -3.437  -4.090
   55    HA   GLN   7           HA       GLN   7 -18.379  -1.117  -4.446
   56   1HB   GLN   7          2HB       GLN   7 -19.017  -2.866  -2.119
   57   2HB   GLN   7          1HB       GLN   7 -17.398  -2.190  -2.223
   58   1HG   GLN   7          2HG       GLN   7 -18.127  -0.038  -1.928
   59   2HG   GLN   7          1HG       GLN   7 -19.737  -0.382  -2.559
   60   1HE2  GLN   7          1HE2      GLN   7 -18.474   0.715   0.054
   61   2HE2  GLN   7          2HE2      GLN   7 -19.386  -0.086   1.283
   62    H    LYS   8           H        LYS   8 -16.541  -1.422  -5.496
   63    HA   LYS   8           HA       LYS   8 -15.734  -3.881  -6.553
   64   1HB   LYS   8          2HB       LYS   8 -13.983  -2.741  -7.535
   65   2HB   LYS   8          1HB       LYS   8 -15.114  -1.433  -7.229
   66   1HG   LYS   8          2HG       LYS   8 -12.758  -2.138  -5.491
   67   2HG   LYS   8          1HG       LYS   8 -12.800  -0.838  -6.681
   68   1HD   LYS   8          2HD       LYS   8 -14.918  -0.891  -4.595
   69   2HD   LYS   8          1HD       LYS   8 -13.294  -0.412  -4.110
   70   1HE   LYS   8          2HE       LYS   8 -14.755   1.490  -4.765
   71   2HE   LYS   8          1HE       LYS   8 -13.269   1.370  -5.706
   72   1HZ   LYS   8          1HZ       LYS   8 -15.338   1.832  -7.006
   73   2HZ   LYS   8          2HZ       LYS   8 -15.861   0.269  -6.630
   74   3HZ   LYS   8          3HZ       LYS   8 -14.450   0.492  -7.536
   75    H    GLU   9           H        GLU   9 -14.551  -5.517  -5.796
   76    HA   GLU   9           HA       GLU   9 -13.463  -5.297  -3.092
   77   1HB   GLU   9          2HB       GLU   9 -14.456  -7.506  -4.793
   78   2HB   GLU   9          1HB       GLU   9 -13.108  -7.900  -3.735
   79   1HG   GLU   9          2HG       GLU   9 -14.982  -8.436  -2.480
   80   2HG   GLU   9          1HG       GLU   9 -14.505  -6.851  -1.870
   81    H    TYR  10           H        TYR  10 -11.322  -5.576  -2.601
   82    HA   TYR  10           HA       TYR  10  -9.474  -5.763  -4.898
   83   1HB   TYR  10          2HB       TYR  10  -8.976  -4.433  -2.226
   84   2HB   TYR  10          1HB       TYR  10  -7.895  -4.431  -3.615
   85    HD1  TYR  10           1HD      TYR  10  -8.616  -3.225  -5.709
   86    HD2  TYR  10           2HD      TYR  10 -10.689  -2.830  -2.016
   87    HE1  TYR  10           1HE      TYR  10  -9.678  -1.165  -6.531
   88    HE2  TYR  10           2HE      TYR  10 -11.754  -0.769  -2.828
   89    HH   TYR  10           HH       TYR  10 -10.696   0.913  -5.503
   90    H    LYS  11           H        LYS  11  -7.395  -6.806  -4.485
   91    HA   LYS  11           HA       LYS  11  -7.443  -8.709  -2.255
   92   1HB   LYS  11          2HB       LYS  11  -7.462  -9.295  -5.142
   93   2HB   LYS  11          1HB       LYS  11  -6.271 -10.197  -4.215
   94   1HG   LYS  11          2HG       LYS  11  -8.930 -10.132  -2.998
   95   2HG   LYS  11          1HG       LYS  11  -8.869 -10.925  -4.573
   96   1HD   LYS  11          2HD       LYS  11  -6.893 -12.238  -3.683
   97   2HD   LYS  11          1HD       LYS  11  -7.307 -11.603  -2.091
   98   1HE   LYS  11          2HE       LYS  11  -9.686 -12.603  -3.260
   99   2HE   LYS  11          1HE       LYS  11  -8.431 -13.823  -3.480
  100   1HZ   LYS  11          1HZ       LYS  11  -7.949 -13.489  -1.035
  101   2HZ   LYS  11          2HZ       LYS  11  -9.396 -14.279  -1.413
  102   3HZ   LYS  11          3HZ       LYS  11  -9.417 -12.652  -0.948
  103    H    CYS  12           H        CYS  12  -5.337  -9.642  -1.760
  104    HA   CYS  12           HA       CYS  12  -3.332  -7.777  -1.436
  105   1HB   CYS  12          2HB       CYS  12  -3.138 -10.791  -1.549
  106   2HB   CYS  12          1HB       CYS  12  -1.829  -9.744  -1.009
  107    HG   CYS  12           HG       CYS  12  -4.273  -9.205   0.636
  108    H    GLY  13           H        GLY  13  -1.733  -6.967  -2.686
  109   1HA   GLY  13          2HA       GLY  13  -0.039  -7.074  -4.332
  110   2HA   GLY  13          1HA       GLY  13  -0.865  -8.447  -5.053
  111    H    ASP  14           H        ASP  14  -3.375  -6.559  -4.625
  112    HA   ASP  14           HA       ASP  14  -3.463  -5.689  -7.334
  113   1HB   ASP  14          2HB       ASP  14  -5.413  -6.380  -5.770
  114   2HB   ASP  14          1HB       ASP  14  -5.343  -4.715  -5.197
  115    H    LEU  15           H        LEU  15  -3.203  -3.677  -8.208
  116    HA   LEU  15           HA       LEU  15  -1.888  -1.704  -6.516
  117   1HB   LEU  15          2HB       LEU  15  -2.328  -1.672  -9.503
  118   2HB   LEU  15          1HB       LEU  15  -1.301  -0.578  -8.595
  119    HG   LEU  15           HG       LEU  15  -0.854  -3.546  -8.932
  120   1HD1  LEU  15          1HD1      LEU  15   0.673  -3.089 -10.555
  121   2HD1  LEU  15          2HD1      LEU  15   1.036  -1.484  -9.921
  122   3HD1  LEU  15          3HD1      LEU  15  -0.445  -1.754 -10.840
  123   1HD2  LEU  15          1HD2      LEU  15   1.026  -3.381  -7.601
  124   2HD2  LEU  15          2HD2      LEU  15  -0.114  -2.340  -6.750
  125   3HD2  LEU  15          3HD2      LEU  15   1.129  -1.630  -7.779
  126    H    VAL  16           H        VAL  16  -3.030  -0.196  -5.562
  127    HA   VAL  16           HA       VAL  16  -5.270   1.028  -7.000
  128    HB   VAL  16           HB       VAL  16  -6.629   1.051  -4.931
  129   1HG1  VAL  16          1HG1      VAL  16  -6.552  -1.755  -5.049
  130   2HG1  VAL  16          2HG1      VAL  16  -6.091  -1.179  -6.650
  131   3HG1  VAL  16          3HG1      VAL  16  -7.616  -0.664  -5.934
  132   1HG2  VAL  16          1HG2      VAL  16  -5.469  -1.133  -3.541
  133   2HG2  VAL  16          2HG2      VAL  16  -5.724   0.516  -2.974
  134   3HG2  VAL  16          3HG2      VAL  16  -4.213   0.085  -3.775
  135    H    PHE  17           H        PHE  17  -6.086   2.983  -5.769
  136    HA   PHE  17           HA       PHE  17  -3.782   4.491  -4.703
  137   1HB   PHE  17          2HB       PHE  17  -6.165   5.332  -6.341
  138   2HB   PHE  17          1HB       PHE  17  -5.274   6.502  -5.376
  139    HD1  PHE  17           1HD      PHE  17  -2.621   6.335  -5.736
  140    HD2  PHE  17           2HD      PHE  17  -5.593   5.133  -8.529
  141    HE1  PHE  17           1HE      PHE  17  -1.005   6.610  -7.570
  142    HE2  PHE  17           2HE      PHE  17  -3.988   5.400 -10.366
  143    HZ   PHE  17           HZ       PHE  17  -1.689   6.141  -9.899
  144    H    ALA  18           H        ALA  18  -3.993   5.514  -2.734
  145    HA   ALA  18           HA       ALA  18  -6.538   5.090  -1.321
  146   1HB   ALA  18          1HB       ALA  18  -5.294   3.978   0.156
  147   2HB   ALA  18          2HB       ALA  18  -4.620   5.539   0.626
  148   3HB   ALA  18          3HB       ALA  18  -3.791   4.545  -0.572
  149    H    LYS  19           H        LYS  19  -7.658   6.858  -0.886
  150    HA   LYS  19           HA       LYS  19  -6.343   9.452  -1.016
  151   1HB   LYS  19          2HB       LYS  19  -8.731   8.595  -2.010
  152   2HB   LYS  19          1HB       LYS  19  -9.244   9.359  -0.513
  153   1HG   LYS  19          2HG       LYS  19  -7.493  10.724  -2.538
  154   2HG   LYS  19          1HG       LYS  19  -9.255  10.825  -2.548
  155   1HD   LYS  19          2HD       LYS  19  -9.111  11.663  -0.179
  156   2HD   LYS  19          1HD       LYS  19  -7.364  11.775  -0.403
  157   1HE   LYS  19          2HE       LYS  19  -7.814  13.866  -1.089
  158   2HE   LYS  19          1HE       LYS  19  -8.261  13.084  -2.604
  159   1HZ   LYS  19          1HZ       LYS  19 -10.040  14.027  -0.438
  160   2HZ   LYS  19          2HZ       LYS  19 -10.570  12.924  -1.606
  161   3HZ   LYS  19          3HZ       LYS  19 -10.050  14.464  -2.073
  162    H    MET  20           H        MET  20  -5.914  10.672   0.687
  163    HA   MET  20           HA       MET  20  -7.093   9.910   3.279
  164   1HB   MET  20          2HB       MET  20  -4.301  10.455   2.490
  165   2HB   MET  20          1HB       MET  20  -4.814  11.212   3.992
  166   1HG   MET  20          2HG       MET  20  -5.703   8.833   4.562
  167   2HG   MET  20          1HG       MET  20  -4.567   8.320   3.316
  168   1HE   MET  20          1HE       MET  20  -1.256   8.323   4.870
  169   2HE   MET  20          2HE       MET  20  -2.207   8.335   3.386
  170   3HE   MET  20          3HE       MET  20  -2.489   7.092   4.604
  171    H    LYS  21           H        LYS  21  -7.245  11.693   4.855
  172    HA   LYS  21           HA       LYS  21  -8.511  13.955   3.700
  173   1HB   LYS  21          2HB       LYS  21  -8.652  12.743   6.119
  174   2HB   LYS  21          1HB       LYS  21  -7.654  14.133   6.523
  175   1HG   LYS  21          2HG       LYS  21  -9.445  15.424   6.603
  176   2HG   LYS  21          1HG       LYS  21  -9.831  15.029   4.927
  177   1HD   LYS  21          2HD       LYS  21 -10.836  12.864   5.883
  178   2HD   LYS  21          1HD       LYS  21 -10.775  13.691   7.443
  179   1HE   LYS  21          2HE       LYS  21 -12.833  14.394   6.851
  180   2HE   LYS  21          1HE       LYS  21 -11.930  15.602   5.938
  181   1HZ   LYS  21          1HZ       LYS  21 -11.996  13.745   4.118
  182   2HZ   LYS  21          2HZ       LYS  21 -13.306  14.793   4.330
  183   3HZ   LYS  21          3HZ       LYS  21 -13.360  13.232   4.977
  184    H    GLY  22           H        GLY  22  -7.584  15.712   2.891
  185   1HA   GLY  22          2HA       GLY  22  -6.222  17.600   2.877
  186   2HA   GLY  22          1HA       GLY  22  -5.338  16.943   4.244
  187    H    TYR  23           H        TYR  23  -5.414  14.451   2.152
  188    HA   TYR  23           HA       TYR  23  -3.019  15.349   0.678
  189   1HB   TYR  23          2HB       TYR  23  -3.277  12.512   1.629
  190   2HB   TYR  23          1HB       TYR  23  -1.828  13.411   1.196
  191    HD1  TYR  23           1HD      TYR  23  -2.061  15.826   2.838
  192    HD2  TYR  23           2HD      TYR  23  -2.949  11.781   3.809
  193    HE1  TYR  23           1HE      TYR  23  -1.656  16.314   5.214
  194    HE2  TYR  23           2HE      TYR  23  -2.548  12.257   6.188
  195    HH   TYR  23           HH       TYR  23  -0.933  14.833   7.300
  196    HA   PRO  24           HA       PRO  24  -5.100  13.647  -2.826
  197   1HB   PRO  24          2HB       PRO  24  -3.084  13.509  -4.580
  198   2HB   PRO  24          1HB       PRO  24  -3.679  15.062  -3.983
  199   1HG   PRO  24          2HG       PRO  24  -1.253  13.521  -3.162
  200   2HG   PRO  24          1HG       PRO  24  -1.444  15.266  -3.404
  201   1HD   PRO  24          2HD       PRO  24  -1.502  14.003  -0.947
  202   2HD   PRO  24          1HD       PRO  24  -2.228  15.585  -1.286
  203    H    HIS  25           H        HIS  25  -5.245  11.798  -4.223
  204    HA   HIS  25           HA       HIS  25  -4.954   9.332  -3.040
  205   1HB   HIS  25          2HB       HIS  25  -4.916   9.960  -6.002
  206   2HB   HIS  25          1HB       HIS  25  -5.244   8.380  -5.300
  207    HD1  HIS  25           1HD      HIS  25  -6.733  11.841  -5.535
  208    HD2  HIS  25           2HD      HIS  25  -7.846   7.972  -4.507
  209    HE1  HIS  25           1HE      HIS  25  -9.230  11.915  -5.242
  210    HE2  HIS  25           2HE      HIS  25  -9.869   9.583  -4.535
  211    H    TRP  26           H        TRP  26  -3.151   8.307  -2.399
  212    HA   TRP  26           HA       TRP  26  -0.622   8.826  -3.783
  213   1HB   TRP  26          2HB       TRP  26  -1.068   8.937  -1.191
  214   2HB   TRP  26          1HB       TRP  26  -0.825   7.197  -1.283
  215    HD1  TRP  26           HD       TRP  26   1.657   6.395  -2.220
  216    HE1  TRP  26           1HE      TRP  26   3.954   7.525  -1.891
  217    HE3  TRP  26           3HE      TRP  26   0.100  11.105  -0.975
  218    HZ2  TRP  26           2HZ      TRP  26   4.958  10.069  -1.205
  219    HZ3  TRP  26           3HZ      TRP  26   1.778  12.818  -0.502
  220    HH2  TRP  26           HH       TRP  26   4.148  12.312  -0.614
  221    HA   PRO  27           HA       PRO  27  -0.732   4.917  -5.936
  222   1HB   PRO  27          2HB       PRO  27   2.029   4.566  -6.028
  223   2HB   PRO  27          1HB       PRO  27   1.077   5.469  -7.211
  224   1HG   PRO  27          2HG       PRO  27   2.671   6.473  -4.895
  225   2HG   PRO  27          1HG       PRO  27   2.475   7.172  -6.513
  226   1HD   PRO  27          2HD       PRO  27   1.170   8.171  -4.396
  227   2HD   PRO  27          1HD       PRO  27   0.407   8.096  -5.998
  228    H    ALA  28           H        ALA  28  -1.275   3.128  -4.859
  229    HA   ALA  28           HA       ALA  28   0.601   2.048  -2.891
  230   1HB   ALA  28          1HB       ALA  28  -2.063   1.725  -1.896
  231   2HB   ALA  28          2HB       ALA  28  -1.731   3.433  -2.193
  232   3HB   ALA  28          3HB       ALA  28  -0.672   2.497  -1.134
  233    H    ARG  29           H        ARG  29  -0.283  -0.116  -2.043
  234    HA   ARG  29           HA       ARG  29  -1.749  -1.620  -4.073
  235   1HB   ARG  29          2HB       ARG  29   0.629  -1.839  -4.676
  236   2HB   ARG  29          1HB       ARG  29   0.984  -2.426  -3.058
  237   1HG   ARG  29          2HG       ARG  29  -0.531  -4.348  -3.489
  238   2HG   ARG  29          1HG       ARG  29  -0.698  -3.781  -5.151
  239   1HD   ARG  29          2HD       ARG  29   0.984  -5.343  -5.347
  240   2HD   ARG  29          1HD       ARG  29   1.898  -3.848  -5.158
  241    HE   ARG  29           HE       ARG  29   1.894  -4.574  -2.673
  242   1HH1  ARG  29          1HH1      ARG  29   2.148  -6.715  -5.428
  243   2HH1  ARG  29          2HH1      ARG  29   3.050  -7.913  -4.565
  244   1HH2  ARG  29          1HH2      ARG  29   3.085  -6.153  -1.549
  245   2HH2  ARG  29          2HH2      ARG  29   3.584  -7.595  -2.369
  246    H    ILE  30           H        ILE  30  -2.516  -3.708  -3.279
  247    HA   ILE  30           HA       ILE  30  -3.244  -3.577  -0.488
  248    HB   ILE  30           HB       ILE  30  -3.795  -5.800  -2.460
  249   1HG1  ILE  30          2HG1      ILE  30  -4.649  -3.610  -3.248
  250   2HG1  ILE  30          1HG1      ILE  30  -5.945  -4.737  -2.862
  251   1HG2  ILE  30          1HG2      ILE  30  -4.980  -6.815  -0.864
  252   2HG2  ILE  30          2HG2      ILE  30  -5.731  -5.307  -0.342
  253   3HG2  ILE  30          3HG2      ILE  30  -4.140  -5.758   0.270
  254   1HD1  ILE  30          1HD1      ILE  30  -6.479  -3.595  -0.877
  255   2HD1  ILE  30          2HD1      ILE  30  -6.261  -2.354  -2.112
  256   3HD1  ILE  30          3HD1      ILE  30  -4.988  -2.654  -0.928
  257    H    ASP  31           H        ASP  31  -2.403  -4.780   1.168
  258    HA   ASP  31           HA       ASP  31  -0.340  -6.746   0.462
  259   1HB   ASP  31          2HB       ASP  31   0.042  -4.293   1.784
  260   2HB   ASP  31          1HB       ASP  31   0.200  -5.537   3.018
  261    H    GLU  32           H        GLU  32  -3.083  -5.998   2.439
  262    HA   GLU  32           HA       GLU  32  -3.281  -8.710   3.290
  263   1HB   GLU  32          2HB       GLU  32  -1.835  -6.919   4.981
  264   2HB   GLU  32          1HB       GLU  32  -3.337  -7.358   5.784
  265   1HG   GLU  32          2HG       GLU  32  -2.369  -9.752   4.770
  266   2HG   GLU  32          1HG       GLU  32  -0.939  -8.910   5.365
  267    H    MET  33           H        MET  33  -5.160  -9.059   4.741
  268    HA   MET  33           HA       MET  33  -7.112  -6.929   4.890
  269   1HB   MET  33          2HB       MET  33  -8.840  -8.422   3.718
  270   2HB   MET  33          1HB       MET  33  -7.693  -7.548   2.712
  271   1HG   MET  33          2HG       MET  33  -6.531 -10.045   3.328
  272   2HG   MET  33          1HG       MET  33  -8.199 -10.344   2.846
  273   1HE   MET  33          1HE       MET  33  -7.817  -7.461   0.112
  274   2HE   MET  33          2HE       MET  33  -8.929  -8.204   1.261
  275   3HE   MET  33          3HE       MET  33  -8.744  -8.886  -0.354
  276    HA   PRO  34           HA       PRO  34  -8.421  -9.292   8.376
  277   1HB   PRO  34          2HB       PRO  34 -10.951  -8.463   8.713
  278   2HB   PRO  34          1HB       PRO  34  -9.579  -7.373   8.950
  279   1HG   PRO  34          2HG       PRO  34 -11.410  -7.634   6.596
  280   2HG   PRO  34          1HG       PRO  34 -10.779  -6.167   7.366
  281   1HD   PRO  34          2HD       PRO  34  -9.737  -7.263   5.079
  282   2HD   PRO  34          1HD       PRO  34  -8.804  -6.267   6.212
  283    H    GLU  35           H        GLU  35  -9.872 -10.952   9.145
  284    HA   GLU  35           HA       GLU  35 -10.989 -12.540   6.945
  285   1HB   GLU  35          2HB       GLU  35 -10.833 -14.452   8.523
  286   2HB   GLU  35          1HB       GLU  35  -9.278 -13.710   8.171
  287   1HG   GLU  35          2HG       GLU  35  -8.917 -13.419  10.329
  288   2HG   GLU  35          1HG       GLU  35 -10.361 -12.416  10.446
  289    H    ALA  36           H        ALA  36 -11.727 -11.041   9.989
  290    HA   ALA  36           HA       ALA  36 -14.519 -11.014   9.482
  291   1HB   ALA  36          1HB       ALA  36 -13.706 -13.396  10.560
  292   2HB   ALA  36          2HB       ALA  36 -15.328 -12.717  10.702
  293   3HB   ALA  36          3HB       ALA  36 -14.154 -12.470  11.994
  294    H    ALA  37           H        ALA  37 -11.918 -10.831  11.821
  295    HA   ALA  37           HA       ALA  37 -12.782  -8.195  12.635
  296   1HB   ALA  37          1HB       ALA  37 -13.937  -9.818  14.169
  297   2HB   ALA  37          2HB       ALA  37 -12.887  -8.651  14.975
  298   3HB   ALA  37          3HB       ALA  37 -12.340 -10.311  14.733
  299    H    VAL  38           H        VAL  38 -10.593 -10.728  13.852
  300    HA   VAL  38           HA       VAL  38  -8.340 -10.812  14.096
  301    HB   VAL  38           HB       VAL  38  -8.192  -8.543  12.116
  302   1HG1  VAL  38          1HG1      VAL  38  -6.234 -10.080  13.495
  303   2HG1  VAL  38          2HG1      VAL  38  -5.997  -8.805  12.299
  304   3HG1  VAL  38          3HG1      VAL  38  -6.156 -10.483  11.779
  305   1HG2  VAL  38          1HG2      VAL  38  -8.049 -11.413  11.300
  306   2HG2  VAL  38          2HG2      VAL  38  -8.458  -9.993  10.339
  307   3HG2  VAL  38          3HG2      VAL  38  -9.622 -10.641  11.495
  308    H    LYS  39           H        LYS  39 -10.135  -8.609  15.418
  309    HA   LYS  39           HA       LYS  39  -9.887  -7.013  17.002
  310   1HB   LYS  39          2HB       LYS  39  -7.028  -7.962  17.184
  311   2HB   LYS  39          1HB       LYS  39  -7.956  -7.139  18.431
  312   1HG   LYS  39          2HG       LYS  39  -9.172  -9.620  17.454
  313   2HG   LYS  39          1HG       LYS  39  -7.612  -9.827  18.256
  314   1HD   LYS  39          2HD       LYS  39  -8.825  -9.840  20.148
  315   2HD   LYS  39          1HD       LYS  39  -8.862  -8.088  19.940
  316   1HE   LYS  39          2HE       LYS  39 -10.967  -8.430  18.577
  317   2HE   LYS  39          1HE       LYS  39 -10.961 -10.096  19.152
  318   1HZ   LYS  39          1HZ       LYS  39 -12.194  -9.221  20.796
  319   2HZ   LYS  39          2HZ       LYS  39 -11.610  -7.650  20.570
  320   3HZ   LYS  39          3HZ       LYS  39 -10.697  -8.772  21.447
  321    H    SER  40           H        SER  40  -6.538  -6.840  15.817
  322    HA   SER  40           HA       SER  40  -6.771  -3.984  15.521
  323   1HB   SER  40          2HB       SER  40  -4.568  -5.984  15.386
  324   2HB   SER  40          1HB       SER  40  -4.333  -4.458  14.536
  325    HG   SER  40           HG       SER  40  -3.609  -4.424  16.737
  326    H    THR  41           H        THR  41  -8.591  -4.730  13.844
  327    HA   THR  41           HA       THR  41  -7.613  -3.910  11.291
  328    HB   THR  41           HB       THR  41  -8.934  -6.584  11.156
  329    HG1  THR  41           1HG      THR  41  -7.227  -6.953  12.572
  330   1HG2  THR  41          1HG2      THR  41  -7.612  -6.851   9.160
  331   2HG2  THR  41          2HG2      THR  41  -6.777  -5.329   9.477
  332   3HG2  THR  41          3HG2      THR  41  -8.498  -5.328   9.096
  333    H    ALA  42           H        ALA  42 -10.180  -4.798  13.416
  334    HA   ALA  42           HA       ALA  42 -12.455  -4.606  13.330
  335   1HB   ALA  42          1HB       ALA  42 -11.891  -2.408  13.982
  336   2HB   ALA  42          2HB       ALA  42 -13.131  -2.246  12.739
  337   3HB   ALA  42          3HB       ALA  42 -11.439  -1.957  12.338
  338    H    ASN  43           H        ASN  43 -12.013  -2.541  10.518
  339    HA   ASN  43           HA       ASN  43 -12.867  -4.592   8.701
  340   1HB   ASN  43          2HB       ASN  43 -14.791  -2.763   9.876
  341   2HB   ASN  43          1HB       ASN  43 -14.739  -2.590   8.125
  342   1HD2  ASN  43          1HD2      ASN  43 -16.830  -3.664   9.857
  343   2HD2  ASN  43          2HD2      ASN  43 -17.130  -5.271   9.297
  344    H    LYS  44           H        LYS  44 -10.536  -3.436   8.595
  345    HA   LYS  44           HA       LYS  44 -10.742  -1.652   6.275
  346   1HB   LYS  44          2HB       LYS  44  -8.597  -1.139   8.293
  347   2HB   LYS  44          1HB       LYS  44  -9.302  -0.043   7.115
  348   1HG   LYS  44          2HG       LYS  44 -11.096   0.465   8.452
  349   2HG   LYS  44          1HG       LYS  44 -11.007  -1.059   9.338
  350   1HD   LYS  44          2HD       LYS  44  -8.703   0.795   9.584
  351   2HD   LYS  44          1HD       LYS  44 -10.206   1.260  10.384
  352   1HE   LYS  44          2HE       LYS  44  -9.436  -0.001  12.075
  353   2HE   LYS  44          1HE       LYS  44 -10.018  -1.350  11.100
  354   1HZ   LYS  44          1HZ       LYS  44  -7.346  -0.441  10.461
  355   2HZ   LYS  44          2HZ       LYS  44  -7.942  -2.014  10.635
  356   3HZ   LYS  44          3HZ       LYS  44  -7.512  -1.116  12.003
  357    H    TYR  45           H        TYR  45  -8.947  -1.690   4.866
  358    HA   TYR  45           HA       TYR  45  -7.487  -4.226   4.944
  359   1HB   TYR  45          2HB       TYR  45  -7.576  -2.169   2.725
  360   2HB   TYR  45          1HB       TYR  45  -6.997  -3.827   2.613
  361    HD1  TYR  45           1HD      TYR  45 -10.038  -1.782   3.183
  362    HD2  TYR  45           2HD      TYR  45  -8.470  -5.581   2.086
  363    HE1  TYR  45           1HE      TYR  45 -12.292  -2.517   2.532
  364    HE2  TYR  45           2HE      TYR  45 -10.721  -6.328   1.431
  365    HH   TYR  45           HH       TYR  45 -13.319  -5.334   2.316
  366    H    GLN  46           H        GLN  46  -5.192  -4.245   4.345
  367    HA   GLN  46           HA       GLN  46  -3.773  -1.995   5.583
  368   1HB   GLN  46          2HB       GLN  46  -3.500  -4.630   6.085
  369   2HB   GLN  46          1HB       GLN  46  -2.316  -4.462   4.796
  370   1HG   GLN  46          2HG       GLN  46  -1.826  -2.320   6.506
  371   2HG   GLN  46          1HG       GLN  46  -2.146  -3.694   7.565
  372   1HE2  GLN  46          1HE2      GLN  46  -0.490  -4.951   8.018
  373   2HE2  GLN  46          2HE2      GLN  46   0.969  -5.083   7.101
  374    H    VAL  47           H        VAL  47  -3.197  -0.492   4.169
  375    HA   VAL  47           HA       VAL  47  -2.432  -1.291   1.457
  376    HB   VAL  47           HB       VAL  47  -3.152   1.444   2.514
  377   1HG1  VAL  47          1HG1      VAL  47  -2.201   2.230   0.669
  378   2HG1  VAL  47          2HG1      VAL  47  -3.440   1.380  -0.259
  379   3HG1  VAL  47          3HG1      VAL  47  -1.892   0.599   0.068
  380   1HG2  VAL  47          1HG2      VAL  47  -5.274   1.189   1.508
  381   2HG2  VAL  47          2HG2      VAL  47  -4.993  -0.289   2.430
  382   3HG2  VAL  47          3HG2      VAL  47  -4.785  -0.288   0.679
  383    H    PHE  48           H        PHE  48  -0.539  -0.760   0.544
  384    HA   PHE  48           HA       PHE  48   1.569   0.269   2.324
  385   1HB   PHE  48          2HB       PHE  48   1.963  -1.983   1.429
  386   2HB   PHE  48          1HB       PHE  48   1.767  -1.380  -0.211
  387    HD1  PHE  48           1HD      PHE  48   3.701  -1.092  -1.395
  388    HD2  PHE  48           2HD      PHE  48   3.768  -0.504   2.820
  389    HE1  PHE  48           1HE      PHE  48   6.112  -0.608  -1.505
  390    HE2  PHE  48           2HE      PHE  48   6.178  -0.018   2.718
  391    HZ   PHE  48           HZ       PHE  48   7.353  -0.068   0.553
  392    H    PHE  49           H        PHE  49   2.240   2.278   1.955
  393    HA   PHE  49           HA       PHE  49   1.517   3.612  -0.540
  394   1HB   PHE  49          2HB       PHE  49   2.630   4.696   2.056
  395   2HB   PHE  49          1HB       PHE  49   2.232   5.680   0.651
  396    HD1  PHE  49           1HD      PHE  49  -0.195   5.535  -0.214
  397    HD2  PHE  49           2HD      PHE  49   1.022   4.248   3.653
  398    HE1  PHE  49           1HE      PHE  49  -2.521   5.694   0.563
  399    HE2  PHE  49           2HE      PHE  49  -1.299   4.404   4.437
  400    HZ   PHE  49           HZ       PHE  49  -3.078   5.124   2.893
  401    H    PHE  50           H        PHE  50   2.966   3.288  -2.136
  402    HA   PHE  50           HA       PHE  50   5.652   2.611  -1.804
  403   1HB   PHE  50          2HB       PHE  50   4.149   3.816  -4.122
  404   2HB   PHE  50          1HB       PHE  50   5.863   3.428  -4.226
  405    HD1  PHE  50           1HD      PHE  50   2.663   2.241  -4.862
  406    HD2  PHE  50           2HD      PHE  50   6.440   0.974  -3.366
  407    HE1  PHE  50           1HE      PHE  50   2.094  -0.090  -5.407
  408    HE2  PHE  50           2HE      PHE  50   5.880  -1.359  -3.913
  409    HZ   PHE  50           HZ       PHE  50   3.704  -1.893  -4.935
  410    H    GLY  51           H        GLY  51   7.425   4.062  -2.968
  411   1HA   GLY  51          2HA       GLY  51   8.713   5.973  -2.914
  412   2HA   GLY  51          1HA       GLY  51   7.249   6.880  -2.555
  413    H    THR  52           H        THR  52   6.392   6.324  -0.238
  414    HA   THR  52           HA       THR  52   8.585   6.913   1.592
  415    HB   THR  52           HB       THR  52   6.815   7.502   3.181
  416    HG1  THR  52           1HG      THR  52   4.642   7.394   2.476
  417   1HG2  THR  52          1HG2      THR  52   5.850   8.742   0.660
  418   2HG2  THR  52          2HG2      THR  52   7.504   9.049   1.189
  419   3HG2  THR  52          3HG2      THR  52   6.150   9.470   2.239
  420    H    HIS  53           H        HIS  53   6.468   4.340   0.716
  421    HA   HIS  53           HA       HIS  53   6.274   2.183   1.416
  422   1HB   HIS  53          2HB       HIS  53   8.853   2.895   2.825
  423   2HB   HIS  53          1HB       HIS  53   8.148   1.283   2.878
  424    HD1  HIS  53           1HD      HIS  53  10.696   0.985   1.715
  425    HD2  HIS  53           2HD      HIS  53   7.592   2.483  -0.606
  426    HE1  HIS  53           1HE      HIS  53  11.405   0.623  -0.671
  427    HE2  HIS  53           2HE      HIS  53   9.482   1.474  -2.056
  428    H    GLU  54           H        GLU  54   4.902   4.276   2.772
  429    HA   GLU  54           HA       GLU  54   4.947   3.553   5.596
  430   1HB   GLU  54          2HB       GLU  54   3.193   5.537   4.133
  431   2HB   GLU  54          1HB       GLU  54   3.318   5.357   5.877
  432   1HG   GLU  54          2HG       GLU  54   5.583   6.121   5.863
  433   2HG   GLU  54          1HG       GLU  54   5.625   6.115   4.100
  434    H    THR  55           H        THR  55   3.046   2.810   6.725
  435    HA   THR  55           HA       THR  55   1.127   1.450   4.962
  436    HB   THR  55           HB       THR  55   1.114  -0.113   7.198
  437    HG1  THR  55           1HG      THR  55   3.022   1.148   7.882
  438   1HG2  THR  55          1HG2      THR  55   1.228  -1.331   5.285
  439   2HG2  THR  55          2HG2      THR  55   2.888  -1.509   5.853
  440   3HG2  THR  55          3HG2      THR  55   2.509  -0.336   4.591
  441    H    ALA  56           H        ALA  56  -0.962   1.423   5.503
  442    HA   ALA  56           HA       ALA  56  -1.864   2.439   8.063
  443   1HB   ALA  56          1HB       ALA  56  -1.339   4.383   6.400
  444   2HB   ALA  56          2HB       ALA  56  -2.798   4.426   7.394
  445   3HB   ALA  56          3HB       ALA  56  -2.895   3.934   5.702
  446    H    PHE  57           H        PHE  57  -4.345   2.567   8.078
  447    HA   PHE  57           HA       PHE  57  -5.373   0.289   6.527
  448   1HB   PHE  57          2HB       PHE  57  -6.113   1.312   9.269
  449   2HB   PHE  57          1HB       PHE  57  -7.063   0.109   8.401
  450    HD1  PHE  57           1HD      PHE  57  -3.465   0.693   9.221
  451    HD2  PHE  57           2HD      PHE  57  -6.705  -2.058   9.027
  452    HE1  PHE  57           1HE      PHE  57  -2.001  -1.084  10.090
  453    HE2  PHE  57           2HE      PHE  57  -5.249  -3.841   9.899
  454    HZ   PHE  57           HZ       PHE  57  -2.894  -3.354  10.430
  455    H    LEU  58           H        LEU  58  -6.950   0.654   5.109
  456    HA   LEU  58           HA       LEU  58  -8.718   2.956   5.498
  457   1HB   LEU  58          2HB       LEU  58  -7.179   2.333   2.982
  458   2HB   LEU  58          1HB       LEU  58  -8.542   3.434   3.035
  459    HG   LEU  58           HG       LEU  58  -6.044   3.820   4.679
  460   1HD1  LEU  58          1HD1      LEU  58  -5.666   5.674   2.929
  461   2HD1  LEU  58          2HD1      LEU  58  -6.728   4.710   1.903
  462   3HD1  LEU  58          3HD1      LEU  58  -5.225   4.017   2.515
  463   1HD2  LEU  58          1HD2      LEU  58  -6.962   6.210   4.615
  464   2HD2  LEU  58          2HD2      LEU  58  -7.778   5.044   5.656
  465   3HD2  LEU  58          3HD2      LEU  58  -8.479   5.474   4.095
  466    H    GLY  59           H        GLY  59 -10.678   2.852   4.154
  467   1HA   GLY  59          2HA       GLY  59 -11.580   0.080   3.952
  468   2HA   GLY  59          1HA       GLY  59 -12.605   1.507   3.963
  469    HA   PRO  60           HA       PRO  60 -12.061  -0.190  -0.412
  470   1HB   PRO  60          2HB       PRO  60 -14.993  -0.279  -0.413
  471   2HB   PRO  60          1HB       PRO  60 -13.833  -1.540  -0.836
  472   1HG   PRO  60          2HG       PRO  60 -15.336  -1.634   1.409
  473   2HG   PRO  60          1HG       PRO  60 -13.711  -2.334   1.309
  474   1HD   PRO  60          2HD       PRO  60 -14.603   0.229   2.559
  475   2HD   PRO  60          1HD       PRO  60 -13.370  -0.925   3.108
  476    H    LYS  61           H        LYS  61 -14.168   2.171   1.112
  477    HA   LYS  61           HA       LYS  61 -14.874   3.569  -1.255
  478   1HB   LYS  61          2HB       LYS  61 -14.755   4.774   1.503
  479   2HB   LYS  61          1HB       LYS  61 -15.815   5.210   0.170
  480   1HG   LYS  61          2HG       LYS  61 -16.497   2.613   0.539
  481   2HG   LYS  61          1HG       LYS  61 -16.083   3.098   2.185
  482   1HD   LYS  61          2HD       LYS  61 -17.566   5.193   1.576
  483   2HD   LYS  61          1HD       LYS  61 -18.263   4.072   0.403
  484   1HE   LYS  61          2HE       LYS  61 -19.354   2.930   1.987
  485   2HE   LYS  61          1HE       LYS  61 -17.953   2.906   3.057
  486   1HZ   LYS  61          1HZ       LYS  61 -20.239   4.363   3.411
  487   2HZ   LYS  61          2HZ       LYS  61 -19.118   5.507   2.871
  488   3HZ   LYS  61          3HZ       LYS  61 -18.782   4.575   4.242
  489    H    ASP  62           H        ASP  62 -12.062   3.557   0.750
  490    HA   ASP  62           HA       ASP  62 -11.107   6.072  -0.406
  491   1HB   ASP  62          2HB       ASP  62 -10.125   4.362   1.875
  492   2HB   ASP  62          1HB       ASP  62  -9.179   5.697   1.225
  493    H    LEU  63           H        LEU  63 -11.180   3.054  -1.479
  494    HA   LEU  63           HA       LEU  63  -8.435   3.148  -2.546
  495   1HB   LEU  63          2HB       LEU  63 -10.226   0.748  -2.143
  496   2HB   LEU  63          1HB       LEU  63  -8.638   0.707  -2.886
  497    HG   LEU  63           HG       LEU  63  -8.901   1.787  -0.114
  498   1HD1  LEU  63          1HD1      LEU  63  -8.461  -1.132  -0.506
  499   2HD1  LEU  63          2HD1      LEU  63 -10.111  -0.510  -0.475
  500   3HD1  LEU  63          3HD1      LEU  63  -9.047  -0.259   0.909
  501   1HD2  LEU  63          1HD2      LEU  63  -6.743  -0.002  -1.122
  502   2HD2  LEU  63          2HD2      LEU  63  -6.663   1.312   0.051
  503   3HD2  LEU  63          3HD2      LEU  63  -6.792   1.675  -1.670
  504    H    PHE  64           H        PHE  64  -8.135   3.020  -4.725
  505    HA   PHE  64           HA       PHE  64 -10.493   2.640  -6.438
  506   1HB   PHE  64          2HB       PHE  64  -8.478   4.851  -6.886
  507   2HB   PHE  64          1HB       PHE  64  -9.977   4.576  -7.764
  508    HD1  PHE  64           1HD      PHE  64 -11.770   5.903  -7.240
  509    HD2  PHE  64           2HD      PHE  64  -8.823   5.155  -4.261
  510    HE1  PHE  64           1HE      PHE  64 -12.954   7.409  -5.694
  511    HE2  PHE  64           2HE      PHE  64 -10.003   6.657  -2.712
  512    HZ   PHE  64           HZ       PHE  64 -12.070   7.787  -3.427
  513    HA   PRO  65           HA       PRO  65  -7.787   0.243  -8.961
  514   1HB   PRO  65          2HB       PRO  65  -8.882   1.300 -11.440
  515   2HB   PRO  65          1HB       PRO  65  -9.107  -0.292 -10.720
  516   1HG   PRO  65          2HG       PRO  65 -11.096   1.558 -10.886
  517   2HG   PRO  65          1HG       PRO  65 -11.009   0.334  -9.607
  518   1HD   PRO  65          2HD       PRO  65 -10.261   3.230  -9.518
  519   2HD   PRO  65          1HD       PRO  65 -11.068   2.233  -8.288
  520    H    TYR  66           H        TYR  66  -5.721   0.868  -8.929
  521    HA   TYR  66           HA       TYR  66  -4.596   3.292  -9.453
  522   1HB   TYR  66          2HB       TYR  66  -3.331   1.491  -8.463
  523   2HB   TYR  66          1HB       TYR  66  -3.427   0.550  -9.948
  524    HD1  TYR  66           1HD      TYR  66  -1.975   3.610  -8.443
  525    HD2  TYR  66           2HD      TYR  66  -1.858   0.860 -11.687
  526    HE1  TYR  66           1HE      TYR  66   0.130   4.617  -9.215
  527    HE2  TYR  66           2HE      TYR  66   0.245   1.861 -12.470
  528    HH   TYR  66           HH       TYR  66   1.341   4.786 -11.549
  529    H    GLU  67           H        GLU  67  -4.702   0.632 -11.831
  530    HA   GLU  67           HA       GLU  67  -3.626   1.995 -13.989
  531   1HB   GLU  67          2HB       GLU  67  -5.836  -0.061 -14.159
  532   2HB   GLU  67          1HB       GLU  67  -4.667   0.337 -15.410
  533   1HG   GLU  67          2HG       GLU  67  -3.368  -1.275 -14.641
  534   2HG   GLU  67          1HG       GLU  67  -3.162  -0.352 -13.153
  535    H    GLU  68           H        GLU  68  -6.941   1.946 -12.840
  536    HA   GLU  68           HA       GLU  68  -8.061   3.372 -15.019
  537   1HB   GLU  68          2HB       GLU  68  -9.082   2.921 -12.218
  538   2HB   GLU  68          1HB       GLU  68 -10.016   3.673 -13.501
  539   1HG   GLU  68          2HG       GLU  68  -8.833   1.045 -14.125
  540   2HG   GLU  68          1HG       GLU  68 -10.127   1.063 -12.925
  541    H    SER  69           H        SER  69  -6.809   4.388 -11.859
  542    HA   SER  69           HA       SER  69  -7.441   7.165 -12.592
  543   1HB   SER  69          2HB       SER  69  -6.474   6.355  -9.872
  544   2HB   SER  69          1HB       SER  69  -7.500   7.713 -10.331
  545    HG   SER  69           HG       SER  69  -9.214   6.428 -10.385
  546    H    LYS  70           H        LYS  70  -5.002   5.281 -13.235
  547    HA   LYS  70           HA       LYS  70  -2.705   6.330 -12.093
  548   1HB   LYS  70          2HB       LYS  70  -3.206   4.373 -13.836
  549   2HB   LYS  70          1HB       LYS  70  -2.642   5.594 -14.968
  550   1HG   LYS  70          2HG       LYS  70  -0.670   5.794 -13.243
  551   2HG   LYS  70          1HG       LYS  70  -1.176   4.153 -12.836
  552   1HD   LYS  70          2HD       LYS  70  -1.071   3.666 -15.329
  553   2HD   LYS  70          1HD       LYS  70  -0.224   5.206 -15.488
  554   1HE   LYS  70          2HE       LYS  70   1.217   4.128 -13.514
  555   2HE   LYS  70          1HE       LYS  70   0.677   2.646 -14.306
  556   1HZ   LYS  70          1HZ       LYS  70   1.514   3.680 -16.426
  557   2HZ   LYS  70          2HZ       LYS  70   2.704   3.233 -15.311
  558   3HZ   LYS  70          3HZ       LYS  70   2.267   4.858 -15.472
  559    H    GLU  71           H        GLU  71  -4.338   7.340 -15.092
  560    HA   GLU  71           HA       GLU  71  -2.510   9.403 -15.704
  561   1HB   GLU  71          2HB       GLU  71  -5.371   9.008 -16.585
  562   2HB   GLU  71          1HB       GLU  71  -4.256  10.173 -17.290
  563   1HG   GLU  71          2HG       GLU  71  -3.105   8.596 -18.426
  564   2HG   GLU  71          1HG       GLU  71  -3.343   7.368 -17.185
  565    H    LYS  72           H        LYS  72  -5.490   9.382 -13.819
  566    HA   LYS  72           HA       LYS  72  -5.548  12.261 -13.609
  567   1HB   LYS  72          2HB       LYS  72  -7.499  11.916 -12.180
  568   2HB   LYS  72          1HB       LYS  72  -7.636  11.003 -13.676
  569   1HG   LYS  72          2HG       LYS  72  -6.955   8.976 -12.502
  570   2HG   LYS  72          1HG       LYS  72  -6.822   9.891 -11.001
  571   1HD   LYS  72          2HD       LYS  72  -8.939   9.139 -10.708
  572   2HD   LYS  72          1HD       LYS  72  -9.325  10.549 -11.697
  573   1HE   LYS  72          2HE       LYS  72  -8.905   8.806 -13.656
  574   2HE   LYS  72          1HE       LYS  72  -9.365   7.664 -12.394
  575   1HZ   LYS  72          1HZ       LYS  72 -11.374   9.118 -12.050
  576   2HZ   LYS  72          2HZ       LYS  72 -11.335   8.250 -13.501
  577   3HZ   LYS  72          3HZ       LYS  72 -10.965   9.899 -13.493
  578    H    PHE  73           H        PHE  73  -4.814   9.555 -11.423
  579    HA   PHE  73           HA       PHE  73  -4.037  11.457  -9.343
  580   1HB   PHE  73          2HB       PHE  73  -4.219   8.440  -9.265
  581   2HB   PHE  73          1HB       PHE  73  -3.869   9.477  -7.889
  582    HD1  PHE  73           1HD      PHE  73  -5.977  11.614  -9.012
  583    HD2  PHE  73           2HD      PHE  73  -6.092   7.475  -8.022
  584    HE1  PHE  73           1HE      PHE  73  -8.383  11.796  -8.537
  585    HE2  PHE  73           2HE      PHE  73  -8.499   7.652  -7.549
  586    HZ   PHE  73           HZ       PHE  73  -9.648   9.814  -7.807
  587    H    GLY  74           H        GLY  74  -2.538   9.525 -11.766
  588   1HA   GLY  74          2HA       GLY  74  -0.032   9.267 -10.344
  589   2HA   GLY  74          1HA       GLY  74  -0.345   8.790 -12.005
  590    H    LYS  75           H        LYS  75   0.103  11.663  -9.955
  591    HA   LYS  75           HA       LYS  75   1.789  12.829 -12.018
  592   1HB   LYS  75          2HB       LYS  75  -0.673  14.193 -10.916
  593   2HB   LYS  75          1HB       LYS  75   0.596  15.029 -11.799
  594   1HG   LYS  75          2HG       LYS  75  -0.195  12.819 -13.369
  595   2HG   LYS  75          1HG       LYS  75  -1.662  13.620 -12.808
  596   1HD   LYS  75          2HD       LYS  75  -0.827  15.753 -13.662
  597   2HD   LYS  75          1HD       LYS  75   0.653  14.960 -14.206
  598   1HE   LYS  75          2HE       LYS  75  -0.422  14.734 -16.160
  599   2HE   LYS  75          1HE       LYS  75  -1.271  13.411 -15.364
  600   1HZ   LYS  75          1HZ       LYS  75  -3.169  14.570 -15.287
  601   2HZ   LYS  75          2HZ       LYS  75  -2.474  15.514 -16.507
  602   3HZ   LYS  75          3HZ       LYS  75  -2.404  16.030 -14.897
  603    HA   PRO  76           HA       PRO  76   4.378  14.103  -8.691
  604   1HB   PRO  76          2HB       PRO  76   4.312  16.822  -9.920
  605   2HB   PRO  76          1HB       PRO  76   5.699  15.839  -9.437
  606   1HG   PRO  76          2HG       PRO  76   5.036  16.071 -12.003
  607   2HG   PRO  76          1HG       PRO  76   5.600  14.523 -11.346
  608   1HD   PRO  76          2HD       PRO  76   2.839  15.380 -12.078
  609   2HD   PRO  76          1HD       PRO  76   3.597  13.781 -12.208
  610    H    ASN  77           H        ASN  77   4.323  15.210  -6.728
  611    HA   ASN  77           HA       ASN  77   2.026  16.989  -6.282
  612   1HB   ASN  77          2HB       ASN  77   2.159  14.331  -5.385
  613   2HB   ASN  77          1HB       ASN  77   2.461  15.328  -3.965
  614   1HD2  ASN  77          1HD2      ASN  77   0.129  13.952  -5.874
  615   2HD2  ASN  77          2HD2      ASN  77  -1.232  14.887  -5.364
  616    H    LYS  78           H        LYS  78   2.129  18.022  -4.071
  617    HA   LYS  78           HA       LYS  78   4.788  19.135  -3.743
  618   1HB   LYS  78          2HB       LYS  78   2.213  20.174  -3.584
  619   2HB   LYS  78          1HB       LYS  78   2.764  20.143  -1.915
  620   1HG   LYS  78          2HG       LYS  78   4.749  21.188  -3.781
  621   2HG   LYS  78          1HG       LYS  78   3.260  22.132  -3.717
  622   1HD   LYS  78          2HD       LYS  78   3.529  22.648  -1.475
  623   2HD   LYS  78          1HD       LYS  78   4.587  21.266  -1.181
  624   1HE   LYS  78          2HE       LYS  78   6.336  22.360  -2.537
  625   2HE   LYS  78          1HE       LYS  78   5.278  23.757  -2.737
  626   1HZ   LYS  78          1HZ       LYS  78   6.681  24.309  -0.976
  627   2HZ   LYS  78          2HZ       LYS  78   6.575  22.778  -0.267
  628   3HZ   LYS  78          3HZ       LYS  78   5.250  23.828  -0.211
  629    H    ARG  79           H        ARG  79   2.876  16.727  -2.269
  630    HA   ARG  79           HA       ARG  79   3.732  16.984   0.407
  631   1HB   ARG  79          2HB       ARG  79   2.435  14.880  -1.234
  632   2HB   ARG  79          1HB       ARG  79   3.247  14.346   0.231
  633   1HG   ARG  79          2HG       ARG  79   1.045  16.391   0.050
  634   2HG   ARG  79          1HG       ARG  79   0.909  14.743   0.668
  635   1HD   ARG  79          2HD       ARG  79   3.029  15.956   2.069
  636   2HD   ARG  79          1HD       ARG  79   1.715  17.130   2.032
  637    HE   ARG  79           HE       ARG  79   0.485  15.763   3.407
  638   1HH1  ARG  79          1HH1      ARG  79   3.250  14.000   2.206
  639   2HH1  ARG  79          2HH1      ARG  79   3.018  12.662   3.279
  640   1HH2  ARG  79          1HH2      ARG  79   0.178  13.998   4.815
  641   2HH2  ARG  79          2HH2      ARG  79   1.274  12.658   4.759
  642    H    LYS  80           H        LYS  80   5.355  16.070  -2.400
  643    HA   LYS  80           HA       LYS  80   7.435  15.301  -2.828
  644   1HB   LYS  80          2HB       LYS  80   7.838  15.872   0.113
  645   2HB   LYS  80          1HB       LYS  80   9.129  15.457  -1.007
  646   1HG   LYS  80          2HG       LYS  80   7.510  17.957  -0.830
  647   2HG   LYS  80          1HG       LYS  80   9.260  17.757  -0.933
  648   1HD   LYS  80          2HD       LYS  80   9.006  17.009  -3.276
  649   2HD   LYS  80          1HD       LYS  80   7.267  17.289  -3.162
  650   1HE   LYS  80          2HE       LYS  80   8.882  19.579  -2.330
  651   2HE   LYS  80          1HE       LYS  80   9.136  19.113  -4.012
  652   1HZ   LYS  80          1HZ       LYS  80   6.547  19.794  -2.730
  653   2HZ   LYS  80          2HZ       LYS  80   6.698  19.195  -4.304
  654   3HZ   LYS  80          3HZ       LYS  80   7.369  20.696  -3.903
  655    H    GLY  81           H        GLY  81   8.431  13.355  -2.985
  656   1HA   GLY  81          2HA       GLY  81   8.947  11.138  -2.371
  657   2HA   GLY  81          1HA       GLY  81   7.821  11.275  -1.026
  658    H    PHE  82           H        PHE  82   5.919  12.520  -3.165
  659    HA   PHE  82           HA       PHE  82   4.300  10.288  -3.567
  660   1HB   PHE  82          2HB       PHE  82   3.520  12.625  -3.653
  661   2HB   PHE  82          1HB       PHE  82   4.405  12.861  -5.157
  662    HD1  PHE  82           1HD      PHE  82   3.714  11.609  -7.191
  663    HD2  PHE  82           2HD      PHE  82   1.399  11.627  -3.623
  664    HE1  PHE  82           1HE      PHE  82   1.758  10.828  -8.463
  665    HE2  PHE  82           2HE      PHE  82  -0.559  10.848  -4.883
  666    HZ   PHE  82           HZ       PHE  82  -0.382  10.442  -7.304
  667    H    SER  83           H        SER  83   6.243  12.042  -5.990
  668    HA   SER  83           HA       SER  83   5.846  10.353  -8.135
  669   1HB   SER  83          2HB       SER  83   8.567  11.518  -7.739
  670   2HB   SER  83          1HB       SER  83   7.568  11.468  -9.189
  671    HG   SER  83           HG       SER  83   6.830  13.354  -8.671
  672    H    GLU  84           H        GLU  84   8.351  10.134  -5.621
  673    HA   GLU  84           HA       GLU  84   9.845   8.030  -6.571
  674   1HB   GLU  84          2HB       GLU  84  10.198   9.367  -4.438
  675   2HB   GLU  84          1HB       GLU  84   9.029   8.298  -3.677
  676   1HG   GLU  84          2HG       GLU  84  10.664   6.888  -3.224
  677   2HG   GLU  84          1HG       GLU  84  10.894   6.635  -4.954
  678    H    GLY  85           H        GLY  85   6.653   7.990  -5.132
  679   1HA   GLY  85          2HA       GLY  85   6.525   5.158  -4.776
  680   2HA   GLY  85          1HA       GLY  85   5.165   6.273  -4.744
  681    H    LEU  86           H        LEU  86   5.764   7.369  -7.381
  682    HA   LEU  86           HA       LEU  86   4.189   5.663  -8.959
  683   1HB   LEU  86          2HB       LEU  86   6.087   7.858  -9.802
  684   2HB   LEU  86          1HB       LEU  86   4.904   7.103 -10.854
  685    HG   LEU  86           HG       LEU  86   4.264   8.707  -8.376
  686   1HD1  LEU  86          1HD1      LEU  86   3.211   9.801 -10.789
  687   2HD1  LEU  86          2HD1      LEU  86   4.946   9.553 -10.985
  688   3HD1  LEU  86          3HD1      LEU  86   4.341  10.523  -9.643
  689   1HD2  LEU  86          1HD2      LEU  86   2.464   7.300  -8.525
  690   2HD2  LEU  86          2HD2      LEU  86   2.619   7.103 -10.271
  691   3HD2  LEU  86          3HD2      LEU  86   1.946   8.592  -9.607
  692    H    TRP  87           H        TRP  87   7.687   6.159  -8.814
  693    HA   TRP  87           HA       TRP  87   8.375   4.438 -10.943
  694   1HB   TRP  87          2HB       TRP  87   9.969   6.056 -10.093
  695   2HB   TRP  87          1HB       TRP  87   9.953   5.299  -8.503
  696    HD1  TRP  87           HD       TRP  87  11.569   5.051 -11.901
  697    HE1  TRP  87           1HE      TRP  87  13.325   3.173 -11.883
  698    HE3  TRP  87           3HE      TRP  87  10.453   2.944  -7.380
  699    HZ2  TRP  87           2HZ      TRP  87  14.125   1.063 -10.178
  700    HZ3  TRP  87           3HZ      TRP  87  11.758   0.999  -6.629
  701    HH2  TRP  87           HH       TRP  87  13.555   0.078  -8.000
  702    H    GLU  88           H        GLU  88   8.126   3.862  -7.429
  703    HA   GLU  88           HA       GLU  88   9.032   1.205  -7.473
  704   1HB   GLU  88          2HB       GLU  88   7.667   2.972  -5.561
  705   2HB   GLU  88          1HB       GLU  88   7.331   1.262  -5.333
  706   1HG   GLU  88          2HG       GLU  88   9.168   1.435  -4.028
  707   2HG   GLU  88          1HG       GLU  88   9.960   1.089  -5.564
  708    H    ILE  89           H        ILE  89   5.677   2.452  -7.443
  709    HA   ILE  89           HA       ILE  89   4.345   0.042  -7.450
  710    HB   ILE  89           HB       ILE  89   3.284   2.266  -7.230
  711   1HG1  ILE  89          2HG1      ILE  89   1.561   1.353  -9.316
  712   2HG1  ILE  89          1HG1      ILE  89   2.270  -0.053  -8.525
  713   1HG2  ILE  89          1HG2      ILE  89   4.153   3.632  -8.868
  714   2HG2  ILE  89          2HG2      ILE  89   2.541   3.278  -9.489
  715   3HG2  ILE  89          3HG2      ILE  89   3.942   2.427 -10.140
  716   1HD1  ILE  89          1HD1      ILE  89   0.227   1.750  -7.594
  717   2HD1  ILE  89          2HD1      ILE  89   1.559   1.624  -6.443
  718   3HD1  ILE  89          3HD1      ILE  89   0.710   0.170  -6.975
  719    H    GLU  90           H        GLU  90   6.090   1.559 -10.040
  720    HA   GLU  90           HA       GLU  90   5.012  -0.329 -11.999
  721   1HB   GLU  90          2HB       GLU  90   6.578   2.216 -12.203
  722   2HB   GLU  90          1HB       GLU  90   6.536   1.094 -13.556
  723   1HG   GLU  90          2HG       GLU  90   3.936   1.820 -12.359
  724   2HG   GLU  90          1HG       GLU  90   4.788   3.085 -13.244
  725    H    ASN  91           H        ASN  91   8.152   0.673 -10.656
  726    HA   ASN  91           HA       ASN  91   9.559  -1.349 -12.148
  727   1HB   ASN  91          2HB       ASN  91  10.268   0.955 -10.524
  728   2HB   ASN  91          1HB       ASN  91  11.296  -0.430 -10.178
  729   1HD2  ASN  91          1HD2      ASN  91   9.944   1.386 -12.901
  730   2HD2  ASN  91          2HD2      ASN  91  11.343   1.253 -13.907
  731    H    ASN  92           H        ASN  92   8.298  -1.028  -8.889
  732    HA   ASN  92           HA       ASN  92   8.726  -3.851  -8.460
  733   1HB   ASN  92          2HB       ASN  92  10.856  -2.656  -7.729
  734   2HB   ASN  92          1HB       ASN  92   9.892  -1.934  -6.445
  735   1HD2  ASN  92          1HD2      ASN  92  12.122  -4.070  -6.742
  736   2HD2  ASN  92          2HD2      ASN  92  11.592  -5.322  -5.675
  737    HA   PRO  93           HA       PRO  93   4.875  -2.305  -6.509
  738   1HB   PRO  93          2HB       PRO  93   3.272  -4.284  -7.358
  739   2HB   PRO  93          1HB       PRO  93   3.719  -2.933  -8.407
  740   1HG   PRO  93          2HG       PRO  93   4.840  -5.707  -8.309
  741   2HG   PRO  93          1HG       PRO  93   4.430  -4.715  -9.721
  742   1HD   PRO  93          2HD       PRO  93   6.975  -5.002  -8.753
  743   2HD   PRO  93          1HD       PRO  93   6.417  -3.576  -9.649
  744    H    THR  94           H        THR  94   6.754  -5.156  -6.190
  745    HA   THR  94           HA       THR  94   5.188  -6.024  -3.862
  746    HB   THR  94           HB       THR  94   6.493  -8.129  -4.032
  747    HG1  THR  94           1HG      THR  94   8.283  -7.049  -5.170
  748   1HG2  THR  94          1HG2      THR  94   5.692  -8.419  -6.655
  749   2HG2  THR  94          2HG2      THR  94   4.603  -7.191  -6.008
  750   3HG2  THR  94          3HG2      THR  94   4.731  -8.761  -5.216
  751    H    VAL  95           H        VAL  95   7.428  -3.846  -4.233
  752    HA   VAL  95           HA       VAL  95   9.632  -4.646  -2.694
  753    HB   VAL  95           HB       VAL  95   9.647  -2.632  -4.099
  754   1HG1  VAL  95          1HG1      VAL  95   8.562  -0.638  -2.517
  755   2HG1  VAL  95          2HG1      VAL  95   7.370  -1.936  -2.441
  756   3HG1  VAL  95          3HG1      VAL  95   7.871  -1.289  -4.003
  757   1HG2  VAL  95          1HG2      VAL  95  11.009  -1.308  -2.696
  758   2HG2  VAL  95          2HG2      VAL  95  11.190  -2.963  -2.117
  759   3HG2  VAL  95          3HG2      VAL  95  10.156  -1.832  -1.244
  760    H    LYS  96           H        LYS  96  10.172  -4.292  -0.534
  761    HA   LYS  96           HA       LYS  96   8.214  -3.268   1.318
  762   1HB   LYS  96          2HB       LYS  96   8.932  -6.193   1.250
  763   2HB   LYS  96          1HB       LYS  96   8.275  -5.413   2.682
  764   1HG   LYS  96          2HG       LYS  96   6.303  -4.730   1.309
  765   2HG   LYS  96          1HG       LYS  96   6.945  -5.729   0.003
  766   1HD   LYS  96          2HD       LYS  96   6.967  -7.636   1.697
  767   2HD   LYS  96          1HD       LYS  96   5.968  -6.593   2.712
  768   1HE   LYS  96          2HE       LYS  96   4.287  -6.463   0.965
  769   2HE   LYS  96          1HE       LYS  96   5.298  -7.430  -0.108
  770   1HZ   LYS  96          1HZ       LYS  96   4.605  -8.559   2.500
  771   2HZ   LYS  96          2HZ       LYS  96   4.829  -9.333   1.013
  772   3HZ   LYS  96          3HZ       LYS  96   3.390  -8.500   1.323
  773    H    ALA  97           H        ALA  97   9.041  -3.369   3.598
  774    HA   ALA  97           HA       ALA  97  11.974  -3.094   3.591
  775   1HB   ALA  97          1HB       ALA  97  10.160  -1.807   5.604
  776   2HB   ALA  97          2HB       ALA  97  10.490  -1.055   4.043
  777   3HB   ALA  97          3HB       ALA  97  11.813  -1.374   5.165
  778    H    SER  98           H        SER  98  13.180  -4.012   5.226
  779    HA   SER  98           HA       SER  98  11.872  -6.184   6.657
  780   1HB   SER  98          2HB       SER  98  14.260  -6.072   5.357
  781   2HB   SER  98          1HB       SER  98  14.776  -5.785   7.018
  782    HG   SER  98           HG       SER  98  13.422  -7.708   7.506
  783    H    GLY  99           H        GLY  99  11.218  -5.974   8.688
  784   1HA   GLY  99          2HA       GLY  99  12.673  -4.093  10.438
  785   2HA   GLY  99          1HA       GLY  99  10.916  -4.118  10.394
  786    H    TYR 100           H        TYR 100  13.639  -5.290  11.939
  787    HA   TYR 100           HA       TYR 100  12.328  -7.706  12.928
  788   1HB   TYR 100          2HB       TYR 100  14.813  -7.554  12.229
  789   2HB   TYR 100          1HB       TYR 100  15.049  -6.738  13.772
  790    HD1  TYR 100           1HD      TYR 100  13.823  -9.890  12.246
  791    HD2  TYR 100           2HD      TYR 100  15.274  -7.969  15.752
  792    HE1  TYR 100           1HE      TYR 100  13.997 -12.071  13.363
  793    HE2  TYR 100           2HE      TYR 100  15.454 -10.144  16.878
  794    HH   TYR 100           HH       TYR 100  15.270 -13.088  15.235
  795    H    GLN 101           H        GLN 101  11.931  -8.079  15.130
  796    HA   GLN 101           HA       GLN 101  12.449  -6.150  17.149
  797   1HB   GLN 101          2HB       GLN 101  10.646  -4.984  15.889
  798   2HB   GLN 101          1HB       GLN 101   9.579  -6.342  16.220
  799   1HG   GLN 101          2HG       GLN 101   8.974  -4.847  17.853
  800   2HG   GLN 101          1HG       GLN 101  10.147  -5.855  18.701
  801   1HE2  GLN 101          1HE2      GLN 101  10.338  -3.077  16.495
  802   2HE2  GLN 101          2HE2      GLN 101  11.374  -2.131  17.503
  803    H    SER 102           H        SER 102  10.352  -8.796  16.087
  804    HA   SER 102           HA       SER 102   9.740 -10.745  17.087
  805   1HB   SER 102          2HB       SER 102  11.771 -10.219  19.251
  806   2HB   SER 102          1HB       SER 102  11.210 -11.770  18.627
  807    HG   SER 102           HG       SER 102  12.250 -11.215  16.635
  808    H    SER 103           H        SER 103   8.444  -8.262  17.771
  809    HA   SER 103           HA       SER 103   7.093  -9.155  20.175
  810   1HB   SER 103          2HB       SER 103   9.096  -7.377  20.575
  811   2HB   SER 103          1HB       SER 103   7.758  -6.271  20.262
  812    HG   SER 103           HG       SER 103   7.833  -8.330  22.217
  813    H    GLN 104           H        GLN 104   5.157  -9.370  19.193
  814    HA   GLN 104           HA       GLN 104   3.975  -6.934  18.046
  815   1HB   GLN 104          2HB       GLN 104   4.685  -9.002  16.473
  816   2HB   GLN 104          1HB       GLN 104   3.076  -9.534  16.943
  817   1HG   GLN 104          2HG       GLN 104   2.846  -8.359  14.910
  818   2HG   GLN 104          1HG       GLN 104   2.219  -7.308  16.179
  819   1HE2  GLN 104          1HE2      GLN 104   4.722  -7.806  13.840
  820   2HE2  GLN 104          2HE2      GLN 104   5.438  -6.239  13.965
  821    H    LYS 105           H        LYS 105   3.167 -10.223  19.165
  822    HA   LYS 105           HA       LYS 105   1.476 -11.017  20.461
  823   1HB   LYS 105          2HB       LYS 105   1.640  -8.183  21.474
  824   2HB   LYS 105          1HB       LYS 105   0.516  -9.354  22.150
  825   1HG   LYS 105          2HG       LYS 105   2.123 -10.445  23.272
  826   2HG   LYS 105          1HG       LYS 105   3.296 -10.277  21.965
  827   1HD   LYS 105          2HD       LYS 105   4.150  -9.007  23.764
  828   2HD   LYS 105          1HD       LYS 105   3.477  -7.837  22.627
  829   1HE   LYS 105          2HE       LYS 105   1.937  -8.907  24.981
  830   2HE   LYS 105          1HE       LYS 105   2.944  -7.462  25.074
  831   1HZ   LYS 105          1HZ       LYS 105   0.985  -6.501  24.531
  832   2HZ   LYS 105          2HZ       LYS 105   0.389  -7.864  23.725
  833   3HZ   LYS 105          3HZ       LYS 105   1.502  -6.849  22.959
  834    H    LYS 106           H        LYS 106  -0.116 -11.569  19.070
  835    HA   LYS 106           HA       LYS 106  -2.097  -9.494  18.397
  836   1HB   LYS 106          2HB       LYS 106  -0.627 -11.028  16.638
  837   2HB   LYS 106          1HB       LYS 106  -2.151 -11.899  16.732
  838   1HG   LYS 106          2HG       LYS 106  -3.325  -9.770  16.205
  839   2HG   LYS 106          1HG       LYS 106  -1.748  -9.023  15.950
  840   1HD   LYS 106          2HD       LYS 106  -1.356 -10.193  14.016
  841   2HD   LYS 106          1HD       LYS 106  -2.368 -11.552  14.508
  842   1HE   LYS 106          2HE       LYS 106  -4.315 -10.519  13.839
  843   2HE   LYS 106          1HE       LYS 106  -3.635  -8.900  13.997
  844   1HZ   LYS 106          1HZ       LYS 106  -3.366 -10.820  11.790
  845   2HZ   LYS 106          2HZ       LYS 106  -2.125  -9.702  12.060
  846   3HZ   LYS 106          3HZ       LYS 106  -3.695  -9.161  11.738
  847    H    SER 107           H        SER 107  -4.326 -10.224  18.216
  848    HA   SER 107           HA       SER 107  -6.187 -11.214  19.068
  849   1HB   SER 107          2HB       SER 107  -5.394 -13.157  17.792
  850   2HB   SER 107          1HB       SER 107  -4.404 -13.660  19.162
  851    HG   SER 107           HG       SER 107  -7.205 -13.314  19.356
  852    H    CYS 108           H        CYS 108  -6.617 -10.286  20.985
  853    HA   CYS 108           HA       CYS 108  -5.032 -10.581  23.310
  854   1HB   CYS 108          2HB       CYS 108  -6.692  -8.711  22.751
  855   2HB   CYS 108          1HB       CYS 108  -7.947  -9.814  23.304
  856    HG   CYS 108           HG       CYS 108  -6.469  -9.790  25.638
  857    H    ALA 109           H        ALA 109  -4.718 -12.696  23.879
  858    HA   ALA 109           HA       ALA 109  -7.077 -14.366  24.370
  859   1HB   ALA 109          1HB       ALA 109  -5.736 -16.228  24.157
  860   2HB   ALA 109          2HB       ALA 109  -4.279 -15.367  24.651
  861   3HB   ALA 109          3HB       ALA 109  -4.956 -15.103  23.044
  862    H    GLU 110           H        GLU 110  -4.202 -13.082  25.982
  863    HA   GLU 110           HA       GLU 110  -3.684 -12.781  28.175
  864   1HB   GLU 110          2HB       GLU 110  -6.663 -13.085  28.602
  865   2HB   GLU 110          1HB       GLU 110  -5.519 -12.392  29.744
  866   1HG   GLU 110          2HG       GLU 110  -5.598 -11.171  27.059
  867   2HG   GLU 110          1HG       GLU 110  -7.016 -10.932  28.080
  Start of MODEL   17
    1   1H    MET   1          1HT       MET   1 -18.788  15.981 -12.224
    2   2H    MET   1          2HT       MET   1 -17.212  16.315 -12.813
    3   3H    MET   1          3HT       MET   1 -17.851  17.221 -11.504
    4    HA   MET   1           HA       MET   1 -17.663  14.333 -11.248
    5   1HB   MET   1          2HB       MET   1 -15.360  16.286 -11.043
    6   2HB   MET   1          1HB       MET   1 -15.322  14.648 -10.405
    7   1HG   MET   1          2HG       MET   1 -16.120  14.751 -13.198
    8   2HG   MET   1          1HG       MET   1 -14.522  15.439 -12.912
    9   1HE   MET   1          1HE       MET   1 -15.144  11.925 -14.427
   10   2HE   MET   1          2HE       MET   1 -13.438  12.372 -14.394
   11   3HE   MET   1          3HE       MET   1 -14.660  13.587 -14.769
   12    H    SER   2           H        SER   2 -18.981  14.191  -9.521
   13    HA   SER   2           HA       SER   2 -18.155  15.444  -7.058
   14   1HB   SER   2          2HB       SER   2 -20.265  16.558  -6.586
   15   2HB   SER   2          1HB       SER   2 -19.601  17.181  -8.095
   16    HG   SER   2           HG       SER   2 -21.020  15.677  -9.177
   17    H    ARG   3           H        ARG   3 -20.765  13.640  -8.666
   18    HA   ARG   3           HA       ARG   3 -20.797  11.820  -6.347
   19   1HB   ARG   3          2HB       ARG   3 -22.908  13.377  -7.322
   20   2HB   ARG   3          1HB       ARG   3 -23.246  11.750  -7.897
   21   1HG   ARG   3          2HG       ARG   3 -23.444  10.894  -5.758
   22   2HG   ARG   3          1HG       ARG   3 -22.516  12.210  -5.037
   23   1HD   ARG   3          2HD       ARG   3 -25.295  12.399  -6.191
   24   2HD   ARG   3          1HD       ARG   3 -24.870  12.425  -4.481
   25    HE   ARG   3           HE       ARG   3 -23.459  14.494  -5.541
   26   1HH1  ARG   3          1HH1      ARG   3 -26.830  13.592  -5.560
   27   2HH1  ARG   3          2HH1      ARG   3 -27.396  15.227  -5.645
   28   1HH2  ARG   3          1HH2      ARG   3 -24.201  16.645  -5.654
   29   2HH2  ARG   3          2HH2      ARG   3 -25.904  16.959  -5.700
   30    H    SER   4           H        SER   4 -19.571  10.160  -7.060
   31    HA   SER   4           HA       SER   4 -20.641   8.533  -9.197
   32   1HB   SER   4          2HB       SER   4 -18.003   9.949  -9.421
   33   2HB   SER   4          1HB       SER   4 -18.229   8.376 -10.186
   34    HG   SER   4           HG       SER   4 -20.165   9.379 -11.155
   35    H    ASN   5           H        ASN   5 -20.988   7.015  -7.561
   36    HA   ASN   5           HA       ASN   5 -18.637   5.985  -6.155
   37   1HB   ASN   5          2HB       ASN   5 -20.247   4.735  -4.782
   38   2HB   ASN   5          1HB       ASN   5 -20.628   6.454  -4.800
   39   1HD2  ASN   5          1HD2      ASN   5 -22.442   7.174  -5.924
   40   2HD2  ASN   5          2HD2      ASN   5 -23.710   6.098  -6.392
   41    H    ARG   6           H        ARG   6 -18.275   3.664  -6.055
   42    HA   ARG   6           HA       ARG   6 -19.546   1.923  -7.933
   43   1HB   ARG   6          2HB       ARG   6 -17.254   3.442  -8.803
   44   2HB   ARG   6          1HB       ARG   6 -16.876   1.726  -8.802
   45   1HG   ARG   6          2HG       ARG   6 -19.247   2.971 -10.178
   46   2HG   ARG   6          1HG       ARG   6 -17.733   2.514 -10.964
   47   1HD   ARG   6          2HD       ARG   6 -18.091   0.199 -10.425
   48   2HD   ARG   6          1HD       ARG   6 -19.508   0.600  -9.456
   49    HE   ARG   6           HE       ARG   6 -19.929   1.543 -12.052
   50   1HH1  ARG   6          1HH1      ARG   6 -19.597  -1.495 -10.369
   51   2HH1  ARG   6          2HH1      ARG   6 -20.594  -2.366 -11.485
   52   1HH2  ARG   6          1HH2      ARG   6 -21.243   0.400 -13.521
   53   2HH2  ARG   6          2HH2      ARG   6 -21.529  -1.291 -13.274
   54    H    GLN   7           H        GLN   7 -19.663   0.127  -6.771
   55    HA   GLN   7           HA       GLN   7 -17.801  -0.477  -4.681
   56   1HB   GLN   7          2HB       GLN   7 -20.161  -1.932  -5.856
   57   2HB   GLN   7          1HB       GLN   7 -19.142  -2.668  -4.625
   58   1HG   GLN   7          2HG       GLN   7 -19.662  -0.319  -3.438
   59   2HG   GLN   7          1HG       GLN   7 -21.127  -0.504  -4.402
   60   1HE2  GLN   7          1HE2      GLN   7 -22.545  -0.943  -2.801
   61   2HE2  GLN   7          2HE2      GLN   7 -22.462  -2.338  -1.785
   62    H    LYS   8           H        LYS   8 -16.051  -1.756  -4.728
   63    HA   LYS   8           HA       LYS   8 -15.699  -3.742  -6.801
   64   1HB   LYS   8          2HB       LYS   8 -14.904  -1.521  -7.754
   65   2HB   LYS   8          1HB       LYS   8 -13.623  -1.568  -6.549
   66   1HG   LYS   8          2HG       LYS   8 -13.271  -3.986  -7.615
   67   2HG   LYS   8          1HG       LYS   8 -13.978  -3.167  -9.009
   68   1HD   LYS   8          2HD       LYS   8 -12.216  -1.301  -8.313
   69   2HD   LYS   8          1HD       LYS   8 -11.383  -2.705  -7.642
   70   1HE   LYS   8          2HE       LYS   8 -12.019  -3.690 -10.046
   71   2HE   LYS   8          1HE       LYS   8 -11.928  -1.978 -10.460
   72   1HZ   LYS   8          1HZ       LYS   8  -9.695  -1.880  -9.699
   73   2HZ   LYS   8          2HZ       LYS   8  -9.808  -3.225 -10.718
   74   3HZ   LYS   8          3HZ       LYS   8  -9.769  -3.438  -9.042
   75    H    GLU   9           H        GLU   9 -14.463  -5.406  -6.128
   76    HA   GLU   9           HA       GLU   9 -13.353  -5.227  -3.430
   77   1HB   GLU   9          2HB       GLU   9 -14.239  -7.482  -5.189
   78   2HB   GLU   9          1HB       GLU   9 -13.103  -7.801  -3.885
   79   1HG   GLU   9          2HG       GLU   9 -14.731  -6.773  -2.308
   80   2HG   GLU   9          1HG       GLU   9 -15.878  -6.669  -3.643
   81    H    TYR  10           H        TYR  10 -11.224  -5.599  -2.951
   82    HA   TYR  10           HA       TYR  10  -9.397  -5.882  -5.255
   83   1HB   TYR  10          2HB       TYR  10  -8.825  -4.431  -2.660
   84   2HB   TYR  10          1HB       TYR  10  -7.800  -4.485  -4.092
   85    HD1  TYR  10           1HD      TYR  10 -10.774  -3.001  -2.576
   86    HD2  TYR  10           2HD      TYR  10  -8.368  -3.186  -6.079
   87    HE1  TYR  10           1HE      TYR  10 -11.886  -0.984  -3.438
   88    HE2  TYR  10           2HE      TYR  10  -9.471  -1.169  -6.950
   89    HH   TYR  10           HH       TYR  10 -12.287   0.175  -5.464
   90    H    LYS  11           H        LYS  11  -7.279  -6.880  -4.715
   91    HA   LYS  11           HA       LYS  11  -7.420  -8.711  -2.433
   92   1HB   LYS  11          2HB       LYS  11  -6.837  -9.473  -5.292
   93   2HB   LYS  11          1HB       LYS  11  -6.482 -10.513  -3.918
   94   1HG   LYS  11          2HG       LYS  11  -9.200  -9.533  -4.767
   95   2HG   LYS  11          1HG       LYS  11  -8.565 -11.170  -4.941
   96   1HD   LYS  11          2HD       LYS  11  -8.221 -10.712  -2.271
   97   2HD   LYS  11          1HD       LYS  11  -9.713  -9.829  -2.601
   98   1HE   LYS  11          2HE       LYS  11 -10.260 -12.086  -3.921
   99   2HE   LYS  11          1HE       LYS  11  -9.153 -12.737  -2.712
  100   1HZ   LYS  11          1HZ       LYS  11 -10.722 -12.601  -1.169
  101   2HZ   LYS  11          2HZ       LYS  11 -11.832 -12.207  -2.382
  102   3HZ   LYS  11          3HZ       LYS  11 -11.046 -10.980  -1.523
  103    H    CYS  12           H        CYS  12  -5.318  -9.745  -1.949
  104    HA   CYS  12           HA       CYS  12  -3.302  -7.906  -1.539
  105   1HB   CYS  12          2HB       CYS  12  -1.898  -9.774  -0.922
  106   2HB   CYS  12          1HB       CYS  12  -3.541 -10.096  -0.379
  107    HG   CYS  12           HG       CYS  12  -3.735 -11.718  -2.508
  108    H    GLY  13           H        GLY  13  -1.700  -7.059  -2.776
  109   1HA   GLY  13          2HA       GLY  13  -0.004  -7.123  -4.415
  110   2HA   GLY  13          1HA       GLY  13  -0.803  -8.503  -5.151
  111    H    ASP  14           H        ASP  14  -3.331  -6.613  -4.707
  112    HA   ASP  14           HA       ASP  14  -3.406  -5.741  -7.423
  113   1HB   ASP  14          2HB       ASP  14  -5.355  -6.462  -5.823
  114   2HB   ASP  14          1HB       ASP  14  -5.350  -4.761  -5.364
  115    H    LEU  15           H        LEU  15  -3.274  -3.694  -8.268
  116    HA   LEU  15           HA       LEU  15  -1.949  -1.723  -6.577
  117   1HB   LEU  15          2HB       LEU  15  -2.468  -1.599  -9.547
  118   2HB   LEU  15          1HB       LEU  15  -1.369  -0.589  -8.626
  119    HG   LEU  15           HG       LEU  15  -1.065  -3.508  -9.301
  120   1HD1  LEU  15          1HD1      LEU  15   1.060  -1.491  -9.711
  121   2HD1  LEU  15          2HD1      LEU  15  -0.352  -1.402 -10.764
  122   3HD1  LEU  15          3HD1      LEU  15   0.606  -2.881 -10.696
  123   1HD2  LEU  15          1HD2      LEU  15   1.232  -2.772  -7.982
  124   2HD2  LEU  15          2HD2      LEU  15  -0.066  -3.767  -7.321
  125   3HD2  LEU  15          3HD2      LEU  15  -0.040  -2.032  -7.007
  126    H    VAL  16           H        VAL  16  -3.084  -0.223  -5.590
  127    HA   VAL  16           HA       VAL  16  -5.379   0.973  -6.962
  128    HB   VAL  16           HB       VAL  16  -6.709   0.960  -4.893
  129   1HG1  VAL  16          1HG1      VAL  16  -7.415  -0.726  -6.281
  130   2HG1  VAL  16          2HG1      VAL  16  -6.985  -1.643  -4.837
  131   3HG1  VAL  16          3HG1      VAL  16  -5.875  -1.583  -6.205
  132   1HG2  VAL  16          1HG2      VAL  16  -5.977   0.213  -2.906
  133   2HG2  VAL  16          2HG2      VAL  16  -4.374   0.428  -3.606
  134   3HG2  VAL  16          3HG2      VAL  16  -5.136  -1.163  -3.619
  135    H    PHE  17           H        PHE  17  -6.205   2.897  -5.653
  136    HA   PHE  17           HA       PHE  17  -3.891   4.438  -4.656
  137   1HB   PHE  17          2HB       PHE  17  -6.205   5.166  -6.398
  138   2HB   PHE  17          1HB       PHE  17  -5.579   6.393  -5.303
  139    HD1  PHE  17           1HD      PHE  17  -2.873   6.445  -5.322
  140    HD2  PHE  17           2HD      PHE  17  -5.394   5.222  -8.519
  141    HE1  PHE  17           1HE      PHE  17  -1.079   6.946  -6.922
  142    HE2  PHE  17           2HE      PHE  17  -3.607   5.722 -10.128
  143    HZ   PHE  17           HZ       PHE  17  -1.441   6.587  -9.334
  144    H    ALA  18           H        ALA  18  -4.061   5.423  -2.671
  145    HA   ALA  18           HA       ALA  18  -6.594   5.000  -1.229
  146   1HB   ALA  18          1HB       ALA  18  -4.703   5.446   0.715
  147   2HB   ALA  18          2HB       ALA  18  -3.814   4.529  -0.500
  148   3HB   ALA  18          3HB       ALA  18  -5.296   3.870   0.192
  149    H    LYS  19           H        LYS  19  -7.716   6.759  -0.733
  150    HA   LYS  19           HA       LYS  19  -6.459   9.374  -0.944
  151   1HB   LYS  19          2HB       LYS  19  -8.638   8.927  -2.054
  152   2HB   LYS  19          1HB       LYS  19  -9.360   8.673  -0.471
  153   1HG   LYS  19          2HG       LYS  19  -9.900  10.877  -1.178
  154   2HG   LYS  19          1HG       LYS  19  -8.714  11.005   0.121
  155   1HD   LYS  19          2HD       LYS  19  -6.957  11.463  -1.428
  156   2HD   LYS  19          1HD       LYS  19  -7.992  11.072  -2.803
  157   1HE   LYS  19          2HE       LYS  19  -9.447  12.986  -2.177
  158   2HE   LYS  19          1HE       LYS  19  -8.287  13.406  -0.919
  159   1HZ   LYS  19          1HZ       LYS  19  -8.245  14.256  -3.519
  160   2HZ   LYS  19          2HZ       LYS  19  -7.027  13.083  -3.458
  161   3HZ   LYS  19          3HZ       LYS  19  -6.986  14.401  -2.397
  162    H    MET  20           H        MET  20  -5.972  10.649   0.716
  163    HA   MET  20           HA       MET  20  -7.033   9.984   3.376
  164   1HB   MET  20          2HB       MET  20  -4.264   9.901   2.479
  165   2HB   MET  20          1HB       MET  20  -4.478  10.981   3.851
  166   1HG   MET  20          2HG       MET  20  -5.765   9.015   4.907
  167   2HG   MET  20          1HG       MET  20  -4.968   8.040   3.673
  168   1HE   MET  20          1HE       MET  20  -1.290   9.030   4.244
  169   2HE   MET  20          2HE       MET  20  -2.563   8.679   3.075
  170   3HE   MET  20          3HE       MET  20  -1.948   7.399   4.121
  171    H    LYS  21           H        LYS  21  -7.357  11.721   4.766
  172    HA   LYS  21           HA       LYS  21  -7.923  14.211   3.550
  173   1HB   LYS  21          2HB       LYS  21  -8.213  14.970   5.973
  174   2HB   LYS  21          1HB       LYS  21  -9.243  13.657   5.419
  175   1HG   LYS  21          2HG       LYS  21  -6.749  12.719   6.586
  176   2HG   LYS  21          1HG       LYS  21  -7.722  13.673   7.706
  177   1HD   LYS  21          2HD       LYS  21  -9.589  12.224   7.453
  178   2HD   LYS  21          1HD       LYS  21  -8.844  11.401   6.080
  179   1HE   LYS  21          2HE       LYS  21  -7.485  11.402   8.743
  180   2HE   LYS  21          1HE       LYS  21  -8.817  10.289   8.436
  181   1HZ   LYS  21          1HZ       LYS  21  -6.407  10.496   6.717
  182   2HZ   LYS  21          2HZ       LYS  21  -7.626   9.327   6.628
  183   3HZ   LYS  21          3HZ       LYS  21  -6.584   9.362   7.960
  184    H    GLY  22           H        GLY  22  -6.530  15.752   2.995
  185   1HA   GLY  22          2HA       GLY  22  -4.911  17.404   3.611
  186   2HA   GLY  22          1HA       GLY  22  -4.210  16.248   4.733
  187    H    TYR  23           H        TYR  23  -4.836  14.531   2.007
  188    HA   TYR  23           HA       TYR  23  -2.564  15.351   0.425
  189   1HB   TYR  23          2HB       TYR  23  -2.398  12.510   1.324
  190   2HB   TYR  23          1HB       TYR  23  -1.114  13.607   0.830
  191    HD1  TYR  23           1HD      TYR  23  -0.129  15.168   2.439
  192    HD2  TYR  23           2HD      TYR  23  -3.138  12.404   3.615
  193    HE1  TYR  23           1HE      TYR  23   0.436  15.568   4.799
  194    HE2  TYR  23           2HE      TYR  23  -2.584  12.793   5.979
  195    HH   TYR  23           HH       TYR  23  -0.664  15.372   7.014
  196    HA   PRO  24           HA       PRO  24  -5.205  13.555  -2.634
  197   1HB   PRO  24          2HB       PRO  24  -3.482  13.383  -4.712
  198   2HB   PRO  24          1HB       PRO  24  -4.138  14.923  -4.145
  199   1HG   PRO  24          2HG       PRO  24  -1.473  13.682  -3.594
  200   2HG   PRO  24          1HG       PRO  24  -1.871  15.370  -3.963
  201   1HD   PRO  24          2HD       PRO  24  -1.400  14.466  -1.436
  202   2HD   PRO  24          1HD       PRO  24  -2.476  15.831  -1.794
  203    H    HIS  25           H        HIS  25  -5.354  11.690  -4.127
  204    HA   HIS  25           HA       HIS  25  -4.995   9.258  -2.937
  205   1HB   HIS  25          2HB       HIS  25  -4.853   9.721  -5.924
  206   2HB   HIS  25          1HB       HIS  25  -5.370   8.254  -5.101
  207    HD1  HIS  25           1HD      HIS  25  -6.504  11.756  -5.860
  208    HD2  HIS  25           2HD      HIS  25  -8.012   8.227  -4.268
  209    HE1  HIS  25           1HE      HIS  25  -8.987  12.110  -5.672
  210    HE2  HIS  25           2HE      HIS  25  -9.880   9.962  -4.704
  211    H    TRP  26           H        TRP  26  -3.186   8.253  -2.277
  212    HA   TRP  26           HA       TRP  26  -0.654   8.784  -3.652
  213   1HB   TRP  26          2HB       TRP  26  -1.130   8.881  -1.049
  214   2HB   TRP  26          1HB       TRP  26  -0.825   7.152  -1.156
  215    HD1  TRP  26           HD       TRP  26   1.684   6.440  -2.071
  216    HE1  TRP  26           1HE      TRP  26   3.938   7.644  -1.746
  217    HE3  TRP  26           3HE      TRP  26  -0.042  11.094  -0.858
  218    HZ2  TRP  26           2HZ      TRP  26   4.854  10.236  -1.066
  219    HZ3  TRP  26           3HZ      TRP  26   1.570  12.871  -0.390
  220    HH2  TRP  26           HH       TRP  26   3.956  12.455  -0.490
  221    HA   PRO  27           HA       PRO  27  -0.776   4.883  -5.816
  222   1HB   PRO  27          2HB       PRO  27   2.177   5.008  -5.492
  223   2HB   PRO  27          1HB       PRO  27   1.215   4.809  -6.960
  224   1HG   PRO  27          2HG       PRO  27   2.429   7.126  -6.390
  225   2HG   PRO  27          1HG       PRO  27   0.849   7.076  -7.190
  226   1HD   PRO  27          2HD       PRO  27   1.527   7.746  -4.367
  227   2HD   PRO  27          1HD       PRO  27   0.238   8.388  -5.403
  228    H    ALA  28           H        ALA  28  -1.332   3.099  -4.733
  229    HA   ALA  28           HA       ALA  28   0.552   2.014  -2.778
  230   1HB   ALA  28          1HB       ALA  28  -1.716   3.429  -2.028
  231   2HB   ALA  28          2HB       ALA  28  -0.716   2.400  -1.002
  232   3HB   ALA  28          3HB       ALA  28  -2.140   1.733  -1.799
  233    H    ARG  29           H        ARG  29  -0.321  -0.149  -1.926
  234    HA   ARG  29           HA       ARG  29  -1.812  -1.645  -3.944
  235   1HB   ARG  29          2HB       ARG  29   0.675  -1.782  -4.429
  236   2HB   ARG  29          1HB       ARG  29   0.841  -2.636  -2.901
  237   1HG   ARG  29          2HG       ARG  29  -0.971  -4.215  -3.892
  238   2HG   ARG  29          1HG       ARG  29  -0.462  -3.524  -5.433
  239   1HD   ARG  29          2HD       ARG  29   0.851  -5.448  -5.168
  240   2HD   ARG  29          1HD       ARG  29   1.910  -4.112  -4.722
  241    HE   ARG  29           HE       ARG  29   0.921  -4.822  -2.346
  242   1HH1  ARG  29          1HH1      ARG  29   2.272  -6.745  -4.928
  243   2HH1  ARG  29          2HH1      ARG  29   2.861  -7.979  -3.866
  244   1HH2  ARG  29          1HH2      ARG  29   1.699  -6.443  -0.951
  245   2HH2  ARG  29          2HH2      ARG  29   2.536  -7.808  -1.611
  246    H    ILE  30           H        ILE  30  -2.595  -3.720  -3.144
  247    HA   ILE  30           HA       ILE  30  -3.298  -3.593  -0.348
  248    HB   ILE  30           HB       ILE  30  -3.843  -5.833  -2.305
  249   1HG1  ILE  30          2HG1      ILE  30  -4.718  -3.683  -3.136
  250   2HG1  ILE  30          1HG1      ILE  30  -6.017  -4.779  -2.681
  251   1HG2  ILE  30          1HG2      ILE  30  -4.136  -5.868   0.384
  252   2HG2  ILE  30          2HG2      ILE  30  -5.134  -6.797  -0.735
  253   3HG2  ILE  30          3HG2      ILE  30  -5.712  -5.251  -0.112
  254   1HD1  ILE  30          1HD1      ILE  30  -6.401  -3.574  -0.653
  255   2HD1  ILE  30          2HD1      ILE  30  -6.380  -2.430  -1.994
  256   3HD1  ILE  30          3HD1      ILE  30  -4.981  -2.567  -0.929
  257    H    ASP  31           H        ASP  31  -2.424  -4.772   1.309
  258    HA   ASP  31           HA       ASP  31  -0.359  -6.735   0.596
  259   1HB   ASP  31          2HB       ASP  31  -0.049  -4.275   2.011
  260   2HB   ASP  31          1HB       ASP  31   0.285  -5.601   3.120
  261    H    GLU  32           H        GLU  32  -3.114  -6.015   2.551
  262    HA   GLU  32           HA       GLU  32  -3.216  -8.720   3.476
  263   1HB   GLU  32          2HB       GLU  32  -2.068  -6.679   5.190
  264   2HB   GLU  32          1HB       GLU  32  -3.487  -7.412   5.923
  265   1HG   GLU  32          2HG       GLU  32  -1.770  -9.416   4.766
  266   2HG   GLU  32          1HG       GLU  32  -0.888  -8.402   5.908
  267    H    MET  33           H        MET  33  -5.205  -9.229   4.553
  268    HA   MET  33           HA       MET  33  -7.244  -7.177   4.694
  269   1HB   MET  33          2HB       MET  33  -8.747  -8.740   3.228
  270   2HB   MET  33          1HB       MET  33  -7.673  -7.575   2.473
  271   1HG   MET  33          2HG       MET  33  -5.997  -9.396   2.204
  272   2HG   MET  33          1HG       MET  33  -7.213 -10.527   2.797
  273   1HE   MET  33          1HE       MET  33  -8.139  -7.969  -0.912
  274   2HE   MET  33          2HE       MET  33  -6.865  -7.564   0.235
  275   3HE   MET  33          3HE       MET  33  -8.553  -7.527   0.741
  276    HA   PRO  34           HA       PRO  34  -9.199  -9.545   7.838
  277   1HB   PRO  34          2HB       PRO  34 -11.630  -9.829   6.137
  278   2HB   PRO  34          1HB       PRO  34 -11.478  -9.215   7.788
  279   1HG   PRO  34          2HG       PRO  34 -11.850  -7.535   5.763
  280   2HG   PRO  34          1HG       PRO  34 -10.734  -7.124   7.078
  281   1HD   PRO  34          2HD       PRO  34 -10.134  -8.079   4.315
  282   2HD   PRO  34          1HD       PRO  34  -9.278  -6.881   5.305
  283    H    GLU  35           H        GLU  35  -8.358 -11.518   8.100
  284    HA   GLU  35           HA       GLU  35  -8.569 -13.552   6.091
  285   1HB   GLU  35          2HB       GLU  35  -6.976 -13.078   8.414
  286   2HB   GLU  35          1HB       GLU  35  -7.688 -14.682   8.532
  287   1HG   GLU  35          2HG       GLU  35  -6.488 -15.495   6.801
  288   2HG   GLU  35          1HG       GLU  35  -6.491 -13.960   5.933
  289    H    ALA  36           H        ALA  36  -9.248 -13.955   9.516
  290    HA   ALA  36           HA       ALA  36 -11.996 -14.585   9.217
  291   1HB   ALA  36          1HB       ALA  36 -12.052 -16.875   9.217
  292   2HB   ALA  36          2HB       ALA  36 -10.464 -17.022   9.970
  293   3HB   ALA  36          3HB       ALA  36 -10.593 -16.614   8.259
  294    H    ALA  37           H        ALA  37  -9.015 -14.973  11.010
  295    HA   ALA  37           HA       ALA  37 -10.312 -14.009  13.412
  296   1HB   ALA  37          1HB       ALA  37 -10.162 -16.688  13.172
  297   2HB   ALA  37          2HB       ALA  37 -10.068 -15.842  14.717
  298   3HB   ALA  37          3HB       ALA  37  -8.591 -16.353  13.901
  299    H    VAL  38           H        VAL  38  -9.054 -12.184  13.304
  300    HA   VAL  38           HA       VAL  38  -6.265 -12.528  14.076
  301    HB   VAL  38           HB       VAL  38  -5.590 -10.745  12.390
  302   1HG1  VAL  38          1HG1      VAL  38  -6.281 -12.989  10.678
  303   2HG1  VAL  38          2HG1      VAL  38  -5.631 -13.504  12.234
  304   3HG1  VAL  38          3HG1      VAL  38  -4.700 -12.414  11.208
  305   1HG2  VAL  38          1HG2      VAL  38  -8.390 -11.079  11.684
  306   2HG2  VAL  38          2HG2      VAL  38  -7.320 -11.298  10.300
  307   3HG2  VAL  38          3HG2      VAL  38  -7.256  -9.804  11.237
  308    H    LYS  39           H        LYS  39  -8.905 -10.261  13.380
  309    HA   LYS  39           HA       LYS  39  -9.746  -8.559  14.648
  310   1HB   LYS  39          2HB       LYS  39  -7.428  -8.850  16.552
  311   2HB   LYS  39          1HB       LYS  39  -8.987  -8.098  16.853
  312   1HG   LYS  39          2HG       LYS  39  -9.022 -10.951  16.087
  313   2HG   LYS  39          1HG       LYS  39  -8.372 -10.557  17.680
  314   1HD   LYS  39          2HD       LYS  39 -10.680  -9.020  17.474
  315   2HD   LYS  39          1HD       LYS  39 -11.117 -10.568  16.747
  316   1HE   LYS  39          2HE       LYS  39 -11.610 -10.650  19.096
  317   2HE   LYS  39          1HE       LYS  39 -10.238 -11.707  18.768
  318   1HZ   LYS  39          1HZ       LYS  39 -10.318  -9.157  20.212
  319   2HZ   LYS  39          2HZ       LYS  39  -8.903  -9.563  19.381
  320   3HZ   LYS  39          3HZ       LYS  39  -9.493 -10.584  20.592
  321    H    SER  40           H        SER  40  -6.185  -8.508  14.432
  322    HA   SER  40           HA       SER  40  -5.714  -5.814  14.510
  323   1HB   SER  40          2HB       SER  40  -3.837  -6.365  12.793
  324   2HB   SER  40          1HB       SER  40  -3.797  -7.141  14.376
  325    HG   SER  40           HG       SER  40  -3.488  -8.549  12.498
  326    H    THR  41           H        THR  41  -7.239  -7.631  11.974
  327    HA   THR  41           HA       THR  41  -7.923  -5.157  10.612
  328    HB   THR  41           HB       THR  41  -5.882  -5.790   9.463
  329    HG1  THR  41           1HG      THR  41  -6.770  -6.078   7.362
  330   1HG2  THR  41          1HG2      THR  41  -5.587  -8.080   9.837
  331   2HG2  THR  41          2HG2      THR  41  -5.896  -7.930   8.108
  332   3HG2  THR  41          3HG2      THR  41  -7.177  -8.478   9.189
  333    H    ALA  42           H        ALA  42  -9.900  -5.224   9.682
  334    HA   ALA  42           HA       ALA  42 -11.200  -7.633   8.890
  335   1HB   ALA  42          1HB       ALA  42 -12.975  -7.663  10.548
  336   2HB   ALA  42          2HB       ALA  42 -12.228  -6.311  11.398
  337   3HB   ALA  42          3HB       ALA  42 -11.405  -7.870  11.326
  338    H    ASN  43           H        ASN  43 -12.147  -4.494  10.288
  339    HA   ASN  43           HA       ASN  43 -14.023  -4.049   8.129
  340   1HB   ASN  43          2HB       ASN  43 -13.293  -2.190  10.392
  341   2HB   ASN  43          1HB       ASN  43 -14.715  -2.093   9.358
  342   1HD2  ASN  43          1HD2      ASN  43 -13.147  -3.892  11.909
  343   2HD2  ASN  43          2HD2      ASN  43 -14.566  -4.693  12.482
  344    H    LYS  44           H        LYS  44 -10.768  -3.600   8.515
  345    HA   LYS  44           HA       LYS  44 -10.738  -1.581   6.398
  346   1HB   LYS  44          2HB       LYS  44  -8.660  -1.300   8.494
  347   2HB   LYS  44          1HB       LYS  44  -9.455  -0.068   7.524
  348   1HG   LYS  44          2HG       LYS  44 -11.182   0.178   8.993
  349   2HG   LYS  44          1HG       LYS  44 -11.082  -1.488   9.569
  350   1HD   LYS  44          2HD       LYS  44  -8.658  -0.079  10.205
  351   2HD   LYS  44          1HD       LYS  44 -10.054   0.828  10.793
  352   1HE   LYS  44          2HE       LYS  44 -10.196  -2.054  11.293
  353   2HE   LYS  44          1HE       LYS  44  -8.853  -1.248  12.104
  354   1HZ   LYS  44          1HZ       LYS  44 -10.596   0.419  12.862
  355   2HZ   LYS  44          2HZ       LYS  44 -10.623  -1.107  13.591
  356   3HZ   LYS  44          3HZ       LYS  44 -11.749  -0.727  12.388
  357    H    TYR  45           H        TYR  45  -8.999  -1.683   5.005
  358    HA   TYR  45           HA       TYR  45  -7.522  -4.213   5.058
  359   1HB   TYR  45          2HB       TYR  45  -7.815  -2.116   2.890
  360   2HB   TYR  45          1HB       TYR  45  -6.938  -3.633   2.716
  361    HD1  TYR  45           1HD      TYR  45 -10.278  -2.128   3.126
  362    HD2  TYR  45           2HD      TYR  45  -8.091  -5.691   2.350
  363    HE1  TYR  45           1HE      TYR  45 -12.358  -3.249   2.444
  364    HE2  TYR  45           2HE      TYR  45 -10.165  -6.823   1.665
  365    HH   TYR  45           HH       TYR  45 -13.002  -5.200   0.975
  366    H    GLN  46           H        GLN  46  -5.225  -4.228   4.527
  367    HA   GLN  46           HA       GLN  46  -3.827  -1.950   5.738
  368   1HB   GLN  46          2HB       GLN  46  -3.545  -4.670   6.139
  369   2HB   GLN  46          1HB       GLN  46  -2.219  -4.303   5.044
  370   1HG   GLN  46          2HG       GLN  46  -1.380  -2.627   6.573
  371   2HG   GLN  46          1HG       GLN  46  -2.748  -2.896   7.652
  372   1HE2  GLN  46          1HE2      GLN  46   0.043  -3.134   8.271
  373   2HE2  GLN  46          2HE2      GLN  46   0.317  -4.769   8.755
  374    H    VAL  47           H        VAL  47  -3.239  -0.475   4.300
  375    HA   VAL  47           HA       VAL  47  -2.453  -1.329   1.612
  376    HB   VAL  47           HB       VAL  47  -3.206   1.420   2.612
  377   1HG1  VAL  47          1HG1      VAL  47  -2.113   2.108   0.785
  378   2HG1  VAL  47          2HG1      VAL  47  -3.482   1.442  -0.109
  379   3HG1  VAL  47          3HG1      VAL  47  -2.022   0.478   0.116
  380   1HG2  VAL  47          1HG2      VAL  47  -5.037  -0.299   2.555
  381   2HG2  VAL  47          2HG2      VAL  47  -4.790  -0.399   0.811
  382   3HG2  VAL  47          3HG2      VAL  47  -5.307   1.120   1.544
  383    H    PHE  48           H        PHE  48  -0.567  -0.761   0.679
  384    HA   PHE  48           HA       PHE  48   1.525   0.301   2.462
  385   1HB   PHE  48          2HB       PHE  48   1.852  -2.007   1.555
  386   2HB   PHE  48          1HB       PHE  48   1.859  -1.328  -0.069
  387    HD1  PHE  48           1HD      PHE  48   3.486  -0.372   3.152
  388    HD2  PHE  48           2HD      PHE  48   3.964  -1.332  -0.967
  389    HE1  PHE  48           1HE      PHE  48   5.903   0.050   3.339
  390    HE2  PHE  48           2HE      PHE  48   6.382  -0.912  -0.788
  391    HZ   PHE  48           HZ       PHE  48   7.355  -0.220   1.367
  392    H    PHE  49           H        PHE  49   2.256   2.276   2.043
  393    HA   PHE  49           HA       PHE  49   1.546   3.568  -0.483
  394   1HB   PHE  49          2HB       PHE  49   2.657   4.721   2.086
  395   2HB   PHE  49          1HB       PHE  49   2.211   5.661   0.664
  396    HD1  PHE  49           1HD      PHE  49  -0.225   5.415  -0.162
  397    HD2  PHE  49           2HD      PHE  49   1.083   4.295   3.728
  398    HE1  PHE  49           1HE      PHE  49  -2.544   5.531   0.645
  399    HE2  PHE  49           2HE      PHE  49  -1.235   4.408   4.540
  400    HZ   PHE  49           HZ       PHE  49  -3.053   5.024   3.000
  401    H    PHE  50           H        PHE  50   3.000   3.383  -2.078
  402    HA   PHE  50           HA       PHE  50   5.680   2.631  -1.752
  403   1HB   PHE  50          2HB       PHE  50   4.233   3.949  -4.054
  404   2HB   PHE  50          1HB       PHE  50   5.921   3.460  -4.145
  405    HD1  PHE  50           1HD      PHE  50   6.368   0.961  -3.413
  406    HD2  PHE  50           2HD      PHE  50   2.638   2.476  -4.797
  407    HE1  PHE  50           1HE      PHE  50   5.681  -1.315  -4.040
  408    HE2  PHE  50           2HE      PHE  50   1.944   0.199  -5.422
  409    HZ   PHE  50           HZ       PHE  50   3.466  -1.699  -5.044
  410    H    GLY  51           H        GLY  51   7.447   4.120  -2.923
  411   1HA   GLY  51          2HA       GLY  51   8.749   6.016  -2.817
  412   2HA   GLY  51          1HA       GLY  51   7.293   6.920  -2.434
  413    H    THR  52           H        THR  52   6.445   6.339  -0.126
  414    HA   THR  52           HA       THR  52   8.653   6.882   1.702
  415    HB   THR  52           HB       THR  52   6.851   7.415   3.320
  416    HG1  THR  52           1HG      THR  52   5.337   5.914   2.115
  417   1HG2  THR  52          1HG2      THR  52   6.354   9.466   2.486
  418   2HG2  THR  52          2HG2      THR  52   6.013   8.848   0.868
  419   3HG2  THR  52          3HG2      THR  52   7.681   9.023   1.412
  420    H    HIS  53           H        HIS  53   6.491   4.360   0.806
  421    HA   HIS  53           HA       HIS  53   6.270   2.192   1.470
  422   1HB   HIS  53          2HB       HIS  53   8.888   2.842   2.827
  423   2HB   HIS  53          1HB       HIS  53   8.152   1.247   2.905
  424    HD1  HIS  53           1HD      HIS  53  10.900   1.657   1.587
  425    HD2  HIS  53           2HD      HIS  53   7.294   1.673  -0.475
  426    HE1  HIS  53           1HE      HIS  53  11.484   1.079  -0.789
  427    HE2  HIS  53           2HE      HIS  53   9.299   1.192  -2.038
  428    H    GLU  54           H        GLU  54   4.889   4.207   2.857
  429    HA   GLU  54           HA       GLU  54   4.995   3.463   5.677
  430   1HB   GLU  54          2HB       GLU  54   3.202   5.468   4.298
  431   2HB   GLU  54          1HB       GLU  54   3.428   5.286   6.032
  432   1HG   GLU  54          2HG       GLU  54   5.704   6.025   5.872
  433   2HG   GLU  54          1HG       GLU  54   5.617   6.048   4.111
  434    H    THR  55           H        THR  55   3.103   2.734   6.829
  435    HA   THR  55           HA       THR  55   1.158   1.381   5.090
  436    HB   THR  55           HB       THR  55   1.144  -0.192   7.298
  437    HG1  THR  55           1HG      THR  55   3.838   0.611   6.936
  438   1HG2  THR  55          1HG2      THR  55   1.421  -0.909   4.922
  439   2HG2  THR  55          2HG2      THR  55   2.368  -1.824   6.096
  440   3HG2  THR  55          3HG2      THR  55   3.147  -0.596   5.098
  441    H    ALA  56           H        ALA  56  -0.928   1.369   5.660
  442    HA   ALA  56           HA       ALA  56  -1.791   2.394   8.227
  443   1HB   ALA  56          1HB       ALA  56  -1.280   4.305   6.460
  444   2HB   ALA  56          2HB       ALA  56  -2.620   4.414   7.605
  445   3HB   ALA  56          3HB       ALA  56  -2.918   3.905   5.942
  446    H    PHE  57           H        PHE  57  -4.233   2.464   8.350
  447    HA   PHE  57           HA       PHE  57  -5.325   0.238   6.770
  448   1HB   PHE  57          2HB       PHE  57  -6.022   1.255   9.529
  449   2HB   PHE  57          1HB       PHE  57  -6.995   0.069   8.664
  450    HD1  PHE  57           1HD      PHE  57  -6.457  -2.195   8.743
  451    HD2  PHE  57           2HD      PHE  57  -3.590   0.689   9.993
  452    HE1  PHE  57           1HE      PHE  57  -5.018  -4.000   9.595
  453    HE2  PHE  57           2HE      PHE  57  -2.145  -1.110  10.847
  454    HZ   PHE  57           HZ       PHE  57  -2.859  -3.458  10.648
  455    H    LEU  58           H        LEU  58  -6.890   0.662   5.355
  456    HA   LEU  58           HA       LEU  58  -8.632   2.970   5.805
  457   1HB   LEU  58          2HB       LEU  58  -7.045   2.431   3.302
  458   2HB   LEU  58          1HB       LEU  58  -8.427   3.508   3.343
  459    HG   LEU  58           HG       LEU  58  -6.166   3.971   5.242
  460   1HD1  LEU  58          1HD1      LEU  58  -5.088   3.682   3.075
  461   2HD1  LEU  58          2HD1      LEU  58  -5.051   5.371   3.581
  462   3HD1  LEU  58          3HD1      LEU  58  -6.205   4.844   2.357
  463   1HD2  LEU  58          1HD2      LEU  58  -7.574   6.133   3.805
  464   2HD2  LEU  58          2HD2      LEU  58  -7.074   6.027   5.493
  465   3HD2  LEU  58          3HD2      LEU  58  -8.532   5.195   4.950
  466    H    GLY  59           H        GLY  59 -10.563   2.947   4.398
  467   1HA   GLY  59          2HA       GLY  59 -11.521   0.201   4.122
  468   2HA   GLY  59          1HA       GLY  59 -12.512   1.652   4.123
  469    HA   PRO  60           HA       PRO  60 -11.670   0.021  -0.269
  470   1HB   PRO  60          2HB       PRO  60 -14.230  -0.711  -0.860
  471   2HB   PRO  60          1HB       PRO  60 -13.033  -1.821  -0.186
  472   1HG   PRO  60          2HG       PRO  60 -15.223  -0.327   1.200
  473   2HG   PRO  60          1HG       PRO  60 -14.694  -2.003   1.427
  474   1HD   PRO  60          2HD       PRO  60 -13.977  -0.018   3.116
  475   2HD   PRO  60          1HD       PRO  60 -12.912  -1.393   2.760
  476    H    LYS  61           H        LYS  61 -13.923   2.128   1.325
  477    HA   LYS  61           HA       LYS  61 -15.004   3.388  -0.972
  478   1HB   LYS  61          2HB       LYS  61 -15.570   5.233   0.653
  479   2HB   LYS  61          1HB       LYS  61 -16.178   3.640   1.084
  480   1HG   LYS  61          2HG       LYS  61 -15.121   3.700   3.027
  481   2HG   LYS  61          1HG       LYS  61 -13.581   4.035   2.233
  482   1HD   LYS  61          2HD       LYS  61 -13.794   6.311   2.478
  483   2HD   LYS  61          1HD       LYS  61 -15.557   6.246   2.530
  484   1HE   LYS  61          2HE       LYS  61 -14.972   4.855   4.758
  485   2HE   LYS  61          1HE       LYS  61 -13.578   5.934   4.698
  486   1HZ   LYS  61          1HZ       LYS  61 -16.404   6.838   4.575
  487   2HZ   LYS  61          2HZ       LYS  61 -15.031   7.821   4.677
  488   3HZ   LYS  61          3HZ       LYS  61 -15.462   6.833   5.980
  489    H    ASP  62           H        ASP  62 -12.058   3.750   0.824
  490    HA   ASP  62           HA       ASP  62 -11.367   6.191  -0.647
  491   1HB   ASP  62          2HB       ASP  62 -10.385   4.914   1.867
  492   2HB   ASP  62          1HB       ASP  62  -9.261   5.911   0.948
  493    H    LEU  63           H        LEU  63 -11.361   3.198  -1.525
  494    HA   LEU  63           HA       LEU  63  -8.598   3.148  -2.534
  495   1HB   LEU  63          2HB       LEU  63 -10.492   1.045  -1.654
  496   2HB   LEU  63          1HB       LEU  63  -9.504   0.660  -3.050
  497    HG   LEU  63           HG       LEU  63  -7.495   0.853  -1.811
  498   1HD1  LEU  63          1HD1      LEU  63  -7.768   1.437   0.726
  499   2HD1  LEU  63          2HD1      LEU  63  -9.199   2.294   0.158
  500   3HD1  LEU  63          3HD1      LEU  63  -7.610   2.714  -0.479
  501   1HD2  LEU  63          1HD2      LEU  63  -8.159  -1.243  -1.281
  502   2HD2  LEU  63          2HD2      LEU  63  -9.698  -0.705  -0.608
  503   3HD2  LEU  63          3HD2      LEU  63  -8.219  -0.552   0.341
  504    H    PHE  64           H        PHE  64  -8.237   3.088  -4.702
  505    HA   PHE  64           HA       PHE  64 -10.537   2.770  -6.498
  506   1HB   PHE  64          2HB       PHE  64  -8.492   4.975  -6.826
  507   2HB   PHE  64          1HB       PHE  64  -9.953   4.724  -7.776
  508    HD1  PHE  64           1HD      PHE  64 -11.790   6.009  -7.288
  509    HD2  PHE  64           2HD      PHE  64  -8.926   5.267  -4.229
  510    HE1  PHE  64           1HE      PHE  64 -13.036   7.488  -5.768
  511    HE2  PHE  64           2HE      PHE  64 -10.166   6.745  -2.703
  512    HZ   PHE  64           HZ       PHE  64 -12.225   7.858  -3.471
  513    HA   PRO  65           HA       PRO  65  -7.789   0.300  -8.914
  514   1HB   PRO  65          2HB       PRO  65  -8.971   1.344 -11.383
  515   2HB   PRO  65          1HB       PRO  65  -9.059  -0.281 -10.707
  516   1HG   PRO  65          2HG       PRO  65 -11.194   1.359 -10.770
  517   2HG   PRO  65          1HG       PRO  65 -10.933   0.198  -9.454
  518   1HD   PRO  65          2HD       PRO  65 -10.408   3.149  -9.512
  519   2HD   PRO  65          1HD       PRO  65 -11.117   2.155  -8.220
  520    H    TYR  66           H        TYR  66  -5.714   0.925  -8.985
  521    HA   TYR  66           HA       TYR  66  -4.691   3.406  -9.611
  522   1HB   TYR  66          2HB       TYR  66  -3.375   1.678  -8.502
  523   2HB   TYR  66          1HB       TYR  66  -3.362   0.712  -9.975
  524    HD1  TYR  66           1HD      TYR  66  -1.861   1.218 -11.773
  525    HD2  TYR  66           2HD      TYR  66  -2.079   3.776  -8.382
  526    HE1  TYR  66           1HE      TYR  66   0.181   2.365 -12.516
  527    HE2  TYR  66           2HE      TYR  66  -0.035   4.929  -9.114
  528    HH   TYR  66           HH       TYR  66   1.939   3.728 -11.675
  529    H    GLU  67           H        GLU  67  -4.668   0.583 -11.796
  530    HA   GLU  67           HA       GLU  67  -3.610   1.773 -14.037
  531   1HB   GLU  67          2HB       GLU  67  -5.613  -0.437 -13.708
  532   2HB   GLU  67          1HB       GLU  67  -5.124   0.094 -15.312
  533   1HG   GLU  67          2HG       GLU  67  -2.734  -0.241 -13.959
  534   2HG   GLU  67          1HG       GLU  67  -3.736  -1.584 -13.408
  535    H    GLU  68           H        GLU  68  -6.981   1.780 -13.011
  536    HA   GLU  68           HA       GLU  68  -7.963   3.113 -15.308
  537   1HB   GLU  68          2HB       GLU  68  -9.069   1.855 -13.066
  538   2HB   GLU  68          1HB       GLU  68  -9.647   3.513 -13.005
  539   1HG   GLU  68          2HG       GLU  68  -9.826   2.443 -15.677
  540   2HG   GLU  68          1HG       GLU  68 -10.670   1.416 -14.518
  541    H    SER  69           H        SER  69  -6.917   4.272 -12.128
  542    HA   SER  69           HA       SER  69  -7.499   7.013 -13.040
  543   1HB   SER  69          2HB       SER  69  -7.001   7.478 -10.501
  544   2HB   SER  69          1HB       SER  69  -8.563   6.827 -10.999
  545    HG   SER  69           HG       SER  69  -6.398   5.173 -10.234
  546    H    LYS  70           H        LYS  70  -5.000   5.093 -13.359
  547    HA   LYS  70           HA       LYS  70  -2.826   6.258 -12.081
  548   1HB   LYS  70          2HB       LYS  70  -1.452   5.296 -13.865
  549   2HB   LYS  70          1HB       LYS  70  -2.670   4.156 -13.311
  550   1HG   LYS  70          2HG       LYS  70  -4.076   4.939 -15.279
  551   2HG   LYS  70          1HG       LYS  70  -2.608   5.717 -15.872
  552   1HD   LYS  70          2HD       LYS  70  -2.188   2.948 -15.056
  553   2HD   LYS  70          1HD       LYS  70  -3.370   3.113 -16.357
  554   1HE   LYS  70          2HE       LYS  70  -1.320   4.828 -17.087
  555   2HE   LYS  70          1HE       LYS  70  -0.485   3.431 -16.410
  556   1HZ   LYS  70          1HZ       LYS  70  -0.755   2.600 -18.456
  557   2HZ   LYS  70          2HZ       LYS  70  -2.011   3.660 -18.852
  558   3HZ   LYS  70          3HZ       LYS  70  -2.336   2.264 -17.956
  559    H    GLU  71           H        GLU  71  -4.282   7.099 -15.201
  560    HA   GLU  71           HA       GLU  71  -2.431   9.167 -15.798
  561   1HB   GLU  71          2HB       GLU  71  -5.224   8.750 -16.871
  562   2HB   GLU  71          1HB       GLU  71  -3.988   9.780 -17.581
  563   1HG   GLU  71          2HG       GLU  71  -3.729   6.803 -17.235
  564   2HG   GLU  71          1HG       GLU  71  -4.262   7.598 -18.716
  565    H    LYS  72           H        LYS  72  -5.316   9.061 -13.871
  566    HA   LYS  72           HA       LYS  72  -5.709  11.925 -13.921
  567   1HB   LYS  72          2HB       LYS  72  -7.007   9.907 -12.091
  568   2HB   LYS  72          1HB       LYS  72  -7.570  11.532 -12.453
  569   1HG   LYS  72          2HG       LYS  72  -8.400  10.942 -14.493
  570   2HG   LYS  72          1HG       LYS  72  -7.253   9.617 -14.700
  571   1HD   LYS  72          2HD       LYS  72  -9.141   8.407 -14.276
  572   2HD   LYS  72          1HD       LYS  72  -8.575   8.640 -12.621
  573   1HE   LYS  72          2HE       LYS  72 -10.031  10.716 -12.569
  574   2HE   LYS  72          1HE       LYS  72 -10.742  10.137 -14.073
  575   1HZ   LYS  72          1HZ       LYS  72 -12.087   8.877 -12.873
  576   2HZ   LYS  72          2HZ       LYS  72 -11.338   9.358 -11.435
  577   3HZ   LYS  72          3HZ       LYS  72 -10.761   8.010 -12.278
  578    H    PHE  73           H        PHE  73  -4.624   9.525 -11.529
  579    HA   PHE  73           HA       PHE  73  -3.854  11.723  -9.743
  580   1HB   PHE  73          2HB       PHE  73  -3.780   8.795  -9.055
  581   2HB   PHE  73          1HB       PHE  73  -3.871  10.173  -7.966
  582    HD1  PHE  73           1HD      PHE  73  -5.647   7.767  -7.855
  583    HD2  PHE  73           2HD      PHE  73  -6.088  11.486  -9.882
  584    HE1  PHE  73           1HE      PHE  73  -8.093   7.526  -7.761
  585    HE2  PHE  73           2HE      PHE  73  -8.533  11.250  -9.787
  586    HZ   PHE  73           HZ       PHE  73  -9.539   9.270  -8.726
  587    H    GLY  74           H        GLY  74  -2.411   9.657 -12.012
  588   1HA   GLY  74          2HA       GLY  74   0.095   9.338 -10.629
  589   2HA   GLY  74          1HA       GLY  74  -0.239   8.908 -12.298
  590    H    LYS  75           H        LYS  75   0.332  11.723 -10.186
  591    HA   LYS  75           HA       LYS  75   2.088  12.837 -12.199
  592   1HB   LYS  75          2HB       LYS  75  -0.444  14.212 -11.308
  593   2HB   LYS  75          1HB       LYS  75   0.906  15.080 -12.028
  594   1HG   LYS  75          2HG       LYS  75   0.691  13.506 -13.998
  595   2HG   LYS  75          1HG       LYS  75  -0.841  12.991 -13.291
  596   1HD   LYS  75          2HD       LYS  75  -1.852  15.029 -13.661
  597   2HD   LYS  75          1HD       LYS  75  -0.319  15.903 -13.683
  598   1HE   LYS  75          2HE       LYS  75  -0.644  13.898 -15.808
  599   2HE   LYS  75          1HE       LYS  75  -1.760  15.261 -15.892
  600   1HZ   LYS  75          1HZ       LYS  75   0.610  16.459 -15.398
  601   2HZ   LYS  75          2HZ       LYS  75  -0.086  16.283 -16.929
  602   3HZ   LYS  75          3HZ       LYS  75   1.073  15.173 -16.397
  603    HA   PRO  76           HA       PRO  76   4.600  14.245  -8.872
  604   1HB   PRO  76          2HB       PRO  76   4.291  16.978 -10.050
  605   2HB   PRO  76          1HB       PRO  76   5.758  16.138  -9.528
  606   1HG   PRO  76          2HG       PRO  76   5.170  16.294 -12.105
  607   2HG   PRO  76          1HG       PRO  76   5.817  14.791 -11.422
  608   1HD   PRO  76          2HD       PRO  76   3.031  15.448 -12.260
  609   2HD   PRO  76          1HD       PRO  76   3.903  13.904 -12.347
  610    H    ASN  77           H        ASN  77   4.278  14.892  -6.833
  611    HA   ASN  77           HA       ASN  77   1.826  16.431  -6.264
  612   1HB   ASN  77          2HB       ASN  77   1.889  14.069  -5.434
  613   2HB   ASN  77          1HB       ASN  77   3.254  14.514  -4.417
  614   1HD2  ASN  77          1HD2      ASN  77   0.229  16.196  -5.182
  615   2HD2  ASN  77          2HD2      ASN  77  -0.287  16.363  -3.542
  616    H    LYS  78           H        LYS  78   1.875  17.740  -4.272
  617    HA   LYS  78           HA       LYS  78   4.333  19.278  -4.169
  618   1HB   LYS  78          2HB       LYS  78   1.564  19.851  -3.868
  619   2HB   LYS  78          1HB       LYS  78   2.354  20.260  -2.351
  620   1HG   LYS  78          2HG       LYS  78   2.298  22.194  -3.770
  621   2HG   LYS  78          1HG       LYS  78   3.967  21.647  -3.602
  622   1HD   LYS  78          2HD       LYS  78   4.029  21.799  -5.840
  623   2HD   LYS  78          1HD       LYS  78   3.148  20.269  -5.811
  624   1HE   LYS  78          2HE       LYS  78   1.440  21.243  -6.840
  625   2HE   LYS  78          1HE       LYS  78   1.257  22.352  -5.481
  626   1HZ   LYS  78          1HZ       LYS  78   3.336  23.414  -6.830
  627   2HZ   LYS  78          2HZ       LYS  78   1.728  23.914  -6.984
  628   3HZ   LYS  78          3HZ       LYS  78   2.381  22.815  -8.092
  629    H    ARG  79           H        ARG  79   2.710  16.861  -2.339
  630    HA   ARG  79           HA       ARG  79   3.771  17.488   0.222
  631   1HB   ARG  79          2HB       ARG  79   2.858  14.809  -0.837
  632   2HB   ARG  79          1HB       ARG  79   3.077  15.236   0.853
  633   1HG   ARG  79          2HG       ARG  79   1.133  16.664  -0.932
  634   2HG   ARG  79          1HG       ARG  79   0.709  15.222  -0.008
  635   1HD   ARG  79          2HD       ARG  79   0.081  16.853   1.472
  636   2HD   ARG  79          1HD       ARG  79   1.746  16.583   1.981
  637    HE   ARG  79           HE       ARG  79   2.346  18.644   1.072
  638   1HH1  ARG  79          1HH1      ARG  79  -1.029  17.954   0.477
  639   2HH1  ARG  79          2HH1      ARG  79  -1.410  19.586   0.044
  640   1HH2  ARG  79          1HH2      ARG  79   1.841  20.784   0.497
  641   2HH2  ARG  79          2HH2      ARG  79   0.216  21.191   0.054
  642    H    LYS  80           H        LYS  80   5.149  16.290  -2.596
  643    HA   LYS  80           HA       LYS  80   7.201  15.514  -3.126
  644   1HB   LYS  80          2HB       LYS  80   7.846  16.265  -0.270
  645   2HB   LYS  80          1HB       LYS  80   9.036  15.792  -1.474
  646   1HG   LYS  80          2HG       LYS  80   7.310  18.250  -1.443
  647   2HG   LYS  80          1HG       LYS  80   9.070  18.149  -1.386
  648   1HD   LYS  80          2HD       LYS  80   7.391  17.262  -3.738
  649   2HD   LYS  80          1HD       LYS  80   8.160  18.845  -3.604
  650   1HE   LYS  80          2HE       LYS  80  10.028  17.988  -4.441
  651   2HE   LYS  80          1HE       LYS  80  10.146  16.918  -3.045
  652   1HZ   LYS  80          1HZ       LYS  80   8.627  16.313  -5.525
  653   2HZ   LYS  80          2HZ       LYS  80   8.841  15.277  -4.205
  654   3HZ   LYS  80          3HZ       LYS  80  10.167  15.714  -5.160
  655    H    GLY  81           H        GLY  81   8.365  13.598  -3.086
  656   1HA   GLY  81          2HA       GLY  81   8.901  11.434  -2.326
  657   2HA   GLY  81          1HA       GLY  81   7.754  11.642  -1.006
  658    H    PHE  82           H        PHE  82   5.781  12.657  -3.149
  659    HA   PHE  82           HA       PHE  82   4.286  10.320  -3.454
  660   1HB   PHE  82          2HB       PHE  82   3.244  12.485  -3.620
  661   2HB   PHE  82          1HB       PHE  82   4.256  12.926  -4.991
  662    HD1  PHE  82           1HD      PHE  82   1.192  11.436  -3.934
  663    HD2  PHE  82           2HD      PHE  82   3.968  11.640  -7.150
  664    HE1  PHE  82           1HE      PHE  82  -0.525  10.576  -5.468
  665    HE2  PHE  82           2HE      PHE  82   2.255  10.781  -8.691
  666    HZ   PHE  82           HZ       PHE  82   0.006  10.243  -7.847
  667    H    SER  83           H        SER  83   6.271  12.059  -5.847
  668    HA   SER  83           HA       SER  83   5.924  10.386  -8.014
  669   1HB   SER  83          2HB       SER  83   8.670  11.414  -7.668
  670   2HB   SER  83          1HB       SER  83   7.547  11.615  -9.012
  671    HG   SER  83           HG       SER  83   6.458  13.188  -7.779
  672    H    GLU  84           H        GLU  84   8.388  10.144  -5.454
  673    HA   GLU  84           HA       GLU  84   9.866   8.019  -6.375
  674   1HB   GLU  84          2HB       GLU  84   9.015   8.693  -3.558
  675   2HB   GLU  84          1HB       GLU  84  10.176   7.426  -3.929
  676   1HG   GLU  84          2HG       GLU  84  11.671   9.041  -4.927
  677   2HG   GLU  84          1HG       GLU  84  10.490  10.326  -4.672
  678    H    GLY  85           H        GLY  85   6.652   8.016  -4.991
  679   1HA   GLY  85          2HA       GLY  85   6.501   5.177  -4.667
  680   2HA   GLY  85          1HA       GLY  85   5.156   6.307  -4.597
  681    H    LEU  86           H        LEU  86   5.747   7.447  -7.218
  682    HA   LEU  86           HA       LEU  86   4.128   5.801  -8.812
  683   1HB   LEU  86          2HB       LEU  86   6.013   8.039  -9.541
  684   2HB   LEU  86          1HB       LEU  86   4.957   7.260 -10.702
  685    HG   LEU  86           HG       LEU  86   4.040   8.760  -8.248
  686   1HD1  LEU  86          1HD1      LEU  86   4.895   9.713 -10.771
  687   2HD1  LEU  86          2HD1      LEU  86   4.152  10.617  -9.452
  688   3HD1  LEU  86          3HD1      LEU  86   3.142   9.890 -10.701
  689   1HD2  LEU  86          1HD2      LEU  86   2.630   7.170 -10.340
  690   2HD2  LEU  86          2HD2      LEU  86   1.838   8.586  -9.649
  691   3HD2  LEU  86          3HD2      LEU  86   2.339   7.258  -8.602
  692    H    TRP  87           H        TRP  87   7.635   6.233  -8.699
  693    HA   TRP  87           HA       TRP  87   8.270   4.540 -10.867
  694   1HB   TRP  87          2HB       TRP  87   9.887   6.131  -9.982
  695   2HB   TRP  87          1HB       TRP  87   9.898   5.305  -8.427
  696    HD1  TRP  87           HD       TRP  87  11.403   5.165 -11.892
  697    HE1  TRP  87           1HE      TRP  87  13.159   3.288 -11.985
  698    HE3  TRP  87           3HE      TRP  87  10.446   2.937  -7.392
  699    HZ2  TRP  87           2HZ      TRP  87  14.021   1.140 -10.365
  700    HZ3  TRP  87           3HZ      TRP  87  11.781   0.976  -6.739
  701    HH2  TRP  87           HH       TRP  87  13.529   0.097  -8.195
  702    H    GLU  88           H        GLU  88   7.977   3.919  -7.375
  703    HA   GLU  88           HA       GLU  88   8.861   1.250  -7.432
  704   1HB   GLU  88          2HB       GLU  88   7.223   2.877  -5.525
  705   2HB   GLU  88          1HB       GLU  88   7.374   1.143  -5.278
  706   1HG   GLU  88          2HG       GLU  88   9.725   2.997  -5.549
  707   2HG   GLU  88          1HG       GLU  88   8.999   2.547  -4.007
  708    H    ILE  89           H        ILE  89   5.521   2.535  -7.417
  709    HA   ILE  89           HA       ILE  89   4.156   0.148  -7.455
  710    HB   ILE  89           HB       ILE  89   3.150   2.415  -7.245
  711   1HG1  ILE  89          2HG1      ILE  89   1.419   1.399  -9.315
  712   2HG1  ILE  89          1HG1      ILE  89   2.067   0.072  -8.352
  713   1HG2  ILE  89          1HG2      ILE  89   3.503   3.915  -8.829
  714   2HG2  ILE  89          2HG2      ILE  89   2.445   2.984  -9.888
  715   3HG2  ILE  89          3HG2      ILE  89   4.184   2.697  -9.905
  716   1HD1  ILE  89          1HD1      ILE  89   0.069   2.047  -7.679
  717   2HD1  ILE  89          2HD1      ILE  89   1.357   1.959  -6.476
  718   3HD1  ILE  89          3HD1      ILE  89   0.449   0.508  -6.904
  719    H    GLU  90           H        GLU  90   5.960   1.627 -10.018
  720    HA   GLU  90           HA       GLU  90   4.865  -0.262 -11.969
  721   1HB   GLU  90          2HB       GLU  90   6.511   2.241 -12.275
  722   2HB   GLU  90          1HB       GLU  90   6.206   1.139 -13.611
  723   1HG   GLU  90          2HG       GLU  90   4.068   2.518 -12.004
  724   2HG   GLU  90          1HG       GLU  90   4.681   3.076 -13.559
  725    H    ASN  91           H        ASN  91   7.996   0.798 -10.654
  726    HA   ASN  91           HA       ASN  91   9.446  -1.174 -12.155
  727   1HB   ASN  91          2HB       ASN  91  10.184   0.863 -10.084
  728   2HB   ASN  91          1HB       ASN  91  11.331  -0.396 -10.529
  729   1HD2  ASN  91          1HD2      ASN  91   9.044   1.681 -12.288
  730   2HD2  ASN  91          2HD2      ASN  91  10.189   2.240 -13.452
  731    H    ASN  92           H        ASN  92   8.166  -0.929  -8.895
  732    HA   ASN  92           HA       ASN  92   8.579  -3.760  -8.525
  733   1HB   ASN  92          2HB       ASN  92  10.652  -2.248  -7.707
  734   2HB   ASN  92          1HB       ASN  92   9.648  -2.174  -6.262
  735   1HD2  ASN  92          1HD2      ASN  92   8.548  -4.592  -6.077
  736   2HD2  ASN  92          2HD2      ASN  92   9.754  -5.817  -5.914
  737    HA   PRO  93           HA       PRO  93   4.762  -2.248  -6.500
  738   1HB   PRO  93          2HB       PRO  93   3.157  -4.236  -7.326
  739   2HB   PRO  93          1HB       PRO  93   3.584  -2.884  -8.382
  740   1HG   PRO  93          2HG       PRO  93   4.712  -5.654  -8.301
  741   2HG   PRO  93          1HG       PRO  93   4.285  -4.662  -9.706
  742   1HD   PRO  93          2HD       PRO  93   6.842  -4.949  -8.759
  743   2HD   PRO  93          1HD       PRO  93   6.276  -3.529  -9.662
  744    H    THR  94           H        THR  94   6.658  -5.093  -6.218
  745    HA   THR  94           HA       THR  94   5.123  -6.012  -3.896
  746    HB   THR  94           HB       THR  94   6.920  -7.939  -4.120
  747    HG1  THR  94           1HG      THR  94   6.770  -7.003  -6.786
  748   1HG2  THR  94          1HG2      THR  94   4.705  -8.576  -4.407
  749   2HG2  THR  94          2HG2      THR  94   5.475  -9.006  -5.935
  750   3HG2  THR  94          3HG2      THR  94   4.493  -7.546  -5.822
  751    H    VAL  95           H        VAL  95   7.305  -3.746  -4.245
  752    HA   VAL  95           HA       VAL  95   9.491  -4.472  -2.635
  753    HB   VAL  95           HB       VAL  95   9.495  -2.479  -4.074
  754   1HG1  VAL  95          1HG1      VAL  95   8.327  -0.485  -2.558
  755   2HG1  VAL  95          2HG1      VAL  95   7.163  -1.807  -2.483
  756   3HG1  VAL  95          3HG1      VAL  95   7.684  -1.180  -4.045
  757   1HG2  VAL  95          1HG2      VAL  95  11.104  -2.642  -2.252
  758   2HG2  VAL  95          2HG2      VAL  95   9.960  -1.868  -1.156
  759   3HG2  VAL  95          3HG2      VAL  95  10.627  -0.964  -2.516
  760    H    LYS  96           H        LYS  96   9.939  -4.144  -0.461
  761    HA   LYS  96           HA       LYS  96   7.615  -3.563   1.248
  762   1HB   LYS  96          2HB       LYS  96   9.118  -5.966   1.074
  763   2HB   LYS  96          1HB       LYS  96   9.475  -5.233   2.632
  764   1HG   LYS  96          2HG       LYS  96   6.741  -4.989   2.440
  765   2HG   LYS  96          1HG       LYS  96   7.065  -6.558   1.700
  766   1HD   LYS  96          2HD       LYS  96   7.952  -7.439   3.644
  767   2HD   LYS  96          1HD       LYS  96   8.369  -5.853   4.294
  768   1HE   LYS  96          2HE       LYS  96   5.496  -6.429   3.846
  769   2HE   LYS  96          1HE       LYS  96   6.289  -7.274   5.175
  770   1HZ   LYS  96          1HZ       LYS  96   5.327  -5.223   5.949
  771   2HZ   LYS  96          2HZ       LYS  96   6.173  -4.331   4.788
  772   3HZ   LYS  96          3HZ       LYS  96   7.013  -5.111   6.031
  773    H    ALA  97           H        ALA  97   8.229  -2.913   3.493
  774    HA   ALA  97           HA       ALA  97  10.547  -1.106   3.381
  775   1HB   ALA  97          1HB       ALA  97   9.361   0.444   4.509
  776   2HB   ALA  97          2HB       ALA  97   8.567  -0.751   5.533
  777   3HB   ALA  97          3HB       ALA  97   7.980  -0.463   3.895
  778    H    SER  98           H        SER  98  12.055  -2.738   3.990
  779    HA   SER  98           HA       SER  98  11.896  -3.465   6.842
  780   1HB   SER  98          2HB       SER  98  11.636  -5.422   5.303
  781   2HB   SER  98          1HB       SER  98  13.247  -5.082   4.669
  782    HG   SER  98           HG       SER  98  13.478  -6.596   6.268
  783    H    GLY  99           H        GLY  99  13.361  -2.411   7.996
  784   1HA   GLY  99          2HA       GLY  99  15.759  -2.206   8.467
  785   2HA   GLY  99          1HA       GLY  99  15.990  -1.877   6.757
  786    H    TYR 100           H        TYR 100  13.561  -0.561   8.981
  787    HA   TYR 100           HA       TYR 100  14.456   2.126   8.235
  788   1HB   TYR 100          2HB       TYR 100  12.258   2.812   9.330
  789   2HB   TYR 100          1HB       TYR 100  12.135   1.879   7.843
  790    HD1  TYR 100           1HD      TYR 100  11.418  -0.475   7.916
  791    HD2  TYR 100           2HD      TYR 100  11.482   1.938  11.417
  792    HE1  TYR 100           1HE      TYR 100   9.974  -2.103   9.057
  793    HE2  TYR 100           2HE      TYR 100  10.039   0.317  12.568
  794    HH   TYR 100           HH       TYR 100   8.255  -1.503  11.702
  795    H    GLN 101           H        GLN 101  16.300   2.126   9.609
  796    HA   GLN 101           HA       GLN 101  15.698   2.240  12.486
  797   1HB   GLN 101          2HB       GLN 101  18.229   2.034  12.710
  798   2HB   GLN 101          1HB       GLN 101  17.367   0.613  12.134
  799   1HG   GLN 101          2HG       GLN 101  18.446   0.614  10.188
  800   2HG   GLN 101          1HG       GLN 101  18.243   2.353   9.976
  801   1HE2  GLN 101          1HE2      GLN 101  19.592   3.523  11.873
  802   2HE2  GLN 101          2HE2      GLN 101  21.259   3.069  11.879
  803    H    SER 102           H        SER 102  17.108   3.984   9.794
  804    HA   SER 102           HA       SER 102  17.668   6.274  11.544
  805   1HB   SER 102          2HB       SER 102  19.469   5.434  10.002
  806   2HB   SER 102          1HB       SER 102  18.455   5.923   8.645
  807    HG   SER 102           HG       SER 102  19.792   7.622   9.045
  808    H    SER 103           H        SER 103  16.651   8.209  11.315
  809    HA   SER 103           HA       SER 103  15.000   8.812   9.045
  810   1HB   SER 103          2HB       SER 103  13.561   8.582  11.685
  811   2HB   SER 103          1HB       SER 103  12.869   8.792  10.076
  812    HG   SER 103           HG       SER 103  13.801   6.497  11.332
  813    H    GLN 104           H        GLN 104  15.168  10.924   8.719
  814    HA   GLN 104           HA       GLN 104  15.511  13.147   9.054
  815   1HB   GLN 104          2HB       GLN 104  13.542  12.475  10.778
  816   2HB   GLN 104          1HB       GLN 104  14.746  13.068  11.913
  817   1HG   GLN 104          2HG       GLN 104  13.493  14.950  11.447
  818   2HG   GLN 104          1HG       GLN 104  14.877  15.121  10.369
  819   1HE2  GLN 104          1HE2      GLN 104  13.668  16.486   9.021
  820   2HE2  GLN 104          2HE2      GLN 104  12.466  15.862   7.947
  821    H    LYS 105           H        LYS 105  17.684  13.384   8.924
  822    HA   LYS 105           HA       LYS 105  19.547  12.517  10.842
  823   1HB   LYS 105          2HB       LYS 105  19.887  13.266   8.373
  824   2HB   LYS 105          1HB       LYS 105  20.054  14.876   9.057
  825   1HG   LYS 105          2HG       LYS 105  22.235  14.247   9.036
  826   2HG   LYS 105          1HG       LYS 105  21.779  13.647  10.632
  827   1HD   LYS 105          2HD       LYS 105  21.411  11.421   9.695
  828   2HD   LYS 105          1HD       LYS 105  21.842  12.019   8.091
  829   1HE   LYS 105          2HE       LYS 105  24.086  12.533   8.861
  830   2HE   LYS 105          1HE       LYS 105  23.663  12.025  10.495
  831   1HZ   LYS 105          1HZ       LYS 105  24.576  10.106   9.778
  832   2HZ   LYS 105          2HZ       LYS 105  24.256  10.414   8.146
  833   3HZ   LYS 105          3HZ       LYS 105  23.026   9.837   9.153
  834    H    LYS 106           H        LYS 106  17.675  15.450  10.549
  835    HA   LYS 106           HA       LYS 106  19.134  16.703  12.749
  836   1HB   LYS 106          2HB       LYS 106  17.768  18.686  12.253
  837   2HB   LYS 106          1HB       LYS 106  18.623  18.111  10.828
  838   1HG   LYS 106          2HG       LYS 106  16.673  18.222   9.773
  839   2HG   LYS 106          1HG       LYS 106  16.203  16.793  10.697
  840   1HD   LYS 106          2HD       LYS 106  14.479  18.152  11.283
  841   2HD   LYS 106          1HD       LYS 106  15.635  18.657  12.516
  842   1HE   LYS 106          2HE       LYS 106  15.228  20.727  11.758
  843   2HE   LYS 106          1HE       LYS 106  16.305  20.282  10.436
  844   1HZ   LYS 106          1HZ       LYS 106  13.472  19.596  10.187
  845   2HZ   LYS 106          2HZ       LYS 106  14.584  20.037   8.991
  846   3HZ   LYS 106          3HZ       LYS 106  13.909  21.219   9.995
  847    H    SER 107           H        SER 107  17.658  17.912  14.358
  848    HA   SER 107           HA       SER 107  16.215  17.784  16.112
  849   1HB   SER 107          2HB       SER 107  14.507  17.969  14.340
  850   2HB   SER 107          1HB       SER 107  14.503  16.213  14.168
  851    HG   SER 107           HG       SER 107  13.956  17.502  16.627
  852    H    CYS 108           H        CYS 108  17.734  16.477  17.261
  853    HA   CYS 108           HA       CYS 108  16.665  13.831  17.864
  854   1HB   CYS 108          2HB       CYS 108  18.778  13.994  16.153
  855   2HB   CYS 108          1HB       CYS 108  19.610  13.885  17.700
  856    HG   CYS 108           HG       CYS 108  17.779  11.672  16.525
  857    H    ALA 109           H        ALA 109  19.419  15.969  18.629
  858    HA   ALA 109           HA       ALA 109  18.729  15.668  21.479
  859   1HB   ALA 109          1HB       ALA 109  21.240  15.108  20.111
  860   2HB   ALA 109          2HB       ALA 109  20.685  14.614  21.710
  861   3HB   ALA 109          3HB       ALA 109  21.427  16.198  21.486
  862    H    GLU 110           H        GLU 110  20.327  17.700  19.048
  863    HA   GLU 110           HA       GLU 110  19.571  20.052  20.650
  864   1HB   GLU 110          2HB       GLU 110  22.127  19.321  20.406
  865   2HB   GLU 110          1HB       GLU 110  21.971  20.212  18.899
  866   1HG   GLU 110          2HG       GLU 110  20.943  21.548  21.318
  867   2HG   GLU 110          1HG       GLU 110  22.690  21.333  21.219
  Start of MODEL   18
    1   1H    MET   1          1HT       MET   1 -29.937 -11.750 -10.632
    2   2H    MET   1          2HT       MET   1 -28.539 -11.248  -9.771
    3   3H    MET   1          3HT       MET   1 -28.463 -12.604 -10.822
    4    HA   MET   1           HA       MET   1 -27.494 -10.488 -11.652
    5   1HB   MET   1          2HB       MET   1 -29.242 -12.460 -12.894
    6   2HB   MET   1          1HB       MET   1 -29.213 -10.951 -13.796
    7   1HG   MET   1          2HG       MET   1 -26.907 -11.090 -14.173
    8   2HG   MET   1          1HG       MET   1 -26.692 -12.321 -12.930
    9   1HE   MET   1          1HE       MET   1 -27.934 -11.947 -16.908
   10   2HE   MET   1          2HE       MET   1 -29.152 -11.660 -15.664
   11   3HE   MET   1          3HE       MET   1 -29.212 -13.131 -16.634
   12    H    SER   2           H        SER   2 -27.980  -8.485 -10.859
   13    HA   SER   2           HA       SER   2 -30.525  -7.310 -11.767
   14   1HB   SER   2          2HB       SER   2 -29.115  -7.026  -9.126
   15   2HB   SER   2          1HB       SER   2 -30.203  -5.765  -9.707
   16    HG   SER   2           HG       SER   2 -30.958  -8.488  -9.538
   17    H    ARG   3           H        ARG   3 -27.158  -6.653 -10.867
   18    HA   ARG   3           HA       ARG   3 -27.053  -4.622 -12.968
   19   1HB   ARG   3          2HB       ARG   3 -26.267  -4.166 -10.089
   20   2HB   ARG   3          1HB       ARG   3 -25.753  -3.124 -11.409
   21   1HG   ARG   3          2HG       ARG   3 -27.591  -1.942 -11.029
   22   2HG   ARG   3          1HG       ARG   3 -28.489  -3.285 -11.739
   23   1HD   ARG   3          2HD       ARG   3 -28.867  -4.258  -9.587
   24   2HD   ARG   3          1HD       ARG   3 -27.782  -3.101  -8.816
   25    HE   ARG   3           HE       ARG   3 -29.500  -1.598  -8.756
   26   1HH1  ARG   3          1HH1      ARG   3 -30.285  -4.088 -11.071
   27   2HH1  ARG   3          2HH1      ARG   3 -31.896  -3.511 -11.333
   28   1HH2  ARG   3          1HH2      ARG   3 -31.619  -0.837  -9.099
   29   2HH2  ARG   3          2HH2      ARG   3 -32.654  -1.666 -10.214
   30    H    SER   4           H        SER   4 -25.812  -6.139 -14.129
   31    HA   SER   4           HA       SER   4 -23.152  -6.709 -13.005
   32   1HB   SER   4          2HB       SER   4 -24.982  -8.452 -14.143
   33   2HB   SER   4          1HB       SER   4 -23.838  -8.153 -15.452
   34    HG   SER   4           HG       SER   4 -23.100  -8.912 -12.819
   35    H    ASN   5           H        ASN   5 -21.969  -4.948 -13.581
   36    HA   ASN   5           HA       ASN   5 -21.054  -4.760 -16.254
   37   1HB   ASN   5          2HB       ASN   5 -23.353  -3.573 -16.279
   38   2HB   ASN   5          1HB       ASN   5 -22.542  -2.295 -15.380
   39   1HD2  ASN   5          1HD2      ASN   5 -21.151  -0.947 -16.413
   40   2HD2  ASN   5          2HD2      ASN   5 -20.883  -0.971 -18.119
   41    H    ARG   6           H        ARG   6 -21.452  -3.041 -13.183
   42    HA   ARG   6           HA       ARG   6 -18.623  -2.233 -13.367
   43   1HB   ARG   6          2HB       ARG   6 -20.664  -0.492 -13.295
   44   2HB   ARG   6          1HB       ARG   6 -20.451  -0.738 -11.567
   45   1HG   ARG   6          2HG       ARG   6 -18.169  -0.009 -11.686
   46   2HG   ARG   6          1HG       ARG   6 -18.246   0.077 -13.447
   47   1HD   ARG   6          2HD       ARG   6 -18.455   2.296 -12.548
   48   2HD   ARG   6          1HD       ARG   6 -20.003   1.810 -13.240
   49    HE   ARG   6           HE       ARG   6 -20.263   1.136 -10.639
   50   1HH1  ARG   6          1HH1      ARG   6 -19.290   4.081 -12.239
   51   2HH1  ARG   6          2HH1      ARG   6 -19.896   5.110 -10.985
   52   1HH2  ARG   6          1HH2      ARG   6 -21.062   2.488  -8.990
   53   2HH2  ARG   6          2HH2      ARG   6 -20.902   4.206  -9.141
   54    H    GLN   7           H        GLN   7 -17.614  -3.779 -12.203
   55    HA   GLN   7           HA       GLN   7 -18.708  -4.529  -9.590
   56   1HB   GLN   7          2HB       GLN   7 -16.361  -5.747 -11.054
   57   2HB   GLN   7          1HB       GLN   7 -17.188  -6.404  -9.649
   58   1HG   GLN   7          2HG       GLN   7 -19.275  -6.352 -11.217
   59   2HG   GLN   7          1HG       GLN   7 -18.059  -6.322 -12.494
   60   1HE2  GLN   7          1HE2      GLN   7 -16.894  -8.135 -12.934
   61   2HE2  GLN   7          2HE2      GLN   7 -17.186  -9.666 -12.190
   62    H    LYS   8           H        LYS   8 -16.647  -5.169  -8.076
   63    HA   LYS   8           HA       LYS   8 -14.514  -3.266  -8.140
   64   1HB   LYS   8          2HB       LYS   8 -15.089  -1.933  -6.246
   65   2HB   LYS   8          1HB       LYS   8 -16.463  -1.897  -7.339
   66   1HG   LYS   8          2HG       LYS   8 -17.807  -3.062  -5.918
   67   2HG   LYS   8          1HG       LYS   8 -16.463  -3.940  -5.185
   68   1HD   LYS   8          2HD       LYS   8 -16.031  -2.295  -3.675
   69   2HD   LYS   8          1HD       LYS   8 -16.543  -1.008  -4.770
   70   1HE   LYS   8          2HE       LYS   8 -18.841  -1.450  -4.340
   71   2HE   LYS   8          1HE       LYS   8 -18.457  -2.939  -3.477
   72   1HZ   LYS   8          1HZ       LYS   8 -18.969  -1.217  -1.912
   73   2HZ   LYS   8          2HZ       LYS   8 -17.830  -0.172  -2.598
   74   3HZ   LYS   8          3HZ       LYS   8 -17.319  -1.571  -1.795
   75    H    GLU   9           H        GLU   9 -14.211  -3.306  -5.196
   76    HA   GLU   9           HA       GLU   9 -13.496  -4.655  -3.480
   77   1HB   GLU   9          2HB       GLU   9 -15.143  -6.420  -4.840
   78   2HB   GLU   9          1HB       GLU   9 -13.592  -7.248  -4.825
   79   1HG   GLU   9          2HG       GLU   9 -14.202  -6.117  -2.242
   80   2HG   GLU   9          1HG       GLU   9 -15.489  -7.185  -2.798
   81    H    TYR  10           H        TYR  10 -11.430  -5.254  -2.933
   82    HA   TYR  10           HA       TYR  10  -9.577  -5.743  -5.180
   83   1HB   TYR  10          2HB       TYR  10  -8.805  -4.215  -2.699
   84   2HB   TYR  10          1HB       TYR  10  -7.967  -4.288  -4.247
   85    HD1  TYR  10           1HD      TYR  10  -8.434  -2.724  -5.946
   86    HD2  TYR  10           2HD      TYR  10 -11.022  -3.003  -2.582
   87    HE1  TYR  10           1HE      TYR  10  -9.598  -0.687  -6.681
   88    HE2  TYR  10           2HE      TYR  10 -12.193  -0.966  -3.307
   89    HH   TYR  10           HH       TYR  10 -11.768   0.400  -6.394
   90    H    LYS  11           H        LYS  11  -7.476  -6.718  -4.473
   91    HA   LYS  11           HA       LYS  11  -7.736  -8.402  -2.098
   92   1HB   LYS  11          2HB       LYS  11  -7.468  -9.321  -4.925
   93   2HB   LYS  11          1HB       LYS  11  -6.675 -10.246  -3.656
   94   1HG   LYS  11          2HG       LYS  11  -9.542  -9.533  -3.314
   95   2HG   LYS  11          1HG       LYS  11  -9.113 -10.815  -4.447
   96   1HD   LYS  11          2HD       LYS  11  -8.129 -12.125  -2.757
   97   2HD   LYS  11          1HD       LYS  11  -8.078 -10.771  -1.626
   98   1HE   LYS  11          2HE       LYS  11 -10.759 -10.990  -2.240
   99   2HE   LYS  11          1HE       LYS  11 -10.218 -12.667  -2.180
  100   1HZ   LYS  11          1HZ       LYS  11 -10.954 -11.269  -0.037
  101   2HZ   LYS  11          2HZ       LYS  11  -9.288 -10.977  -0.015
  102   3HZ   LYS  11          3HZ       LYS  11  -9.869 -12.565   0.023
  103    H    CYS  12           H        CYS  12  -5.648  -9.536  -1.592
  104    HA   CYS  12           HA       CYS  12  -3.577  -7.740  -1.253
  105   1HB   CYS  12          2HB       CYS  12  -3.966  -9.989  -0.099
  106   2HB   CYS  12          1HB       CYS  12  -3.131 -10.713  -1.469
  107    HG   CYS  12           HG       CYS  12  -1.362 -10.311   0.354
  108    H    GLY  13           H        GLY  13  -2.016  -6.943  -2.549
  109   1HA   GLY  13          2HA       GLY  13  -0.272  -7.167  -4.147
  110   2HA   GLY  13          1HA       GLY  13  -1.137  -8.520  -4.854
  111    H    ASP  14           H        ASP  14  -3.602  -6.568  -4.558
  112    HA   ASP  14           HA       ASP  14  -3.533  -5.727  -7.282
  113   1HB   ASP  14          2HB       ASP  14  -5.530  -6.222  -5.461
  114   2HB   ASP  14          1HB       ASP  14  -5.574  -4.468  -5.590
  115    H    LEU  15           H        LEU  15  -3.326  -3.689  -8.153
  116    HA   LEU  15           HA       LEU  15  -1.988  -1.736  -6.455
  117   1HB   LEU  15          2HB       LEU  15  -2.421  -1.793  -9.443
  118   2HB   LEU  15          1HB       LEU  15  -1.503  -0.570  -8.586
  119    HG   LEU  15           HG       LEU  15  -0.806  -3.489  -8.877
  120   1HD1  LEU  15          1HD1      LEU  15   1.336  -2.129  -9.728
  121   2HD1  LEU  15          2HD1      LEU  15   0.071  -0.973 -10.146
  122   3HD1  LEU  15          3HD1      LEU  15   0.014  -2.614 -10.790
  123   1HD2  LEU  15          1HD2      LEU  15   1.349  -2.196  -7.722
  124   2HD2  LEU  15          2HD2      LEU  15   0.244  -3.310  -6.919
  125   3HD2  LEU  15          3HD2      LEU  15  -0.042  -1.572  -6.835
  126    H    VAL  16           H        VAL  16  -3.102  -0.180  -5.511
  127    HA   VAL  16           HA       VAL  16  -5.358   1.027  -6.937
  128    HB   VAL  16           HB       VAL  16  -6.702   1.074  -4.861
  129   1HG1  VAL  16          1HG1      VAL  16  -7.528  -0.586  -6.169
  130   2HG1  VAL  16          2HG1      VAL  16  -6.959  -1.577  -4.826
  131   3HG1  VAL  16          3HG1      VAL  16  -5.980  -1.420  -6.283
  132   1HG2  VAL  16          1HG2      VAL  16  -4.841   0.829  -3.273
  133   2HG2  VAL  16          2HG2      VAL  16  -4.628  -0.841  -3.798
  134   3HG2  VAL  16          3HG2      VAL  16  -6.117  -0.355  -2.989
  135    H    PHE  17           H        PHE  17  -6.193   2.959  -5.622
  136    HA   PHE  17           HA       PHE  17  -3.876   4.500  -4.634
  137   1HB   PHE  17          2HB       PHE  17  -6.191   5.232  -6.377
  138   2HB   PHE  17          1HB       PHE  17  -5.540   6.462  -5.300
  139    HD1  PHE  17           1HD      PHE  17  -5.390   5.251  -8.509
  140    HD2  PHE  17           2HD      PHE  17  -2.838   6.483  -5.341
  141    HE1  PHE  17           1HE      PHE  17  -3.608   5.715 -10.134
  142    HE2  PHE  17           2HE      PHE  17  -1.047   6.949  -6.957
  143    HZ   PHE  17           HZ       PHE  17  -1.428   6.567  -9.362
  144    H    ALA  18           H        ALA  18  -4.057   5.511  -2.661
  145    HA   ALA  18           HA       ALA  18  -6.588   5.081  -1.216
  146   1HB   ALA  18          1HB       ALA  18  -3.795   4.642  -0.480
  147   2HB   ALA  18          2HB       ALA  18  -5.268   3.928   0.175
  148   3HB   ALA  18          3HB       ALA  18  -4.728   5.509   0.739
  149    H    LYS  19           H        LYS  19  -7.707   6.831  -0.699
  150    HA   LYS  19           HA       LYS  19  -6.454   9.447  -0.910
  151   1HB   LYS  19          2HB       LYS  19  -8.730   8.810  -1.933
  152   2HB   LYS  19          1HB       LYS  19  -9.354   8.929  -0.294
  153   1HG   LYS  19          2HG       LYS  19  -9.706  10.978  -1.600
  154   2HG   LYS  19          1HG       LYS  19  -8.709  11.248  -0.168
  155   1HD   LYS  19          2HD       LYS  19  -6.762  11.494  -1.421
  156   2HD   LYS  19          1HD       LYS  19  -7.449  10.676  -2.825
  157   1HE   LYS  19          2HE       LYS  19  -7.300  13.029  -3.293
  158   2HE   LYS  19          1HE       LYS  19  -8.997  12.588  -3.121
  159   1HZ   LYS  19          1HZ       LYS  19  -9.048  14.340  -1.750
  160   2HZ   LYS  19          2HZ       LYS  19  -7.376  14.347  -1.500
  161   3HZ   LYS  19          3HZ       LYS  19  -8.358  13.292  -0.615
  162    H    MET  20           H        MET  20  -5.963  10.715   0.751
  163    HA   MET  20           HA       MET  20  -6.911   9.939   3.431
  164   1HB   MET  20          2HB       MET  20  -4.193  11.080   2.774
  165   2HB   MET  20          1HB       MET  20  -4.754  10.554   4.354
  166   1HG   MET  20          2HG       MET  20  -4.901   8.508   2.265
  167   2HG   MET  20          1HG       MET  20  -3.270   9.063   2.641
  168   1HE   MET  20          1HE       MET  20  -2.337   6.858   5.381
  169   2HE   MET  20          2HE       MET  20  -2.057   8.578   5.100
  170   3HE   MET  20          3HE       MET  20  -2.053   7.450   3.744
  171    H    LYS  21           H        LYS  21  -7.084  11.669   4.975
  172    HA   LYS  21           HA       LYS  21  -8.155  14.059   3.836
  173   1HB   LYS  21          2HB       LYS  21  -8.384  14.758   6.243
  174   2HB   LYS  21          1HB       LYS  21  -9.172  13.241   5.831
  175   1HG   LYS  21          2HG       LYS  21  -6.423  12.942   6.785
  176   2HG   LYS  21          1HG       LYS  21  -7.538  13.629   7.968
  177   1HD   LYS  21          2HD       LYS  21  -8.451  11.258   6.434
  178   2HD   LYS  21          1HD       LYS  21  -7.218  11.004   7.671
  179   1HE   LYS  21          2HE       LYS  21  -9.030  10.781   9.006
  180   2HE   LYS  21          1HE       LYS  21  -8.917  12.539   9.058
  181   1HZ   LYS  21          1HZ       LYS  21 -10.408  11.922   6.811
  182   2HZ   LYS  21          2HZ       LYS  21 -10.967  12.600   8.256
  183   3HZ   LYS  21          3HZ       LYS  21 -11.002  10.923   8.040
  184    H    GLY  22           H        GLY  22  -6.889  15.609   3.026
  185   1HA   GLY  22          2HA       GLY  22  -5.462  17.484   3.461
  186   2HA   GLY  22          1HA       GLY  22  -4.610  16.513   4.650
  187    H    TYR  23           H        TYR  23  -5.069  14.500   2.104
  188    HA   TYR  23           HA       TYR  23  -2.821  15.452   0.508
  189   1HB   TYR  23          2HB       TYR  23  -2.690  12.604   1.425
  190   2HB   TYR  23          1HB       TYR  23  -1.394  13.665   0.887
  191    HD1  TYR  23           1HD      TYR  23  -2.924  12.162   3.685
  192    HD2  TYR  23           2HD      TYR  23  -0.851  15.676   2.482
  193    HE1  TYR  23           1HE      TYR  23  -2.337  12.607   6.027
  194    HE2  TYR  23           2HE      TYR  23  -0.256  16.132   4.824
  195    HH   TYR  23           HH       TYR  23   0.019  14.771   6.954
  196    HA   PRO  24           HA       PRO  24  -5.225  13.597  -2.689
  197   1HB   PRO  24          2HB       PRO  24  -3.416  13.456  -4.670
  198   2HB   PRO  24          1HB       PRO  24  -4.030  15.004  -4.075
  199   1HG   PRO  24          2HG       PRO  24  -1.444  13.632  -3.470
  200   2HG   PRO  24          1HG       PRO  24  -1.760  15.351  -3.771
  201   1HD   PRO  24          2HD       PRO  24  -1.453  14.248  -1.271
  202   2HD   PRO  24          1HD       PRO  24  -2.356  15.740  -1.599
  203    H    HIS  25           H        HIS  25  -5.331  11.738  -4.172
  204    HA   HIS  25           HA       HIS  25  -4.994   9.298  -2.971
  205   1HB   HIS  25          2HB       HIS  25  -5.031   9.997  -5.912
  206   2HB   HIS  25          1HB       HIS  25  -5.113   8.346  -5.309
  207    HD1  HIS  25           1HD      HIS  25  -7.101  11.525  -5.472
  208    HD2  HIS  25           2HD      HIS  25  -7.582   7.569  -4.299
  209    HE1  HIS  25           1HE      HIS  25  -9.567  11.236  -5.079
  210    HE2  HIS  25           2HE      HIS  25  -9.818   8.866  -4.264
  211    H    TRP  26           H        TRP  26  -3.183   8.299  -2.300
  212    HA   TRP  26           HA       TRP  26  -0.644   8.820  -3.673
  213   1HB   TRP  26          2HB       TRP  26  -1.108   8.926  -1.074
  214   2HB   TRP  26          1HB       TRP  26  -0.843   7.190  -1.174
  215    HD1  TRP  26           HD       TRP  26   1.653   6.431  -2.143
  216    HE1  TRP  26           1HE      TRP  26   3.936   7.586  -1.800
  217    HE3  TRP  26           3HE      TRP  26   0.029  11.093  -0.814
  218    HZ2  TRP  26           2HZ      TRP  26   4.904  10.137  -1.064
  219    HZ3  TRP  26           3HZ      TRP  26   1.679  12.824  -0.313
  220    HH2  TRP  26           HH       TRP  26   4.056  12.359  -0.434
  221    HA   PRO  27           HA       PRO  27  -0.845   4.911  -5.827
  222   1HB   PRO  27          2HB       PRO  27   1.919   4.557  -5.983
  223   2HB   PRO  27          1HB       PRO  27   0.930   5.427  -7.159
  224   1HG   PRO  27          2HG       PRO  27   2.586   6.489  -4.915
  225   2HG   PRO  27          1HG       PRO  27   2.325   7.159  -6.537
  226   1HD   PRO  27          2HD       PRO  27   1.090   8.182  -4.391
  227   2HD   PRO  27          1HD       PRO  27   0.267   8.072  -5.962
  228    H    ALA  28           H        ALA  28  -1.372   3.134  -4.736
  229    HA   ALA  28           HA       ALA  28   0.547   2.041  -2.820
  230   1HB   ALA  28          1HB       ALA  28  -0.692   2.425  -1.019
  231   2HB   ALA  28          2HB       ALA  28  -2.131   1.767  -1.797
  232   3HB   ALA  28          3HB       ALA  28  -1.702   3.463  -2.026
  233    H    ARG  29           H        ARG  29  -0.362  -0.114  -1.939
  234    HA   ARG  29           HA       ARG  29  -1.870  -1.603  -3.948
  235   1HB   ARG  29          2HB       ARG  29   0.566  -1.802  -4.503
  236   2HB   ARG  29          1HB       ARG  29   0.815  -2.546  -2.930
  237   1HG   ARG  29          2HG       ARG  29  -0.854  -4.301  -3.625
  238   2HG   ARG  29          1HG       ARG  29  -0.761  -3.619  -5.249
  239   1HD   ARG  29          2HD       ARG  29   0.770  -5.390  -5.255
  240   2HD   ARG  29          1HD       ARG  29   1.760  -3.944  -5.057
  241    HE   ARG  29           HE       ARG  29   1.419  -4.644  -2.525
  242   1HH1  ARG  29          1HH1      ARG  29   2.212  -6.624  -5.294
  243   2HH1  ARG  29          2HH1      ARG  29   3.095  -7.785  -4.362
  244   1HH2  ARG  29          1HH2      ARG  29   2.585  -6.171  -1.307
  245   2HH2  ARG  29          2HH2      ARG  29   3.309  -7.529  -2.103
  246    H    ILE  30           H        ILE  30  -2.650  -3.683  -3.133
  247    HA   ILE  30           HA       ILE  30  -3.290  -3.534  -0.309
  248    HB   ILE  30           HB       ILE  30  -4.013  -5.811  -2.143
  249   1HG1  ILE  30          2HG1      ILE  30  -4.641  -3.704  -3.260
  250   2HG1  ILE  30          1HG1      ILE  30  -6.060  -4.606  -2.738
  251   1HG2  ILE  30          1HG2      ILE  30  -4.395  -5.540   0.503
  252   2HG2  ILE  30          2HG2      ILE  30  -5.487  -6.435  -0.553
  253   3HG2  ILE  30          3HG2      ILE  30  -5.867  -4.775  -0.097
  254   1HD1  ILE  30          1HD1      ILE  30  -6.295  -2.218  -2.324
  255   2HD1  ILE  30          2HD1      ILE  30  -4.857  -2.252  -1.302
  256   3HD1  ILE  30          3HD1      ILE  30  -6.303  -3.138  -0.819
  257    H    ASP  31           H        ASP  31  -2.437  -4.813   1.293
  258    HA   ASP  31           HA       ASP  31  -0.448  -6.812   0.452
  259   1HB   ASP  31          2HB       ASP  31   0.521  -4.685   1.393
  260   2HB   ASP  31          1HB       ASP  31  -0.232  -5.103   2.930
  261    H    GLU  32           H        GLU  32  -3.220  -6.194   2.375
  262    HA   GLU  32           HA       GLU  32  -3.313  -8.929   3.200
  263   1HB   GLU  32          2HB       GLU  32  -2.240  -6.936   5.018
  264   2HB   GLU  32          1HB       GLU  32  -3.652  -7.740   5.691
  265   1HG   GLU  32          2HG       GLU  32  -2.617  -9.897   5.391
  266   2HG   GLU  32          1HG       GLU  32  -1.234  -9.153   4.591
  267    H    MET  33           H        MET  33  -5.277  -9.474   4.346
  268    HA   MET  33           HA       MET  33  -7.398  -7.474   4.328
  269   1HB   MET  33          2HB       MET  33  -7.840 -10.127   2.969
  270   2HB   MET  33          1HB       MET  33  -8.880  -8.710   2.947
  271   1HG   MET  33          2HG       MET  33  -6.488  -7.828   1.853
  272   2HG   MET  33          1HG       MET  33  -6.708  -9.445   1.191
  273   1HE   MET  33          1HE       MET  33  -8.012  -5.650  -0.025
  274   2HE   MET  33          2HE       MET  33  -7.629  -6.041   1.652
  275   3HE   MET  33          3HE       MET  33  -9.310  -5.858   1.151
  276    HA   PRO  34           HA       PRO  34  -8.202  -9.495   8.221
  277   1HB   PRO  34          2HB       PRO  34 -10.956  -8.485   7.712
  278   2HB   PRO  34          1HB       PRO  34  -9.935  -8.297   9.142
  279   1HG   PRO  34          2HG       PRO  34 -10.293  -6.269   7.458
  280   2HG   PRO  34          1HG       PRO  34  -8.710  -6.566   8.202
  281   1HD   PRO  34          2HD       PRO  34  -9.637  -7.136   5.421
  282   2HD   PRO  34          1HD       PRO  34  -8.044  -6.598   5.994
  283    H    GLU  35           H        GLU  35  -9.413 -11.257   9.050
  284    HA   GLU  35           HA       GLU  35 -10.058 -13.235   7.140
  285   1HB   GLU  35          2HB       GLU  35  -9.194 -13.589   9.507
  286   2HB   GLU  35          1HB       GLU  35 -10.844 -13.309  10.042
  287   1HG   GLU  35          2HG       GLU  35 -11.621 -15.269   9.125
  288   2HG   GLU  35          1HG       GLU  35 -10.306 -15.366   7.955
  289    H    ALA  36           H        ALA  36 -12.181 -12.008   9.678
  290    HA   ALA  36           HA       ALA  36 -14.297 -11.303   7.925
  291   1HB   ALA  36          1HB       ALA  36 -15.011 -13.417   7.552
  292   2HB   ALA  36          2HB       ALA  36 -15.780 -13.195   9.124
  293   3HB   ALA  36          3HB       ALA  36 -14.241 -14.049   9.008
  294    H    ALA  37           H        ALA  37 -13.389 -12.392  11.148
  295    HA   ALA  37           HA       ALA  37 -14.318  -9.996  12.370
  296   1HB   ALA  37          1HB       ALA  37 -16.159 -12.224  12.202
  297   2HB   ALA  37          2HB       ALA  37 -16.437 -10.574  12.759
  298   3HB   ALA  37          3HB       ALA  37 -15.817 -11.788  13.877
  299    H    VAL  38           H        VAL  38 -11.998 -10.286  12.814
  300    HA   VAL  38           HA       VAL  38 -11.627 -11.581  15.392
  301    HB   VAL  38           HB       VAL  38  -9.423 -12.573  14.564
  302   1HG1  VAL  38          1HG1      VAL  38 -11.261 -13.984  15.205
  303   2HG1  VAL  38          2HG1      VAL  38 -10.538 -14.626  13.730
  304   3HG1  VAL  38          3HG1      VAL  38 -12.053 -13.727  13.650
  305   1HG2  VAL  38          1HG2      VAL  38 -10.775 -12.001  11.939
  306   2HG2  VAL  38          2HG2      VAL  38  -9.556 -13.263  12.115
  307   3HG2  VAL  38          3HG2      VAL  38  -9.139 -11.582  12.446
  308    H    LYS  39           H        LYS  39  -9.673 -10.909  16.475
  309    HA   LYS  39           HA       LYS  39  -8.437  -9.174  17.304
  310   1HB   LYS  39          2HB       LYS  39  -6.546  -8.590  15.916
  311   2HB   LYS  39          1HB       LYS  39  -6.904 -10.299  15.728
  312   1HG   LYS  39          2HG       LYS  39  -8.019  -9.848  13.610
  313   2HG   LYS  39          1HG       LYS  39  -7.693  -8.124  13.799
  314   1HD   LYS  39          2HD       LYS  39  -5.452  -8.363  13.360
  315   2HD   LYS  39          1HD       LYS  39  -5.409 -10.030  13.938
  316   1HE   LYS  39          2HE       LYS  39  -7.103 -10.198  11.793
  317   2HE   LYS  39          1HE       LYS  39  -5.947  -8.976  11.262
  318   1HZ   LYS  39          1HZ       LYS  39  -4.614 -11.164  12.486
  319   2HZ   LYS  39          2HZ       LYS  39  -4.425 -10.535  10.927
  320   3HZ   LYS  39          3HZ       LYS  39  -5.605 -11.708  11.226
  321    H    SER  40           H        SER  40  -7.371  -6.875  16.241
  322    HA   SER  40           HA       SER  40  -9.778  -5.255  15.928
  323   1HB   SER  40          2HB       SER  40  -7.935  -4.774  17.653
  324   2HB   SER  40          1HB       SER  40  -6.975  -4.205  16.287
  325    HG   SER  40           HG       SER  40  -8.882  -2.828  15.831
  326    H    THR  41           H        THR  41 -10.424  -4.929  13.905
  327    HA   THR  41           HA       THR  41  -8.456  -3.991  11.949
  328    HB   THR  41           HB       THR  41  -9.971  -5.442  10.287
  329    HG1  THR  41           1HG      THR  41 -10.428  -7.435  11.273
  330   1HG2  THR  41          1HG2      THR  41  -7.495  -6.117  11.758
  331   2HG2  THR  41          2HG2      THR  41  -7.774  -5.927  10.028
  332   3HG2  THR  41          3HG2      THR  41  -8.290  -7.401  10.847
  333    H    ALA  42           H        ALA  42 -11.619  -3.866  13.283
  334    HA   ALA  42           HA       ALA  42 -13.526  -2.718  12.734
  335   1HB   ALA  42          1HB       ALA  42 -11.590  -0.565  11.929
  336   2HB   ALA  42          2HB       ALA  42 -11.852  -1.036  13.608
  337   3HB   ALA  42          3HB       ALA  42 -13.186  -0.384  12.656
  338    H    ASN  43           H        ASN  43 -12.700  -4.373  10.588
  339    HA   ASN  43           HA       ASN  43 -13.080  -4.744   8.382
  340   1HB   ASN  43          2HB       ASN  43 -15.009  -2.524   8.977
  341   2HB   ASN  43          1HB       ASN  43 -14.856  -3.155   7.340
  342   1HD2  ASN  43          1HD2      ASN  43 -17.006  -3.247   9.450
  343   2HD2  ASN  43          2HD2      ASN  43 -17.439  -4.917   9.543
  344    H    LYS  44           H        LYS  44 -10.735  -3.682   8.610
  345    HA   LYS  44           HA       LYS  44 -10.591  -1.791   6.380
  346   1HB   LYS  44          2HB       LYS  44  -8.781  -1.454   8.750
  347   2HB   LYS  44          1HB       LYS  44  -9.150  -0.304   7.473
  348   1HG   LYS  44          2HG       LYS  44 -11.585  -0.902   8.765
  349   2HG   LYS  44          1HG       LYS  44 -10.383  -0.617  10.025
  350   1HD   LYS  44          2HD       LYS  44 -10.398   1.279   7.753
  351   2HD   LYS  44          1HD       LYS  44 -11.779   1.351   8.850
  352   1HE   LYS  44          2HE       LYS  44 -10.286   1.655  10.742
  353   2HE   LYS  44          1HE       LYS  44  -8.884   1.506   9.684
  354   1HZ   LYS  44          1HZ       LYS  44  -9.076   3.616   9.022
  355   2HZ   LYS  44          2HZ       LYS  44 -10.068   3.830  10.374
  356   3HZ   LYS  44          3HZ       LYS  44 -10.758   3.534   8.859
  357    H    TYR  45           H        TYR  45  -8.790  -1.951   5.095
  358    HA   TYR  45           HA       TYR  45  -7.220  -4.419   5.440
  359   1HB   TYR  45          2HB       TYR  45  -7.153  -2.741   2.950
  360   2HB   TYR  45          1HB       TYR  45  -6.914  -4.474   3.130
  361    HD1  TYR  45           1HD      TYR  45  -8.725  -2.930   1.149
  362    HD2  TYR  45           2HD      TYR  45  -9.482  -4.852   4.868
  363    HE1  TYR  45           1HE      TYR  45 -11.059  -3.309   0.473
  364    HE2  TYR  45           2HE      TYR  45 -11.816  -5.237   4.200
  365    HH   TYR  45           HH       TYR  45 -12.918  -5.208   1.260
  366    H    GLN  46           H        GLN  46  -4.922  -4.311   4.687
  367    HA   GLN  46           HA       GLN  46  -3.665  -1.890   5.770
  368   1HB   GLN  46          2HB       GLN  46  -3.155  -4.299   6.616
  369   2HB   GLN  46          1HB       GLN  46  -2.203  -4.440   5.145
  370   1HG   GLN  46          2HG       GLN  46  -1.341  -2.058   6.176
  371   2HG   GLN  46          1HG       GLN  46  -1.629  -3.023   7.622
  372   1HE2  GLN  46          1HE2      GLN  46   0.549  -3.172   8.110
  373   2HE2  GLN  46          2HE2      GLN  46   1.639  -4.154   7.197
  374    H    VAL  47           H        VAL  47  -3.092  -0.449   4.312
  375    HA   VAL  47           HA       VAL  47  -2.386  -1.334   1.612
  376    HB   VAL  47           HB       VAL  47  -3.163   1.404   2.625
  377   1HG1  VAL  47          1HG1      VAL  47  -3.405   1.513  -0.080
  378   2HG1  VAL  47          2HG1      VAL  47  -1.962   0.516   0.105
  379   3HG1  VAL  47          3HG1      VAL  47  -2.023   2.123   0.833
  380   1HG2  VAL  47          1HG2      VAL  47  -5.150   0.978   1.104
  381   2HG2  VAL  47          2HG2      VAL  47  -5.095   0.059   2.607
  382   3HG2  VAL  47          3HG2      VAL  47  -4.643  -0.711   1.086
  383    H    PHE  48           H        PHE  48  -0.517  -0.786   0.628
  384    HA   PHE  48           HA       PHE  48   1.620   0.275   2.351
  385   1HB   PHE  48          2HB       PHE  48   1.937  -2.009   1.410
  386   2HB   PHE  48          1HB       PHE  48   1.848  -1.327  -0.211
  387    HD1  PHE  48           1HD      PHE  48   3.867  -1.115  -1.260
  388    HD2  PHE  48           2HD      PHE  48   3.675  -0.558   2.956
  389    HE1  PHE  48           1HE      PHE  48   6.287  -0.678  -1.211
  390    HE2  PHE  48           2HE      PHE  48   6.095  -0.119   3.011
  391    HZ   PHE  48           HZ       PHE  48   7.405  -0.178   0.926
  392    H    PHE  49           H        PHE  49   2.278   2.281   1.959
  393    HA   PHE  49           HA       PHE  49   1.522   3.591  -0.543
  394   1HB   PHE  49          2HB       PHE  49   2.648   4.724   2.029
  395   2HB   PHE  49          1HB       PHE  49   2.182   5.678   0.624
  396    HD1  PHE  49           1HD      PHE  49   1.066   4.091   3.627
  397    HD2  PHE  49           2HD      PHE  49  -0.232   5.590  -0.136
  398    HE1  PHE  49           1HE      PHE  49  -1.245   4.163   4.455
  399    HE2  PHE  49           2HE      PHE  49  -2.545   5.674   0.690
  400    HZ   PHE  49           HZ       PHE  49  -3.056   4.956   2.989
  401    H    PHE  50           H        PHE  50   2.961   3.338  -2.147
  402    HA   PHE  50           HA       PHE  50   5.659   2.669  -1.839
  403   1HB   PHE  50          2HB       PHE  50   4.149   3.902  -4.145
  404   2HB   PHE  50          1HB       PHE  50   5.852   3.474  -4.252
  405    HD1  PHE  50           1HD      PHE  50   6.338   0.987  -3.346
  406    HD2  PHE  50           2HD      PHE  50   2.661   2.378  -4.974
  407    HE1  PHE  50           1HE      PHE  50   5.726  -1.324  -3.926
  408    HE2  PHE  50           2HE      PHE  50   2.041   0.068  -5.554
  409    HZ   PHE  50           HZ       PHE  50   3.575  -1.785  -5.031
  410    H    GLY  51           H        GLY  51   7.389   4.159  -3.033
  411   1HA   GLY  51          2HA       GLY  51   8.657   6.081  -2.977
  412   2HA   GLY  51          1HA       GLY  51   7.187   6.969  -2.599
  413    H    THR  52           H        THR  52   6.363   6.412  -0.278
  414    HA   THR  52           HA       THR  52   8.572   7.012   1.528
  415    HB   THR  52           HB       THR  52   6.776   7.543   3.149
  416    HG1  THR  52           1HG      THR  52   5.285   5.994   1.897
  417   1HG2  THR  52          1HG2      THR  52   7.571   9.230   1.442
  418   2HG2  THR  52          2HG2      THR  52   5.998   9.526   2.184
  419   3HG2  THR  52          3HG2      THR  52   6.093   8.865   0.552
  420    H    HIS  53           H        HIS  53   6.440   4.445   0.678
  421    HA   HIS  53           HA       HIS  53   6.262   2.282   1.365
  422   1HB   HIS  53          2HB       HIS  53   8.823   2.912   2.854
  423   2HB   HIS  53          1HB       HIS  53   8.148   1.300   2.643
  424    HD1  HIS  53           1HD      HIS  53  10.843   2.958   1.422
  425    HD2  HIS  53           2HD      HIS  53   7.598   1.238  -0.522
  426    HE1  HIS  53           1HE      HIS  53  11.622   2.519  -0.929
  427    HE2  HIS  53           2HE      HIS  53   9.672   1.395  -2.059
  428    H    GLU  54           H        GLU  54   4.868   4.307   2.745
  429    HA   GLU  54           HA       GLU  54   4.988   3.593   5.570
  430   1HB   GLU  54          2HB       GLU  54   3.100   5.515   4.201
  431   2HB   GLU  54          1HB       GLU  54   3.425   5.394   5.925
  432   1HG   GLU  54          2HG       GLU  54   5.566   6.318   5.702
  433   2HG   GLU  54          1HG       GLU  54   5.585   6.071   3.956
  434    H    THR  55           H        THR  55   3.112   2.837   6.732
  435    HA   THR  55           HA       THR  55   1.185   1.432   5.012
  436    HB   THR  55           HB       THR  55   1.220  -0.129   7.230
  437    HG1  THR  55           1HG      THR  55   3.912   0.654   6.822
  438   1HG2  THR  55          1HG2      THR  55   2.605  -0.300   4.628
  439   2HG2  THR  55          2HG2      THR  55   1.429  -1.386   5.369
  440   3HG2  THR  55          3HG2      THR  55   3.114  -1.423   5.890
  441    H    ALA  56           H        ALA  56  -0.898   1.388   5.595
  442    HA   ALA  56           HA       ALA  56  -1.754   2.412   8.168
  443   1HB   ALA  56          1HB       ALA  56  -2.622   4.416   7.544
  444   2HB   ALA  56          2HB       ALA  56  -2.927   3.893   5.887
  445   3HB   ALA  56          3HB       ALA  56  -1.291   4.323   6.388
  446    H    PHE  57           H        PHE  57  -4.195   2.453   8.314
  447    HA   PHE  57           HA       PHE  57  -5.267   0.190   6.776
  448   1HB   PHE  57          2HB       PHE  57  -5.833   1.224   9.544
  449   2HB   PHE  57          1HB       PHE  57  -6.988   0.187   8.711
  450    HD1  PHE  57           1HD      PHE  57  -6.918  -1.971   9.464
  451    HD2  PHE  57           2HD      PHE  57  -3.276   0.203   9.114
  452    HE1  PHE  57           1HE      PHE  57  -5.666  -3.956  10.206
  453    HE2  PHE  57           2HE      PHE  57  -2.018  -1.777   9.852
  454    HZ   PHE  57           HZ       PHE  57  -3.213  -3.861  10.400
  455    H    LEU  58           H        LEU  58  -6.828   0.574   5.344
  456    HA   LEU  58           HA       LEU  58  -8.605   2.857   5.758
  457   1HB   LEU  58          2HB       LEU  58  -7.120   2.298   3.192
  458   2HB   LEU  58          1HB       LEU  58  -8.396   3.487   3.375
  459    HG   LEU  58           HG       LEU  58  -6.616   4.208   5.353
  460   1HD1  LEU  58          1HD1      LEU  58  -4.956   2.632   4.508
  461   2HD1  LEU  58          2HD1      LEU  58  -4.428   4.300   4.288
  462   3HD1  LEU  58          3HD1      LEU  58  -5.048   3.383   2.916
  463   1HD2  LEU  58          1HD2      LEU  58  -6.607   5.260   2.532
  464   2HD2  LEU  58          2HD2      LEU  58  -6.205   6.133   4.010
  465   3HD2  LEU  58          3HD2      LEU  58  -7.867   5.624   3.710
  466    H    GLY  59           H        GLY  59 -10.531   2.785   4.345
  467   1HA   GLY  59          2HA       GLY  59 -11.421   0.012   4.070
  468   2HA   GLY  59          1HA       GLY  59 -12.453   1.435   4.093
  469    HA   PRO  60           HA       PRO  60 -11.451  -0.214  -0.320
  470   1HB   PRO  60          2HB       PRO  60 -14.038  -0.998  -0.885
  471   2HB   PRO  60          1HB       PRO  60 -12.751  -2.086  -0.357
  472   1HG   PRO  60          2HG       PRO  60 -14.940  -0.825   1.238
  473   2HG   PRO  60          1HG       PRO  60 -14.281  -2.468   1.339
  474   1HD   PRO  60          2HD       PRO  60 -13.616  -0.571   3.120
  475   2HD   PRO  60          1HD       PRO  60 -12.443  -1.789   2.577
  476    H    LYS  61           H        LYS  61 -13.753   1.824   1.280
  477    HA   LYS  61           HA       LYS  61 -14.875   3.053  -1.019
  478   1HB   LYS  61          2HB       LYS  61 -15.610   4.812   0.555
  479   2HB   LYS  61          1HB       LYS  61 -15.999   3.195   1.123
  480   1HG   LYS  61          2HG       LYS  61 -14.822   3.471   2.983
  481   2HG   LYS  61          1HG       LYS  61 -13.416   4.056   2.090
  482   1HD   LYS  61          2HD       LYS  61 -13.946   5.902   3.362
  483   2HD   LYS  61          1HD       LYS  61 -14.829   6.243   1.873
  484   1HE   LYS  61          2HE       LYS  61 -16.774   6.235   2.951
  485   2HE   LYS  61          1HE       LYS  61 -16.436   4.655   3.657
  486   1HZ   LYS  61          1HZ       LYS  61 -16.781   6.593   5.237
  487   2HZ   LYS  61          2HZ       LYS  61 -15.250   7.130   4.758
  488   3HZ   LYS  61          3HZ       LYS  61 -15.422   5.621   5.505
  489    H    ASP  62           H        ASP  62 -11.946   3.506   0.785
  490    HA   ASP  62           HA       ASP  62 -11.340   5.982  -0.660
  491   1HB   ASP  62          2HB       ASP  62 -10.198   4.662   1.781
  492   2HB   ASP  62          1HB       ASP  62  -9.243   5.848   0.894
  493    H    LEU  63           H        LEU  63 -11.222   2.970  -1.534
  494    HA   LEU  63           HA       LEU  63  -8.472   3.024  -2.565
  495   1HB   LEU  63          2HB       LEU  63 -10.342   0.857  -1.793
  496   2HB   LEU  63          1HB       LEU  63  -9.332   0.547  -3.192
  497    HG   LEU  63           HG       LEU  63  -7.331   0.787  -1.904
  498   1HD1  LEU  63          1HD1      LEU  63  -9.018   1.461   0.494
  499   2HD1  LEU  63          2HD1      LEU  63  -8.191   2.665  -0.494
  500   3HD1  LEU  63          3HD1      LEU  63  -7.258   1.451   0.379
  501   1HD2  LEU  63          1HD2      LEU  63  -7.541  -1.044  -0.369
  502   2HD2  LEU  63          2HD2      LEU  63  -8.557  -1.366  -1.773
  503   3HD2  LEU  63          3HD2      LEU  63  -9.287  -0.814  -0.266
  504    H    PHE  64           H        PHE  64  -8.083   3.016  -4.731
  505    HA   PHE  64           HA       PHE  64 -10.376   2.798  -6.560
  506   1HB   PHE  64          2HB       PHE  64  -8.296   4.990  -6.739
  507   2HB   PHE  64          1HB       PHE  64  -9.708   4.784  -7.767
  508    HD1  PHE  64           1HD      PHE  64 -11.533   6.100  -7.336
  509    HD2  PHE  64           2HD      PHE  64  -8.882   5.151  -4.145
  510    HE1  PHE  64           1HE      PHE  64 -12.845   7.531  -5.826
  511    HE2  PHE  64           2HE      PHE  64 -10.191   6.578  -2.628
  512    HZ   PHE  64           HZ       PHE  64 -12.175   7.771  -3.467
  513    HA   PRO  65           HA       PRO  65  -7.723   0.255  -8.995
  514   1HB   PRO  65          2HB       PRO  65  -8.630   0.940 -11.504
  515   2HB   PRO  65          1HB       PRO  65  -9.442  -0.201 -10.428
  516   1HG   PRO  65          2HG       PRO  65 -10.041   2.686 -10.926
  517   2HG   PRO  65          1HG       PRO  65 -11.160   1.329 -10.709
  518   1HD   PRO  65          2HD       PRO  65 -10.656   3.091  -8.746
  519   2HD   PRO  65          1HD       PRO  65 -10.965   1.374  -8.412
  520    H    TYR  66           H        TYR  66  -5.636   0.913  -8.959
  521    HA   TYR  66           HA       TYR  66  -4.596   3.388  -9.558
  522   1HB   TYR  66          2HB       TYR  66  -3.253   1.718  -8.453
  523   2HB   TYR  66          1HB       TYR  66  -3.300   0.675  -9.871
  524    HD1  TYR  66           1HD      TYR  66  -1.992   3.881  -8.567
  525    HD2  TYR  66           2HD      TYR  66  -1.757   0.957 -11.647
  526    HE1  TYR  66           1HE      TYR  66   0.053   4.951  -9.419
  527    HE2  TYR  66           2HE      TYR  66   0.290   2.015 -12.507
  528    HH   TYR  66           HH       TYR  66   1.914   4.561 -10.772
  529    H    GLU  67           H        GLU  67  -4.575   0.586 -11.775
  530    HA   GLU  67           HA       GLU  67  -3.500   1.827 -13.991
  531   1HB   GLU  67          2HB       GLU  67  -5.309  -0.493 -13.585
  532   2HB   GLU  67          1HB       GLU  67  -5.183   0.141 -15.220
  533   1HG   GLU  67          2HG       GLU  67  -3.486  -1.330 -15.336
  534   2HG   GLU  67          1HG       GLU  67  -2.585   0.004 -14.618
  535    H    GLU  68           H        GLU  68  -6.836   1.804 -12.910
  536    HA   GLU  68           HA       GLU  68  -7.911   3.123 -15.171
  537   1HB   GLU  68          2HB       GLU  68  -8.944   2.655 -12.391
  538   2HB   GLU  68          1HB       GLU  68  -9.877   3.520 -13.602
  539   1HG   GLU  68          2HG       GLU  68  -9.573   1.470 -15.072
  540   2HG   GLU  68          1HG       GLU  68  -9.012   0.650 -13.616
  541    H    SER  69           H        SER  69  -6.763   4.291 -12.033
  542    HA   SER  69           HA       SER  69  -7.351   7.030 -12.937
  543   1HB   SER  69          2HB       SER  69  -6.697   7.377 -10.344
  544   2HB   SER  69          1HB       SER  69  -8.335   7.017 -10.890
  545    HG   SER  69           HG       SER  69  -6.464   5.012 -10.182
  546    H    LYS  70           H        LYS  70  -4.868   5.103 -13.321
  547    HA   LYS  70           HA       LYS  70  -2.681   6.273 -12.057
  548   1HB   LYS  70          2HB       LYS  70  -1.304   5.166 -13.632
  549   2HB   LYS  70          1HB       LYS  70  -2.706   4.133 -13.397
  550   1HG   LYS  70          2HG       LYS  70  -3.626   4.767 -15.496
  551   2HG   LYS  70          1HG       LYS  70  -2.430   6.049 -15.700
  552   1HD   LYS  70          2HD       LYS  70  -1.244   4.563 -16.870
  553   2HD   LYS  70          1HD       LYS  70  -0.881   3.801 -15.320
  554   1HE   LYS  70          2HE       LYS  70  -1.704   2.005 -16.472
  555   2HE   LYS  70          1HE       LYS  70  -3.187   2.612 -15.741
  556   1HZ   LYS  70          1HZ       LYS  70  -3.056   3.993 -18.058
  557   2HZ   LYS  70          2HZ       LYS  70  -3.967   2.588 -17.817
  558   3HZ   LYS  70          3HZ       LYS  70  -2.430   2.487 -18.513
  559    H    GLU  71           H        GLU  71  -4.178   7.112 -15.159
  560    HA   GLU  71           HA       GLU  71  -2.335   9.182 -15.778
  561   1HB   GLU  71          2HB       GLU  71  -4.990   8.318 -16.847
  562   2HB   GLU  71          1HB       GLU  71  -4.330   9.873 -17.338
  563   1HG   GLU  71          2HG       GLU  71  -2.199   8.493 -17.888
  564   2HG   GLU  71          1HG       GLU  71  -3.311   7.125 -17.889
  565    H    LYS  72           H        LYS  72  -5.237   9.066 -13.861
  566    HA   LYS  72           HA       LYS  72  -5.622  11.928 -13.878
  567   1HB   LYS  72          2HB       LYS  72  -6.922   9.806 -12.167
  568   2HB   LYS  72          1HB       LYS  72  -7.443  11.479 -12.306
  569   1HG   LYS  72          2HG       LYS  72  -8.548  11.096 -14.199
  570   2HG   LYS  72          1HG       LYS  72  -7.242  10.122 -14.874
  571   1HD   LYS  72          2HD       LYS  72  -8.233   8.203 -14.290
  572   2HD   LYS  72          1HD       LYS  72  -8.614   8.798 -12.673
  573   1HE   LYS  72          2HE       LYS  72 -10.745   8.925 -13.287
  574   2HE   LYS  72          1HE       LYS  72 -10.298  10.203 -14.416
  575   1HZ   LYS  72          1HZ       LYS  72 -11.378   8.598 -15.699
  576   2HZ   LYS  72          2HZ       LYS  72 -10.584   7.309 -14.948
  577   3HZ   LYS  72          3HZ       LYS  72  -9.735   8.324 -16.001
  578    H    PHE  73           H        PHE  73  -4.554   9.506 -11.500
  579    HA   PHE  73           HA       PHE  73  -3.797  11.680  -9.683
  580   1HB   PHE  73          2HB       PHE  73  -3.729   8.725  -9.090
  581   2HB   PHE  73          1HB       PHE  73  -3.731  10.058  -7.944
  582    HD1  PHE  73           1HD      PHE  73  -5.981  11.454  -9.835
  583    HD2  PHE  73           2HD      PHE  73  -5.575   7.773  -7.738
  584    HE1  PHE  73           1HE      PHE  73  -8.427  11.292  -9.652
  585    HE2  PHE  73           2HE      PHE  73  -8.021   7.603  -7.556
  586    HZ   PHE  73           HZ       PHE  73  -9.451   9.364  -8.513
  587    H    GLY  74           H        GLY  74  -2.328   9.660 -11.987
  588   1HA   GLY  74          2HA       GLY  74   0.198   9.408 -10.610
  589   2HA   GLY  74          1HA       GLY  74  -0.141   8.934 -12.265
  590    H    LYS  75           H        LYS  75   0.388  11.796 -10.215
  591    HA   LYS  75           HA       LYS  75   2.095  12.920 -12.266
  592   1HB   LYS  75          2HB       LYS  75  -0.506  14.177 -11.427
  593   2HB   LYS  75          1HB       LYS  75   0.827  15.154 -12.028
  594   1HG   LYS  75          2HG       LYS  75   0.795  13.542 -14.045
  595   2HG   LYS  75          1HG       LYS  75  -0.818  13.116 -13.470
  596   1HD   LYS  75          2HD       LYS  75  -0.315  15.999 -13.599
  597   2HD   LYS  75          1HD       LYS  75  -0.240  15.185 -15.162
  598   1HE   LYS  75          2HE       LYS  75  -2.458  14.093 -14.478
  599   2HE   LYS  75          1HE       LYS  75  -2.531  15.334 -13.228
  600   1HZ   LYS  75          1HZ       LYS  75  -2.033  16.155 -16.000
  601   2HZ   LYS  75          2HZ       LYS  75  -2.822  16.987 -14.756
  602   3HZ   LYS  75          3HZ       LYS  75  -3.607  15.721 -15.556
  603    HA   PRO  76           HA       PRO  76   4.622  14.437  -8.997
  604   1HB   PRO  76          2HB       PRO  76   4.172  17.141 -10.210
  605   2HB   PRO  76          1HB       PRO  76   5.681  16.388  -9.674
  606   1HG   PRO  76          2HG       PRO  76   5.087  16.456 -12.252
  607   2HG   PRO  76          1HG       PRO  76   5.802  15.000 -11.535
  608   1HD   PRO  76          2HD       PRO  76   2.994  15.503 -12.399
  609   2HD   PRO  76          1HD       PRO  76   3.933  13.996 -12.427
  610    H    ASN  77           H        ASN  77   4.236  14.986  -6.953
  611    HA   ASN  77           HA       ASN  77   1.744  16.444  -6.370
  612   1HB   ASN  77          2HB       ASN  77   2.636  13.969  -5.468
  613   2HB   ASN  77          1HB       ASN  77   2.899  15.047  -4.101
  614   1HD2  ASN  77          1HD2      ASN  77   0.507  13.870  -6.384
  615   2HD2  ASN  77          2HD2      ASN  77  -0.868  14.172  -5.385
  616    H    LYS  78           H        LYS  78   1.829  17.447  -4.076
  617    HA   LYS  78           HA       LYS  78   4.168  19.213  -4.017
  618   1HB   LYS  78          2HB       LYS  78   1.830  20.161  -4.199
  619   2HB   LYS  78          1HB       LYS  78   1.546  19.578  -2.565
  620   1HG   LYS  78          2HG       LYS  78   2.121  21.785  -2.223
  621   2HG   LYS  78          1HG       LYS  78   3.653  20.948  -1.961
  622   1HD   LYS  78          2HD       LYS  78   4.427  21.536  -4.145
  623   2HD   LYS  78          1HD       LYS  78   2.841  22.163  -4.597
  624   1HE   LYS  78          2HE       LYS  78   4.179  24.050  -4.116
  625   2HE   LYS  78          1HE       LYS  78   3.110  23.841  -2.730
  626   1HZ   LYS  78          1HZ       LYS  78   5.594  24.282  -2.328
  627   2HZ   LYS  78          2HZ       LYS  78   5.808  22.652  -2.725
  628   3HZ   LYS  78          3HZ       LYS  78   4.831  23.080  -1.413
  629    H    ARG  79           H        ARG  79   2.568  16.711  -2.259
  630    HA   ARG  79           HA       ARG  79   3.582  17.279   0.324
  631   1HB   ARG  79          2HB       ARG  79   2.313  14.947  -1.017
  632   2HB   ARG  79          1HB       ARG  79   3.217  14.636   0.458
  633   1HG   ARG  79          2HG       ARG  79   1.019  14.951   1.160
  634   2HG   ARG  79          1HG       ARG  79   1.820  16.484   1.510
  635   1HD   ARG  79          2HD       ARG  79   0.968  17.087  -0.910
  636   2HD   ARG  79          1HD       ARG  79  -0.215  15.826  -0.563
  637    HE   ARG  79           HE       ARG  79  -1.249  17.255   0.891
  638   1HH1  ARG  79          1HH1      ARG  79   1.964  18.454   0.244
  639   2HH1  ARG  79          2HH1      ARG  79   1.713  19.945   1.089
  640   1HH2  ARG  79          1HH2      ARG  79  -1.580  19.214   2.003
  641   2HH2  ARG  79          2HH2      ARG  79  -0.299  20.377   2.088
  642    H    LYS  80           H        LYS  80   5.057  16.223  -2.504
  643    HA   LYS  80           HA       LYS  80   7.137  15.516  -3.019
  644   1HB   LYS  80          2HB       LYS  80   7.652  16.343  -0.162
  645   2HB   LYS  80          1HB       LYS  80   8.919  15.769  -1.239
  646   1HG   LYS  80          2HG       LYS  80   7.305  18.286  -1.414
  647   2HG   LYS  80          1HG       LYS  80   9.057  18.091  -1.367
  648   1HD   LYS  80          2HD       LYS  80   8.914  16.980  -3.606
  649   2HD   LYS  80          1HD       LYS  80   7.200  17.407  -3.651
  650   1HE   LYS  80          2HE       LYS  80   7.911  19.803  -3.319
  651   2HE   LYS  80          1HE       LYS  80   9.570  19.267  -3.582
  652   1HZ   LYS  80          1HZ       LYS  80   7.519  18.574  -5.564
  653   2HZ   LYS  80          2HZ       LYS  80   9.177  18.826  -5.778
  654   3HZ   LYS  80          3HZ       LYS  80   8.144  20.147  -5.552
  655    H    GLY  81           H        GLY  81   8.283  13.621  -3.066
  656   1HA   GLY  81          2HA       GLY  81   8.911  11.468  -2.338
  657   2HA   GLY  81          1HA       GLY  81   7.792  11.626  -0.990
  658    H    PHE  82           H        PHE  82   5.765  12.623  -3.120
  659    HA   PHE  82           HA       PHE  82   4.331  10.236  -3.406
  660   1HB   PHE  82          2HB       PHE  82   3.158  12.309  -3.523
  661   2HB   PHE  82          1HB       PHE  82   4.170  12.888  -4.842
  662    HD1  PHE  82           1HD      PHE  82   3.967  11.812  -7.091
  663    HD2  PHE  82           2HD      PHE  82   1.213  11.064  -3.936
  664    HE1  PHE  82           1HE      PHE  82   2.346  10.937  -8.720
  665    HE2  PHE  82           2HE      PHE  82  -0.412  10.188  -5.560
  666    HZ   PHE  82           HZ       PHE  82   0.156  10.119  -7.952
  667    H    SER  83           H        SER  83   6.263  12.051  -5.786
  668    HA   SER  83           HA       SER  83   5.903  10.431  -7.989
  669   1HB   SER  83          2HB       SER  83   8.606  11.600  -7.449
  670   2HB   SER  83          1HB       SER  83   7.701  11.531  -8.960
  671    HG   SER  83           HG       SER  83   7.317  13.550  -8.417
  672    H    GLU  84           H        GLU  84   8.391  10.133  -5.458
  673    HA   GLU  84           HA       GLU  84   9.861   8.034  -6.443
  674   1HB   GLU  84          2HB       GLU  84   9.156   8.955  -3.701
  675   2HB   GLU  84          1HB       GLU  84   9.881   7.361  -3.855
  676   1HG   GLU  84          2HG       GLU  84  11.121   9.780  -5.113
  677   2HG   GLU  84          1HG       GLU  84  11.426   9.343  -3.433
  678    H    GLY  85           H        GLY  85   6.641   7.996  -5.082
  679   1HA   GLY  85          2HA       GLY  85   6.498   5.154  -4.782
  680   2HA   GLY  85          1HA       GLY  85   5.145   6.276  -4.731
  681    H    LEU  86           H        LEU  86   5.793   7.426  -7.350
  682    HA   LEU  86           HA       LEU  86   4.201   5.775  -8.970
  683   1HB   LEU  86          2HB       LEU  86   6.058   8.059  -9.594
  684   2HB   LEU  86          1HB       LEU  86   5.175   7.223 -10.855
  685    HG   LEU  86           HG       LEU  86   3.971   8.749  -8.546
  686   1HD1  LEU  86          1HD1      LEU  86   3.221   9.561 -11.214
  687   2HD1  LEU  86          2HD1      LEU  86   4.967   9.656 -10.980
  688   3HD1  LEU  86          3HD1      LEU  86   3.882  10.517  -9.888
  689   1HD2  LEU  86          1HD2      LEU  86   2.295   7.268  -8.836
  690   2HD2  LEU  86          2HD2      LEU  86   2.845   6.794 -10.443
  691   3HD2  LEU  86          3HD2      LEU  86   1.922   8.282 -10.229
  692    H    TRP  87           H        TRP  87   7.709   6.206  -8.802
  693    HA   TRP  87           HA       TRP  87   8.371   4.505 -10.955
  694   1HB   TRP  87          2HB       TRP  87   9.984   6.090 -10.091
  695   2HB   TRP  87          1HB       TRP  87   9.954   5.326  -8.505
  696    HD1  TRP  87           HD       TRP  87  11.561   5.061 -11.911
  697    HE1  TRP  87           1HE      TRP  87  13.315   3.180 -11.885
  698    HE3  TRP  87           3HE      TRP  87  10.450   2.983  -7.375
  699    HZ2  TRP  87           2HZ      TRP  87  14.115   1.080 -10.168
  700    HZ3  TRP  87           3HZ      TRP  87  11.755   1.040  -6.614
  701    HH2  TRP  87           HH       TRP  87  13.548   0.109  -7.984
  702    H    GLU  88           H        GLU  88   8.114   3.892  -7.450
  703    HA   GLU  88           HA       GLU  88   8.993   1.227  -7.517
  704   1HB   GLU  88          2HB       GLU  88   7.712   3.013  -5.593
  705   2HB   GLU  88          1HB       GLU  88   7.228   1.336  -5.392
  706   1HG   GLU  88          2HG       GLU  88   9.085   1.018  -4.239
  707   2HG   GLU  88          1HG       GLU  88   9.986   1.243  -5.737
  708    H    ILE  89           H        ILE  89   5.650   2.507  -7.510
  709    HA   ILE  89           HA       ILE  89   4.289   0.115  -7.523
  710    HB   ILE  89           HB       ILE  89   3.281   2.393  -7.356
  711   1HG1  ILE  89          2HG1      ILE  89   1.548   1.323  -9.396
  712   2HG1  ILE  89          1HG1      ILE  89   2.208   0.017  -8.415
  713   1HG2  ILE  89          1HG2      ILE  89   2.600   2.840 -10.057
  714   2HG2  ILE  89          2HG2      ILE  89   4.351   2.651  -9.982
  715   3HG2  ILE  89          3HG2      ILE  89   3.552   3.863  -8.983
  716   1HD1  ILE  89          1HD1      ILE  89   1.489   1.949  -6.575
  717   2HD1  ILE  89          2HD1      ILE  89   0.608   0.467  -6.955
  718   3HD1  ILE  89          3HD1      ILE  89   0.191   1.974  -7.771
  719    H    GLU  90           H        GLU  90   6.086   1.583 -10.103
  720    HA   GLU  90           HA       GLU  90   5.005  -0.315 -12.050
  721   1HB   GLU  90          2HB       GLU  90   5.907   2.374 -12.200
  722   2HB   GLU  90          1HB       GLU  90   6.970   1.401 -13.207
  723   1HG   GLU  90          2HG       GLU  90   4.965   0.477 -14.337
  724   2HG   GLU  90          1HG       GLU  90   3.975   1.596 -13.401
  725    H    ASN  91           H        ASN  91   8.138   0.707 -10.707
  726    HA   ASN  91           HA       ASN  91   9.568  -1.308 -12.175
  727   1HB   ASN  91          2HB       ASN  91  10.258   0.917 -10.374
  728   2HB   ASN  91          1HB       ASN  91  11.346  -0.465 -10.294
  729   1HD2  ASN  91          1HD2      ASN  91   9.576   1.185 -12.894
  730   2HD2  ASN  91          2HD2      ASN  91  10.950   1.406 -13.917
  731    H    ASN  92           H        ASN  92   8.265  -1.000  -8.927
  732    HA   ASN  92           HA       ASN  92   8.645  -3.828  -8.512
  733   1HB   ASN  92          2HB       ASN  92  10.497  -1.913  -7.397
  734   2HB   ASN  92          1HB       ASN  92   9.642  -2.757  -6.109
  735   1HD2  ASN  92          1HD2      ASN  92  12.102  -3.306  -5.972
  736   2HD2  ASN  92          2HD2      ASN  92  12.540  -4.812  -6.696
  737    HA   PRO  93           HA       PRO  93   4.840  -2.250  -6.520
  738   1HB   PRO  93          2HB       PRO  93   3.200  -4.197  -7.360
  739   2HB   PRO  93          1HB       PRO  93   3.676  -2.865  -8.421
  740   1HG   PRO  93          2HG       PRO  93   4.725  -5.664  -8.308
  741   2HG   PRO  93          1HG       PRO  93   4.352  -4.664  -9.723
  742   1HD   PRO  93          2HD       PRO  93   6.883  -5.026  -8.711
  743   2HD   PRO  93          1HD       PRO  93   6.382  -3.611  -9.660
  744    H    THR  94           H        THR  94   6.693  -5.110  -6.189
  745    HA   THR  94           HA       THR  94   5.105  -5.984  -3.883
  746    HB   THR  94           HB       THR  94   6.535  -8.053  -4.021
  747    HG1  THR  94           1HG      THR  94   7.308  -6.979  -6.525
  748   1HG2  THR  94          1HG2      THR  94   5.584  -8.430  -6.581
  749   2HG2  THR  94          2HG2      THR  94   4.485  -7.237  -5.889
  750   3HG2  THR  94          3HG2      THR  94   4.731  -8.784  -5.078
  751    H    VAL  95           H        VAL  95   7.310  -3.769  -4.201
  752    HA   VAL  95           HA       VAL  95   9.500  -4.531  -2.621
  753    HB   VAL  95           HB       VAL  95   9.500  -2.510  -4.019
  754   1HG1  VAL  95          1HG1      VAL  95   7.794  -1.095  -3.948
  755   2HG1  VAL  95          2HG1      VAL  95   8.297  -0.605  -2.330
  756   3HG1  VAL  95          3HG1      VAL  95   7.131  -1.912  -2.533
  757   1HG2  VAL  95          1HG2      VAL  95  11.128  -2.704  -2.223
  758   2HG2  VAL  95          2HG2      VAL  95   9.992  -1.969  -1.091
  759   3HG2  VAL  95          3HG2      VAL  95  10.638  -1.023  -2.432
  760    H    LYS  96           H        LYS  96   9.976  -4.226  -0.450
  761    HA   LYS  96           HA       LYS  96   7.629  -3.909   1.294
  762   1HB   LYS  96          2HB       LYS  96  10.141  -5.537   1.604
  763   2HB   LYS  96          1HB       LYS  96   9.097  -5.172   2.971
  764   1HG   LYS  96          2HG       LYS  96   7.341  -6.446   2.127
  765   2HG   LYS  96          1HG       LYS  96   8.004  -6.447   0.492
  766   1HD   LYS  96          2HD       LYS  96   9.545  -8.087   0.974
  767   2HD   LYS  96          1HD       LYS  96   9.586  -7.690   2.694
  768   1HE   LYS  96          2HE       LYS  96   8.334  -9.546   2.905
  769   2HE   LYS  96          1HE       LYS  96   7.013  -8.482   2.418
  770   1HZ   LYS  96          1HZ       LYS  96   7.185  -9.232   0.189
  771   2HZ   LYS  96          2HZ       LYS  96   7.157 -10.613   1.167
  772   3HZ   LYS  96          3HZ       LYS  96   8.617 -10.079   0.501
  773    H    ALA  97           H        ALA  97   8.092  -3.020   3.476
  774    HA   ALA  97           HA       ALA  97   9.634  -0.593   3.213
  775   1HB   ALA  97          1HB       ALA  97   7.624  -0.200   4.291
  776   2HB   ALA  97          2HB       ALA  97   8.760  -0.291   5.638
  777   3HB   ALA  97          3HB       ALA  97   7.733  -1.673   5.255
  778    H    SER  98           H        SER  98  10.726   0.016   5.511
  779    HA   SER  98           HA       SER  98  12.912  -1.885   5.758
  780   1HB   SER  98          2HB       SER  98  12.650   0.794   7.133
  781   2HB   SER  98          1HB       SER  98  14.124  -0.130   6.842
  782    HG   SER  98           HG       SER  98  14.060   0.400   4.733
  783    H    GLY  99           H        GLY  99  13.860  -1.949   8.126
  784   1HA   GLY  99          2HA       GLY  99  13.285  -2.057  10.481
  785   2HA   GLY  99          1HA       GLY  99  11.640  -2.448  10.004
  786    H    TYR 100           H        TYR 100  14.892  -3.733   9.291
  787    HA   TYR 100           HA       TYR 100  14.110  -6.313  10.377
  788   1HB   TYR 100          2HB       TYR 100  13.435  -6.252   7.928
  789   2HB   TYR 100          1HB       TYR 100  15.151  -6.157   7.548
  790    HD1  TYR 100           1HD      TYR 100  12.454  -8.293   8.776
  791    HD2  TYR 100           2HD      TYR 100  16.610  -8.068   7.904
  792    HE1  TYR 100           1HE      TYR 100  12.602 -10.744   8.877
  793    HE2  TYR 100           2HE      TYR 100  16.771 -10.517   8.002
  794    HH   TYR 100           HH       TYR 100  14.302 -12.535   7.762
  795    H    GLN 101           H        GLN 101  15.722  -6.013  11.914
  796    HA   GLN 101           HA       GLN 101  18.466  -6.232  10.872
  797   1HB   GLN 101          2HB       GLN 101  17.383  -4.456  13.023
  798   2HB   GLN 101          1HB       GLN 101  19.035  -5.043  13.146
  799   1HG   GLN 101          2HG       GLN 101  19.162  -2.935  12.118
  800   2HG   GLN 101          1HG       GLN 101  19.415  -4.119  10.836
  801   1HE2  GLN 101          1HE2      GLN 101  16.560  -2.723  12.421
  802   2HE2  GLN 101          2HE2      GLN 101  15.775  -2.239  10.961
  803    H    SER 102           H        SER 102  16.560  -6.619  13.862
  804    HA   SER 102           HA       SER 102  16.489  -8.275  15.419
  805   1HB   SER 102          2HB       SER 102  17.280  -9.687  12.947
  806   2HB   SER 102          1HB       SER 102  17.656 -10.532  14.448
  807    HG   SER 102           HG       SER 102  15.628 -11.135  14.147
  808    H    SER 103           H        SER 103  19.490  -9.307  13.829
  809    HA   SER 103           HA       SER 103  20.909  -8.737  16.347
  810   1HB   SER 103          2HB       SER 103  22.532 -10.491  15.583
  811   2HB   SER 103          1HB       SER 103  20.905 -11.105  15.880
  812    HG   SER 103           HG       SER 103  21.864 -10.342  13.323
  813    H    GLN 104           H        GLN 104  22.208  -7.039  16.262
  814    HA   GLN 104           HA       GLN 104  23.026  -5.893  13.755
  815   1HB   GLN 104          2HB       GLN 104  22.414  -4.636  15.908
  816   2HB   GLN 104          1HB       GLN 104  24.023  -5.065  16.472
  817   1HG   GLN 104          2HG       GLN 104  24.230  -2.908  15.597
  818   2HG   GLN 104          1HG       GLN 104  24.899  -3.975  14.361
  819   1HE2  GLN 104          1HE2      GLN 104  23.734  -4.322  12.454
  820   2HE2  GLN 104          2HE2      GLN 104  22.477  -3.250  11.949
  821    H    LYS 105           H        LYS 105  25.054  -5.821  12.870
  822    HA   LYS 105           HA       LYS 105  27.289  -7.046  14.265
  823   1HB   LYS 105          2HB       LYS 105  25.745  -8.608  12.563
  824   2HB   LYS 105          1HB       LYS 105  27.108  -8.123  11.563
  825   1HG   LYS 105          2HG       LYS 105  28.469  -8.859  13.712
  826   2HG   LYS 105          1HG       LYS 105  27.033  -9.854  13.966
  827   1HD   LYS 105          2HD       LYS 105  27.300 -10.749  11.673
  828   2HD   LYS 105          1HD       LYS 105  28.790  -9.817  11.513
  829   1HE   LYS 105          2HE       LYS 105  29.370 -11.081  13.774
  830   2HE   LYS 105          1HE       LYS 105  28.227 -12.251  13.120
  831   1HZ   LYS 105          1HZ       LYS 105  30.898 -11.981  12.472
  832   2HZ   LYS 105          2HZ       LYS 105  30.052 -11.431  11.116
  833   3HZ   LYS 105          3HZ       LYS 105  29.760 -12.983  11.720
  834    H    LYS 106           H        LYS 106  29.338  -6.684  13.195
  835    HA   LYS 106           HA       LYS 106  29.257  -4.551  11.171
  836   1HB   LYS 106          2HB       LYS 106  30.161  -4.327  13.855
  837   2HB   LYS 106          1HB       LYS 106  31.577  -4.244  12.816
  838   1HG   LYS 106          2HG       LYS 106  30.993  -2.249  11.943
  839   2HG   LYS 106          1HG       LYS 106  29.266  -2.611  11.989
  840   1HD   LYS 106          2HD       LYS 106  29.016  -1.814  14.105
  841   2HD   LYS 106          1HD       LYS 106  30.642  -2.294  14.592
  842   1HE   LYS 106          2HE       LYS 106  31.152  -0.373  12.718
  843   2HE   LYS 106          1HE       LYS 106  29.677   0.233  13.469
  844   1HZ   LYS 106          1HZ       LYS 106  32.345   0.061  14.540
  845   2HZ   LYS 106          2HZ       LYS 106  31.156  -0.511  15.598
  846   3HZ   LYS 106          3HZ       LYS 106  31.060   1.065  14.992
  847    H    SER 107           H        SER 107  29.648  -7.409  10.861
  848    HA   SER 107           HA       SER 107  32.489  -7.607  10.177
  849   1HB   SER 107          2HB       SER 107  30.826  -9.427  11.357
  850   2HB   SER 107          1HB       SER 107  30.765  -9.943   9.671
  851    HG   SER 107           HG       SER 107  33.159  -9.793   9.801
  852    H    CYS 108           H        CYS 108  32.878  -6.690   8.250
  853    HA   CYS 108           HA       CYS 108  31.485  -7.778   5.929
  854   1HB   CYS 108          2HB       CYS 108  31.698  -4.825   6.537
  855   2HB   CYS 108          1HB       CYS 108  31.289  -5.467   4.950
  856    HG   CYS 108           HG       CYS 108  29.204  -6.623   6.409
  857    H    ALA 109           H        ALA 109  32.576  -6.599   3.880
  858    HA   ALA 109           HA       ALA 109  35.334  -5.937   4.147
  859   1HB   ALA 109          1HB       ALA 109  35.413  -8.381   4.580
  860   2HB   ALA 109          2HB       ALA 109  36.335  -7.886   3.160
  861   3HB   ALA 109          3HB       ALA 109  34.756  -8.649   2.965
  862    H    GLU 110           H        GLU 110  33.065  -4.810   2.876
  863    HA   GLU 110           HA       GLU 110  33.893  -4.977   0.052
  864   1HB   GLU 110          2HB       GLU 110  31.376  -5.564   1.101
  865   2HB   GLU 110          1HB       GLU 110  31.200  -3.952   0.422
  866   1HG   GLU 110          2HG       GLU 110  32.636  -5.686  -1.379
  867   2HG   GLU 110          1HG       GLU 110  31.078  -6.377  -0.931
  Start of MODEL   19
    1   1H    MET   1          1HT       MET   1 -24.226 -10.109   5.171
    2   2H    MET   1          2HT       MET   1 -24.457 -11.617   4.384
    3   3H    MET   1          3HT       MET   1 -25.674 -10.409   4.305
    4    HA   MET   1           HA       MET   1 -24.441  -9.069   2.935
    5   1HB   MET   1          2HB       MET   1 -22.209 -10.687   4.051
    6   2HB   MET   1          1HB       MET   1 -22.012 -10.078   2.414
    7   1HG   MET   1          2HG       MET   1 -21.100  -8.351   3.557
    8   2HG   MET   1          1HG       MET   1 -22.780  -7.819   3.542
    9   1HE   MET   1          1HE       MET   1 -21.309 -10.535   6.717
   10   2HE   MET   1          2HE       MET   1 -20.030  -9.328   6.575
   11   3HE   MET   1          3HE       MET   1 -20.541 -10.243   5.156
   12    H    SER   2           H        SER   2 -24.096  -9.393   0.678
   13    HA   SER   2           HA       SER   2 -24.106 -12.083  -0.380
   14   1HB   SER   2          2HB       SER   2 -26.564 -10.513  -0.131
   15   2HB   SER   2          1HB       SER   2 -26.252 -11.051  -1.782
   16    HG   SER   2           HG       SER   2 -25.929 -13.189  -0.816
   17    H    ARG   3           H        ARG   3 -25.301  -9.019  -1.728
   18    HA   ARG   3           HA       ARG   3 -23.101  -9.134  -3.684
   19   1HB   ARG   3          2HB       ARG   3 -24.611  -7.846  -5.187
   20   2HB   ARG   3          1HB       ARG   3 -25.220  -9.444  -4.780
   21   1HG   ARG   3          2HG       ARG   3 -26.154  -7.422  -2.926
   22   2HG   ARG   3          1HG       ARG   3 -26.595  -7.055  -4.595
   23   1HD   ARG   3          2HD       ARG   3 -27.168  -9.707  -4.469
   24   2HD   ARG   3          1HD       ARG   3 -27.525  -9.203  -2.817
   25    HE   ARG   3           HE       ARG   3 -28.761  -7.348  -4.411
   26   1HH1  ARG   3          1HH1      ARG   3 -28.906 -10.818  -4.059
   27   2HH1  ARG   3          2HH1      ARG   3 -30.565 -10.922  -4.544
   28   1HH2  ARG   3          1HH2      ARG   3 -30.943  -7.484  -5.049
   29   2HH2  ARG   3          2HH2      ARG   3 -31.721  -9.031  -5.107
   30    H    SER   4           H        SER   4 -22.618  -6.906  -4.650
   31    HA   SER   4           HA       SER   4 -22.352  -5.009  -2.421
   32   1HB   SER   4          2HB       SER   4 -20.405  -4.131  -3.536
   33   2HB   SER   4          1HB       SER   4 -20.260  -5.889  -3.502
   34    HG   SER   4           HG       SER   4 -21.114  -4.296  -5.691
   35    H    ASN   5           H        ASN   5 -21.844  -2.679  -3.610
   36    HA   ASN   5           HA       ASN   5 -23.817  -2.122  -5.660
   37   1HB   ASN   5          2HB       ASN   5 -25.062  -2.045  -3.477
   38   2HB   ASN   5          1HB       ASN   5 -24.010  -0.719  -2.990
   39   1HD2  ASN   5          1HD2      ASN   5 -26.906  -1.501  -4.375
   40   2HD2  ASN   5          2HD2      ASN   5 -27.254  -0.001  -5.159
   41    H    ARG   6           H        ARG   6 -22.322  -1.255  -7.005
   42    HA   ARG   6           HA       ARG   6 -20.871   0.253  -7.890
   43   1HB   ARG   6          2HB       ARG   6 -22.743   1.722  -6.528
   44   2HB   ARG   6          1HB       ARG   6 -21.241   2.317  -5.834
   45   1HG   ARG   6          2HG       ARG   6 -20.511   2.502  -8.340
   46   2HG   ARG   6          1HG       ARG   6 -22.253   2.519  -8.625
   47   1HD   ARG   6          2HD       ARG   6 -22.544   4.532  -7.574
   48   2HD   ARG   6          1HD       ARG   6 -21.146   4.307  -6.521
   49    HE   ARG   6           HE       ARG   6 -20.010   4.561  -8.945
   50   1HH1  ARG   6          1HH1      ARG   6 -22.401   6.475  -7.269
   51   2HH1  ARG   6          2HH1      ARG   6 -21.929   7.957  -8.031
   52   1HH2  ARG   6          1HH2      ARG   6 -19.388   6.510  -9.946
   53   2HH2  ARG   6          2HH2      ARG   6 -20.220   7.977  -9.550
   54    H    GLN   7           H        GLN   7 -19.964  -1.603  -5.824
   55    HA   GLN   7           HA       GLN   7 -17.561  -0.133  -4.974
   56   1HB   GLN   7          2HB       GLN   7 -19.256  -0.699  -3.112
   57   2HB   GLN   7          1HB       GLN   7 -18.739  -2.365  -3.336
   58   1HG   GLN   7          2HG       GLN   7 -16.345  -1.216  -3.077
   59   2HG   GLN   7          1HG       GLN   7 -17.309  -0.075  -2.142
   60   1HE2  GLN   7          1HE2      GLN   7 -15.892  -3.184  -2.248
   61   2HE2  GLN   7          2HE2      GLN   7 -16.386  -3.713  -0.679
   62    H    LYS   8           H        LYS   8 -15.624  -1.330  -4.934
   63    HA   LYS   8           HA       LYS   8 -15.752  -3.893  -6.386
   64   1HB   LYS   8          2HB       LYS   8 -14.821  -2.037  -7.742
   65   2HB   LYS   8          1HB       LYS   8 -13.565  -1.811  -6.533
   66   1HG   LYS   8          2HG       LYS   8 -13.316  -4.466  -7.108
   67   2HG   LYS   8          1HG       LYS   8 -13.789  -3.792  -8.668
   68   1HD   LYS   8          2HD       LYS   8 -11.738  -2.265  -7.211
   69   2HD   LYS   8          1HD       LYS   8 -11.241  -3.872  -7.747
   70   1HE   LYS   8          2HE       LYS   8 -10.813  -1.963  -9.356
   71   2HE   LYS   8          1HE       LYS   8 -11.667  -3.362 -10.007
   72   1HZ   LYS   8          1HZ       LYS   8 -13.617  -2.213 -10.171
   73   2HZ   LYS   8          2HZ       LYS   8 -12.522  -0.956 -10.454
   74   3HZ   LYS   8          3HZ       LYS   8 -13.234  -1.129  -8.930
   75    H    GLU   9           H        GLU   9 -14.370  -5.537  -5.762
   76    HA   GLU   9           HA       GLU   9 -13.313  -5.279  -3.052
   77   1HB   GLU   9          2HB       GLU   9 -13.898  -7.666  -4.802
   78   2HB   GLU   9          1HB       GLU   9 -13.067  -7.800  -3.259
   79   1HG   GLU   9          2HG       GLU   9 -15.461  -6.272  -2.926
   80   2HG   GLU   9          1HG       GLU   9 -15.831  -7.788  -3.746
   81    H    TYR  10           H        TYR  10 -11.186  -5.599  -2.520
   82    HA   TYR  10           HA       TYR  10  -9.306  -5.837  -4.785
   83   1HB   TYR  10          2HB       TYR  10  -8.766  -4.424  -2.167
   84   2HB   TYR  10          1HB       TYR  10  -7.789  -4.382  -3.633
   85    HD1  TYR  10           1HD      TYR  10  -8.479  -3.040  -5.549
   86    HD2  TYR  10           2HD      TYR  10 -10.778  -3.092  -1.971
   87    HE1  TYR  10           1HE      TYR  10  -9.703  -1.049  -6.314
   88    HE2  TYR  10           2HE      TYR  10 -12.007  -1.100  -2.724
   89    HH   TYR  10           HH       TYR  10 -11.549   0.850  -4.327
   90    H    LYS  11           H        LYS  11  -7.219  -6.848  -4.272
   91    HA   LYS  11           HA       LYS  11  -7.322  -8.657  -1.969
   92   1HB   LYS  11          2HB       LYS  11  -6.974  -9.406  -4.853
   93   2HB   LYS  11          1HB       LYS  11  -6.297 -10.409  -3.578
   94   1HG   LYS  11          2HG       LYS  11  -8.324 -11.421  -3.928
   95   2HG   LYS  11          1HG       LYS  11  -8.715 -10.317  -2.607
   96   1HD   LYS  11          2HD       LYS  11 -10.437  -9.794  -3.992
   97   2HD   LYS  11          1HD       LYS  11  -9.228  -8.698  -4.662
   98   1HE   LYS  11          2HE       LYS  11  -9.401 -11.473  -5.730
   99   2HE   LYS  11          1HE       LYS  11 -10.623 -10.300  -6.215
  100   1HZ   LYS  11          1HZ       LYS  11  -9.155  -9.715  -7.767
  101   2HZ   LYS  11          2HZ       LYS  11  -7.868 -10.503  -7.002
  102   3HZ   LYS  11          3HZ       LYS  11  -8.301  -8.938  -6.527
  103    H    CYS  12           H        CYS  12  -5.216  -9.621  -1.442
  104    HA   CYS  12           HA       CYS  12  -3.195  -7.768  -1.160
  105   1HB   CYS  12          2HB       CYS  12  -3.133 -10.782  -1.153
  106   2HB   CYS  12          1HB       CYS  12  -1.697  -9.821  -0.813
  107    HG   CYS  12           HG       CYS  12  -2.903 -10.449   1.425
  108    H    GLY  13           H        GLY  13  -1.762  -6.877  -2.544
  109   1HA   GLY  13          2HA       GLY  13  -0.016  -7.095  -4.165
  110   2HA   GLY  13          1HA       GLY  13  -0.883  -8.455  -4.858
  111    H    ASP  14           H        ASP  14  -3.370  -6.546  -4.475
  112    HA   ASP  14           HA       ASP  14  -3.401  -5.684  -7.191
  113   1HB   ASP  14          2HB       ASP  14  -5.295  -5.941  -5.047
  114   2HB   ASP  14          1HB       ASP  14  -5.457  -4.349  -5.776
  115    H    LEU  15           H        LEU  15  -3.181  -3.668  -8.066
  116    HA   LEU  15           HA       LEU  15  -1.880  -1.683  -6.372
  117   1HB   LEU  15          2HB       LEU  15  -2.265  -1.728  -9.368
  118   2HB   LEU  15          1HB       LEU  15  -1.295  -0.570  -8.477
  119    HG   LEU  15           HG       LEU  15  -0.749  -3.511  -8.846
  120   1HD1  LEU  15          1HD1      LEU  15   1.326  -2.692  -9.865
  121   2HD1  LEU  15          2HD1      LEU  15   0.775  -1.033  -9.632
  122   3HD1  LEU  15          3HD1      LEU  15  -0.105  -2.110 -10.716
  123   1HD2  LEU  15          1HD2      LEU  15   0.191  -1.623  -6.785
  124   2HD2  LEU  15          2HD2      LEU  15   1.436  -2.597  -7.567
  125   3HD2  LEU  15          3HD2      LEU  15   0.084  -3.383  -6.750
  126    H    VAL  16           H        VAL  16  -3.050  -0.158  -5.456
  127    HA   VAL  16           HA       VAL  16  -5.273   1.024  -6.951
  128    HB   VAL  16           HB       VAL  16  -6.666   1.067  -4.903
  129   1HG1  VAL  16          1HG1      VAL  16  -6.441  -1.776  -5.052
  130   2HG1  VAL  16          2HG1      VAL  16  -6.176  -1.090  -6.655
  131   3HG1  VAL  16          3HG1      VAL  16  -7.654  -0.718  -5.771
  132   1HG2  VAL  16          1HG2      VAL  16  -6.098  -0.471  -3.060
  133   2HG2  VAL  16          2HG2      VAL  16  -4.931   0.840  -3.228
  134   3HG2  VAL  16          3HG2      VAL  16  -4.535  -0.773  -3.819
  135    H    PHE  17           H        PHE  17  -6.146   2.973  -5.716
  136    HA   PHE  17           HA       PHE  17  -3.868   4.530  -4.669
  137   1HB   PHE  17          2HB       PHE  17  -6.165   5.242  -6.450
  138   2HB   PHE  17          1HB       PHE  17  -5.501   6.482  -5.392
  139    HD1  PHE  17           1HD      PHE  17  -2.750   6.312  -5.410
  140    HD2  PHE  17           2HD      PHE  17  -5.403   5.363  -8.591
  141    HE1  PHE  17           1HE      PHE  17  -0.948   6.721  -7.026
  142    HE2  PHE  17           2HE      PHE  17  -3.610   5.773 -10.218
  143    HZ   PHE  17           HZ       PHE  17  -1.373   6.455  -9.439
  144    H    ALA  18           H        ALA  18  -4.081   5.511  -2.692
  145    HA   ALA  18           HA       ALA  18  -6.642   5.099  -1.307
  146   1HB   ALA  18          1HB       ALA  18  -3.864   4.656  -0.509
  147   2HB   ALA  18          2HB       ALA  18  -5.351   3.934   0.104
  148   3HB   ALA  18          3HB       ALA  18  -4.830   5.513   0.692
  149    H    LYS  19           H        LYS  19  -7.762   6.830  -0.763
  150    HA   LYS  19           HA       LYS  19  -6.519   9.456  -0.946
  151   1HB   LYS  19          2HB       LYS  19  -8.695   8.978  -2.079
  152   2HB   LYS  19          1HB       LYS  19  -9.424   8.759  -0.495
  153   1HG   LYS  19          2HG       LYS  19  -9.958  10.948  -1.207
  154   2HG   LYS  19          1HG       LYS  19  -8.726  11.106   0.047
  155   1HD   LYS  19          2HD       LYS  19  -7.125  11.814  -1.424
  156   2HD   LYS  19          1HD       LYS  19  -7.824  10.926  -2.779
  157   1HE   LYS  19          2HE       LYS  19  -9.327  12.586  -3.269
  158   2HE   LYS  19          1HE       LYS  19  -9.373  13.183  -1.611
  159   1HZ   LYS  19          1HZ       LYS  19  -8.202  14.597  -3.360
  160   2HZ   LYS  19          2HZ       LYS  19  -6.945  13.468  -3.270
  161   3HZ   LYS  19          3HZ       LYS  19  -7.396  14.344  -1.895
  162    H    MET  20           H        MET  20  -5.987  10.653   0.751
  163    HA   MET  20           HA       MET  20  -7.106   9.958   3.384
  164   1HB   MET  20          2HB       MET  20  -4.224  10.646   2.782
  165   2HB   MET  20          1HB       MET  20  -4.896  10.423   4.390
  166   1HG   MET  20          2HG       MET  20  -4.393   8.278   4.252
  167   2HG   MET  20          1HG       MET  20  -5.581   8.120   2.959
  168   1HE   MET  20          1HE       MET  20  -1.461   9.228   3.148
  169   2HE   MET  20          2HE       MET  20  -1.236   7.499   2.882
  170   3HE   MET  20          3HE       MET  20  -2.254   8.062   4.207
  171    H    LYS  21           H        LYS  21  -7.414  11.670   4.821
  172    HA   LYS  21           HA       LYS  21  -8.021  14.170   3.662
  173   1HB   LYS  21          2HB       LYS  21  -8.442  14.908   5.981
  174   2HB   LYS  21          1HB       LYS  21  -9.214  13.372   5.617
  175   1HG   LYS  21          2HG       LYS  21  -7.290  12.230   6.727
  176   2HG   LYS  21          1HG       LYS  21  -6.715  13.821   7.228
  177   1HD   LYS  21          2HD       LYS  21  -9.238  13.997   8.089
  178   2HD   LYS  21          1HD       LYS  21  -9.034  12.246   8.185
  179   1HE   LYS  21          2HE       LYS  21  -6.793  12.880   9.381
  180   2HE   LYS  21          1HE       LYS  21  -7.614  14.413   9.669
  181   1HZ   LYS  21          1HZ       LYS  21  -8.935  11.862  10.337
  182   2HZ   LYS  21          2HZ       LYS  21  -9.215  13.405  10.974
  183   3HZ   LYS  21          3HZ       LYS  21  -7.819  12.553  11.406
  184    H    GLY  22           H        GLY  22  -6.622  15.683   3.042
  185   1HA   GLY  22          2HA       GLY  22  -5.010  17.356   3.604
  186   2HA   GLY  22          1HA       GLY  22  -4.306  16.240   4.764
  187    H    TYR  23           H        TYR  23  -4.898  14.424   2.098
  188    HA   TYR  23           HA       TYR  23  -2.538  15.208   0.586
  189   1HB   TYR  23          2HB       TYR  23  -2.669  12.341   1.460
  190   2HB   TYR  23          1HB       TYR  23  -1.280  13.279   0.923
  191    HD1  TYR  23           1HD      TYR  23  -3.075  12.029   3.738
  192    HD2  TYR  23           2HD      TYR  23  -0.417  15.110   2.502
  193    HE1  TYR  23           1HE      TYR  23  -2.440  12.413   6.082
  194    HE2  TYR  23           2HE      TYR  23   0.227  15.504   4.842
  195    HH   TYR  23           HH       TYR  23   0.247  14.261   6.981
  196    HA   PRO  24           HA       PRO  24  -5.030  13.569  -2.675
  197   1HB   PRO  24          2HB       PRO  24  -3.235  13.415  -4.656
  198   2HB   PRO  24          1HB       PRO  24  -3.736  14.973  -3.987
  199   1HG   PRO  24          2HG       PRO  24  -1.250  13.395  -3.464
  200   2HG   PRO  24          1HG       PRO  24  -1.445  15.145  -3.671
  201   1HD   PRO  24          2HD       PRO  24  -1.231  13.866  -1.232
  202   2HD   PRO  24          1HD       PRO  24  -1.975  15.458  -1.474
  203    H    HIS  25           H        HIS  25  -5.180  11.755  -4.248
  204    HA   HIS  25           HA       HIS  25  -4.977   9.265  -3.114
  205   1HB   HIS  25          2HB       HIS  25  -4.803   9.951  -6.059
  206   2HB   HIS  25          1HB       HIS  25  -5.180   8.360  -5.408
  207    HD1  HIS  25           1HD      HIS  25  -6.625  11.812  -5.769
  208    HD2  HIS  25           2HD      HIS  25  -7.804   8.006  -4.590
  209    HE1  HIS  25           1HE      HIS  25  -9.128  11.921  -5.549
  210    HE2  HIS  25           2HE      HIS  25  -9.812   9.626  -4.765
  211    H    TRP  26           H        TRP  26  -3.199   8.237  -2.383
  212    HA   TRP  26           HA       TRP  26  -0.632   8.689  -3.714
  213   1HB   TRP  26          2HB       TRP  26  -1.167   8.831  -1.115
  214   2HB   TRP  26          1HB       TRP  26  -0.859   7.101  -1.203
  215    HD1  TRP  26           HD       TRP  26   1.667   6.412  -2.177
  216    HE1  TRP  26           1HE      TRP  26   3.915   7.609  -1.774
  217    HE3  TRP  26           3HE      TRP  26  -0.079  11.009  -0.773
  218    HZ2  TRP  26           2HZ      TRP  26   4.818  10.162  -0.975
  219    HZ3  TRP  26           3HZ      TRP  26   1.529  12.763  -0.210
  220    HH2  TRP  26           HH       TRP  26   3.915  12.352  -0.308
  221    HA   PRO  27           HA       PRO  27  -0.896   4.754  -5.813
  222   1HB   PRO  27          2HB       PRO  27   1.866   4.385  -5.991
  223   2HB   PRO  27          1HB       PRO  27   0.869   5.241  -7.171
  224   1HG   PRO  27          2HG       PRO  27   2.553   6.331  -4.960
  225   2HG   PRO  27          1HG       PRO  27   2.281   6.976  -6.590
  226   1HD   PRO  27          2HD       PRO  27   1.072   8.040  -4.450
  227   2HD   PRO  27          1HD       PRO  27   0.233   7.910  -6.011
  228    H    ALA  28           H        ALA  28  -1.403   2.977  -4.701
  229    HA   ALA  28           HA       ALA  28   0.534   1.936  -2.774
  230   1HB   ALA  28          1HB       ALA  28  -1.907   3.229  -2.078
  231   2HB   ALA  28          2HB       ALA  28  -0.665   2.553  -1.022
  232   3HB   ALA  28          3HB       ALA  28  -1.986   1.534  -1.593
  233    H    ARG  29           H        ARG  29  -0.360  -0.208  -1.830
  234    HA   ARG  29           HA       ARG  29  -1.834  -1.782  -3.798
  235   1HB   ARG  29          2HB       ARG  29   0.525  -1.988  -4.454
  236   2HB   ARG  29          1HB       ARG  29   0.940  -2.502  -2.826
  237   1HG   ARG  29          2HG       ARG  29  -0.714  -4.427  -3.237
  238   2HG   ARG  29          1HG       ARG  29  -0.574  -3.986  -4.939
  239   1HD   ARG  29          2HD       ARG  29   2.044  -4.062  -4.030
  240   2HD   ARG  29          1HD       ARG  29   1.270  -5.427  -3.228
  241    HE   ARG  29           HE       ARG  29   0.740  -5.243  -6.057
  242   1HH1  ARG  29          1HH1      ARG  29   2.861  -6.522  -3.594
  243   2HH1  ARG  29          2HH1      ARG  29   3.453  -7.805  -4.596
  244   1HH2  ARG  29          1HH2      ARG  29   1.514  -6.934  -7.370
  245   2HH2  ARG  29          2HH2      ARG  29   2.688  -8.040  -6.737
  246    H    ILE  30           H        ILE  30  -2.535  -3.873  -2.931
  247    HA   ILE  30           HA       ILE  30  -3.171  -3.681  -0.109
  248    HB   ILE  30           HB       ILE  30  -3.818  -5.947  -1.997
  249   1HG1  ILE  30          2HG1      ILE  30  -4.652  -3.783  -2.868
  250   2HG1  ILE  30          1HG1      ILE  30  -5.961  -4.859  -2.393
  251   1HG2  ILE  30          1HG2      ILE  30  -5.537  -6.516  -0.432
  252   2HG2  ILE  30          2HG2      ILE  30  -5.212  -5.071   0.525
  253   3HG2  ILE  30          3HG2      ILE  30  -4.016  -6.365   0.450
  254   1HD1  ILE  30          1HD1      ILE  30  -6.238  -2.456  -1.749
  255   2HD1  ILE  30          2HD1      ILE  30  -4.900  -2.679  -0.621
  256   3HD1  ILE  30          3HD1      ILE  30  -6.384  -3.613  -0.426
  257    H    ASP  31           H        ASP  31  -2.297  -4.909   1.522
  258    HA   ASP  31           HA       ASP  31  -0.257  -6.877   0.747
  259   1HB   ASP  31          2HB       ASP  31  -0.083  -4.892   3.017
  260   2HB   ASP  31          1HB       ASP  31   1.102  -6.149   2.672
  261    H    GLU  32           H        GLU  32  -2.979  -6.180   2.731
  262    HA   GLU  32           HA       GLU  32  -3.107  -8.882   3.629
  263   1HB   GLU  32          2HB       GLU  32  -1.464  -7.549   5.204
  264   2HB   GLU  32          1HB       GLU  32  -2.964  -6.960   5.909
  265   1HG   GLU  32          2HG       GLU  32  -3.545  -9.008   6.739
  266   2HG   GLU  32          1HG       GLU  32  -2.628  -9.887   5.517
  267    H    MET  33           H        MET  33  -5.080  -9.366   4.766
  268    HA   MET  33           HA       MET  33  -7.036  -7.277   5.104
  269   1HB   MET  33          2HB       MET  33  -8.678  -8.424   3.566
  270   2HB   MET  33          1HB       MET  33  -7.366  -7.553   2.782
  271   1HG   MET  33          2HG       MET  33  -6.228  -9.556   2.253
  272   2HG   MET  33          1HG       MET  33  -7.285 -10.510   3.293
  273   1HE   MET  33          1HE       MET  33  -9.355  -8.277  -0.089
  274   2HE   MET  33          2HE       MET  33  -7.600  -8.104  -0.052
  275   3HE   MET  33          3HE       MET  33  -8.565  -7.605   1.335
  276    HA   PRO  34           HA       PRO  34  -8.735 -10.049   8.067
  277   1HB   PRO  34          2HB       PRO  34 -11.483  -9.442   7.253
  278   2HB   PRO  34          1HB       PRO  34 -10.645  -9.025   8.750
  279   1HG   PRO  34          2HG       PRO  34 -11.288  -7.172   6.898
  280   2HG   PRO  34          1HG       PRO  34  -9.831  -7.047   7.900
  281   1HD   PRO  34          2HD       PRO  34 -10.105  -7.957   5.058
  282   2HD   PRO  34          1HD       PRO  34  -8.862  -6.922   5.795
  283    H    GLU  35           H        GLU  35  -8.822 -12.208   7.980
  284    HA   GLU  35           HA       GLU  35 -10.783 -13.496   6.323
  285   1HB   GLU  35          2HB       GLU  35  -9.261 -14.845   5.029
  286   2HB   GLU  35          1HB       GLU  35  -8.910 -13.144   4.764
  287   1HG   GLU  35          2HG       GLU  35  -6.812 -13.447   5.375
  288   2HG   GLU  35          1HG       GLU  35  -7.326 -14.076   6.939
  289    H    ALA  36           H        ALA  36  -8.269 -13.721   8.735
  290    HA   ALA  36           HA       ALA  36  -9.681 -15.748  10.135
  291   1HB   ALA  36          1HB       ALA  36  -8.195 -16.801   8.129
  292   2HB   ALA  36          2HB       ALA  36  -8.569 -17.644   9.633
  293   3HB   ALA  36          3HB       ALA  36  -7.026 -16.811   9.448
  294    H    ALA  37           H        ALA  37  -6.694 -14.004   9.570
  295    HA   ALA  37           HA       ALA  37  -6.494 -13.541  12.437
  296   1HB   ALA  37          1HB       ALA  37  -4.895 -15.406  11.391
  297   2HB   ALA  37          2HB       ALA  37  -4.385 -14.343  12.702
  298   3HB   ALA  37          3HB       ALA  37  -3.923 -13.976  11.039
  299    H    VAL  38           H        VAL  38  -7.016 -11.425  12.350
  300    HA   VAL  38           HA       VAL  38  -5.078  -9.639  11.126
  301    HB   VAL  38           HB       VAL  38  -6.901  -8.270  10.074
  302   1HG1  VAL  38          1HG1      VAL  38  -5.399 -10.203   9.015
  303   2HG1  VAL  38          2HG1      VAL  38  -6.597  -9.312   8.076
  304   3HG1  VAL  38          3HG1      VAL  38  -6.991 -10.906   8.720
  305   1HG2  VAL  38          1HG2      VAL  38  -8.643 -10.662   9.954
  306   2HG2  VAL  38          2HG2      VAL  38  -9.066  -8.950   9.968
  307   3HG2  VAL  38          3HG2      VAL  38  -8.629  -9.762  11.471
  308    H    LYS  39           H        LYS  39  -6.403 -10.436  13.827
  309    HA   LYS  39           HA       LYS  39  -7.053  -9.433  15.764
  310   1HB   LYS  39          2HB       LYS  39  -5.581  -7.016  14.726
  311   2HB   LYS  39          1HB       LYS  39  -5.796  -7.516  16.399
  312   1HG   LYS  39          2HG       LYS  39  -4.418  -9.442  14.644
  313   2HG   LYS  39          1HG       LYS  39  -3.555  -7.943  14.995
  314   1HD   LYS  39          2HD       LYS  39  -2.934  -9.552  16.651
  315   2HD   LYS  39          1HD       LYS  39  -3.982  -8.361  17.424
  316   1HE   LYS  39          2HE       LYS  39  -5.793  -9.833  17.506
  317   2HE   LYS  39          1HE       LYS  39  -5.097 -10.901  16.289
  318   1HZ   LYS  39          1HZ       LYS  39  -4.531 -12.113  18.071
  319   2HZ   LYS  39          2HZ       LYS  39  -4.643 -10.813  19.146
  320   3HZ   LYS  39          3HZ       LYS  39  -3.248 -11.020  18.215
  321    H    SER  40           H        SER  40  -9.280  -9.414  15.014
  322    HA   SER  40           HA       SER  40 -11.317  -8.439  14.814
  323   1HB   SER  40          2HB       SER  40 -10.617  -7.162  16.783
  324   2HB   SER  40          1HB       SER  40  -9.843  -5.963  15.749
  325    HG   SER  40           HG       SER  40 -11.961  -5.595  14.836
  326    H    THR  41           H        THR  41  -9.483  -5.528  13.933
  327    HA   THR  41           HA       THR  41  -9.327  -4.349  11.986
  328    HB   THR  41           HB       THR  41 -10.448  -6.691  10.468
  329    HG1  THR  41           1HG      THR  41  -7.758  -6.413  11.306
  330   1HG2  THR  41          1HG2      THR  41  -8.290  -5.799   9.103
  331   2HG2  THR  41          2HG2      THR  41  -8.888  -4.302   9.818
  332   3HG2  THR  41          3HG2      THR  41  -9.950  -5.283   8.808
  333    H    ALA  42           H        ALA  42 -10.796  -2.774  12.137
  334    HA   ALA  42           HA       ALA  42 -13.615  -3.228  12.068
  335   1HB   ALA  42          1HB       ALA  42 -12.306  -1.311  13.211
  336   2HB   ALA  42          2HB       ALA  42 -13.856  -0.949  12.450
  337   3HB   ALA  42          3HB       ALA  42 -12.351  -0.556  11.618
  338    H    ASN  43           H        ASN  43 -13.051  -4.485   9.927
  339    HA   ASN  43           HA       ASN  43 -13.183  -4.670   7.686
  340   1HB   ASN  43          2HB       ASN  43 -15.037  -3.533   6.635
  341   2HB   ASN  43          1HB       ASN  43 -15.504  -4.019   8.260
  342   1HD2  ASN  43          1HD2      ASN  43 -15.842  -2.462   9.826
  343   2HD2  ASN  43          2HD2      ASN  43 -16.013  -0.786   9.442
  344    H    LYS  44           H        LYS  44 -10.905  -3.520   8.214
  345    HA   LYS  44           HA       LYS  44 -10.651  -1.466   6.123
  346   1HB   LYS  44          2HB       LYS  44  -8.709  -1.345   8.354
  347   2HB   LYS  44          1HB       LYS  44  -9.435  -0.045   7.420
  348   1HG   LYS  44          2HG       LYS  44 -11.331   0.027   8.754
  349   2HG   LYS  44          1HG       LYS  44 -11.060  -1.597   9.388
  350   1HD   LYS  44          2HD       LYS  44 -10.548   0.033  11.097
  351   2HD   LYS  44          1HD       LYS  44  -9.063  -0.765  10.579
  352   1HE   LYS  44          2HE       LYS  44  -8.284   1.342  10.450
  353   2HE   LYS  44          1HE       LYS  44  -9.099   1.330   8.886
  354   1HZ   LYS  44          1HZ       LYS  44  -9.759   3.286  10.012
  355   2HZ   LYS  44          2HZ       LYS  44 -10.111   2.448  11.438
  356   3HZ   LYS  44          3HZ       LYS  44 -11.085   2.236  10.072
  357    H    TYR  45           H        TYR  45  -8.957  -1.664   4.755
  358    HA   TYR  45           HA       TYR  45  -7.423  -4.157   4.928
  359   1HB   TYR  45          2HB       TYR  45  -7.653  -2.193   2.631
  360   2HB   TYR  45          1HB       TYR  45  -6.905  -3.786   2.571
  361    HD1  TYR  45           1HD      TYR  45  -8.198  -5.712   2.148
  362    HD2  TYR  45           2HD      TYR  45 -10.137  -2.035   3.055
  363    HE1  TYR  45           1HE      TYR  45 -10.362  -6.710   1.542
  364    HE2  TYR  45           2HE      TYR  45 -12.305  -3.023   2.452
  365    HH   TYR  45           HH       TYR  45 -13.149  -4.890   1.034
  366    H    GLN  46           H        GLN  46  -5.117  -4.150   4.498
  367    HA   GLN  46           HA       GLN  46  -3.826  -1.719   5.529
  368   1HB   GLN  46          2HB       GLN  46  -3.392  -4.520   5.966
  369   2HB   GLN  46          1HB       GLN  46  -1.942  -3.832   5.249
  370   1HG   GLN  46          2HG       GLN  46  -2.362  -1.978   7.092
  371   2HG   GLN  46          1HG       GLN  46  -3.183  -3.321   7.888
  372   1HE2  GLN  46          1HE2      GLN  46  -1.191  -2.488   9.276
  373   2HE2  GLN  46          2HE2      GLN  46   0.222  -3.470   9.115
  374    H    VAL  47           H        VAL  47  -3.333  -0.384   3.907
  375    HA   VAL  47           HA       VAL  47  -2.328  -1.508   1.399
  376    HB   VAL  47           HB       VAL  47  -2.794   0.604   0.366
  377   1HG1  VAL  47          1HG1      VAL  47  -5.300   0.835   1.390
  378   2HG1  VAL  47          2HG1      VAL  47  -4.851  -0.785   1.923
  379   3HG1  VAL  47          3HG1      VAL  47  -4.802  -0.376   0.207
  380   1HG2  VAL  47          1HG2      VAL  47  -2.370   2.400   1.655
  381   2HG2  VAL  47          2HG2      VAL  47  -2.833   1.570   3.142
  382   3HG2  VAL  47          3HG2      VAL  47  -4.073   2.258   2.092
  383    H    PHE  48           H        PHE  48  -0.462  -0.816   0.429
  384    HA   PHE  48           HA       PHE  48   1.520   0.356   2.263
  385   1HB   PHE  48          2HB       PHE  48   1.820  -1.987   1.176
  386   2HB   PHE  48          1HB       PHE  48   2.218  -1.084  -0.282
  387    HD1  PHE  48           1HD      PHE  48   3.039  -0.593   3.321
  388    HD2  PHE  48           2HD      PHE  48   4.484  -1.140  -0.644
  389    HE1  PHE  48           1HE      PHE  48   5.343  -0.296   4.127
  390    HE2  PHE  48           2HE      PHE  48   6.794  -0.846   0.152
  391    HZ   PHE  48           HZ       PHE  48   7.226  -0.422   2.542
  392    H    PHE  49           H        PHE  49   2.234   2.322   1.867
  393    HA   PHE  49           HA       PHE  49   1.560   3.654  -0.641
  394   1HB   PHE  49          2HB       PHE  49   2.714   4.811   1.911
  395   2HB   PHE  49          1HB       PHE  49   2.115   5.725   0.529
  396    HD1  PHE  49           1HD      PHE  49  -0.321   5.663  -0.015
  397    HD2  PHE  49           2HD      PHE  49   1.254   3.997   3.565
  398    HE1  PHE  49           1HE      PHE  49  -2.574   5.656   0.969
  399    HE2  PHE  49           2HE      PHE  49  -0.989   3.984   4.554
  400    HZ   PHE  49           HZ       PHE  49  -2.911   4.812   3.258
  401    H    PHE  50           H        PHE  50   3.060   3.355  -2.200
  402    HA   PHE  50           HA       PHE  50   5.727   2.630  -1.800
  403   1HB   PHE  50          2HB       PHE  50   4.358   3.948  -4.150
  404   2HB   PHE  50          1HB       PHE  50   6.043   3.441  -4.190
  405    HD1  PHE  50           1HD      PHE  50   6.445   0.937  -3.440
  406    HD2  PHE  50           2HD      PHE  50   2.765   2.489  -4.921
  407    HE1  PHE  50           1HE      PHE  50   5.745  -1.335  -4.078
  408    HE2  PHE  50           2HE      PHE  50   2.061   0.218  -5.555
  409    HZ   PHE  50           HZ       PHE  50   3.551  -1.696  -5.134
  410    H    GLY  51           H        GLY  51   7.533   4.090  -2.932
  411   1HA   GLY  51          2HA       GLY  51   8.847   5.978  -2.826
  412   2HA   GLY  51          1HA       GLY  51   7.395   6.898  -2.460
  413    H    THR  52           H        THR  52   6.517   6.279  -0.148
  414    HA   THR  52           HA       THR  52   8.708   6.854   1.687
  415    HB   THR  52           HB       THR  52   6.974   7.453   3.278
  416    HG1  THR  52           1HG      THR  52   5.189   6.459   1.315
  417   1HG2  THR  52          1HG2      THR  52   5.974   8.576   0.696
  418   2HG2  THR  52          2HG2      THR  52   7.551   9.031   1.341
  419   3HG2  THR  52          3HG2      THR  52   6.090   9.345   2.278
  420    H    HIS  53           H        HIS  53   6.650   4.250   0.767
  421    HA   HIS  53           HA       HIS  53   6.517   2.079   1.440
  422   1HB   HIS  53          2HB       HIS  53   9.076   2.919   2.768
  423   2HB   HIS  53          1HB       HIS  53   8.385   1.339   3.112
  424    HD1  HIS  53           1HD      HIS  53  10.889   0.850   1.930
  425    HD2  HIS  53           2HD      HIS  53   7.706   1.949  -0.505
  426    HE1  HIS  53           1HE      HIS  53  11.526   0.107  -0.386
  427    HE2  HIS  53           2HE      HIS  53   9.620   0.852  -1.855
  428    H    GLU  54           H        GLU  54   5.071   4.157   2.791
  429    HA   GLU  54           HA       GLU  54   5.000   3.270   5.583
  430   1HB   GLU  54          2HB       GLU  54   3.448   5.478   4.216
  431   2HB   GLU  54          1HB       GLU  54   3.487   5.159   5.945
  432   1HG   GLU  54          2HG       GLU  54   5.858   5.693   6.009
  433   2HG   GLU  54          1HG       GLU  54   5.856   5.967   4.267
  434    H    THR  55           H        THR  55   2.901   2.703   6.576
  435    HA   THR  55           HA       THR  55   0.970   1.682   4.632
  436    HB   THR  55           HB       THR  55   2.598  -0.087   5.547
  437    HG1  THR  55           1HG      THR  55   0.887  -1.599   5.579
  438   1HG2  THR  55          1HG2      THR  55   2.600  -0.646   7.674
  439   2HG2  THR  55          2HG2      THR  55   0.837  -0.744   7.711
  440   3HG2  THR  55          3HG2      THR  55   1.644   0.800   7.992
  441    H    ALA  56           H        ALA  56  -1.133   1.486   5.285
  442    HA   ALA  56           HA       ALA  56  -1.918   2.374   7.934
  443   1HB   ALA  56          1HB       ALA  56  -2.964   4.366   7.365
  444   2HB   ALA  56          2HB       ALA  56  -2.983   3.978   5.645
  445   3HB   ALA  56          3HB       ALA  56  -1.468   4.418   6.432
  446    H    PHE  57           H        PHE  57  -4.406   2.527   8.058
  447    HA   PHE  57           HA       PHE  57  -5.502   0.283   6.515
  448   1HB   PHE  57          2HB       PHE  57  -6.286   1.378   9.219
  449   2HB   PHE  57          1HB       PHE  57  -7.154   0.096   8.380
  450    HD1  PHE  57           1HD      PHE  57  -3.717   0.953   9.533
  451    HD2  PHE  57           2HD      PHE  57  -6.610  -2.088   8.837
  452    HE1  PHE  57           1HE      PHE  57  -2.197  -0.712  10.516
  453    HE2  PHE  57           2HE      PHE  57  -5.097  -3.759   9.820
  454    HZ   PHE  57           HZ       PHE  57  -2.886  -3.073  10.663
  455    H    LEU  58           H        LEU  58  -7.038   0.692   5.068
  456    HA   LEU  58           HA       LEU  58  -8.771   3.022   5.456
  457   1HB   LEU  58          2HB       LEU  58  -7.199   2.374   2.970
  458   2HB   LEU  58          1HB       LEU  58  -8.579   3.456   2.969
  459    HG   LEU  58           HG       LEU  58  -7.200   4.679   4.863
  460   1HD1  LEU  58          1HD1      LEU  58  -5.282   2.822   3.626
  461   2HD1  LEU  58          2HD1      LEU  58  -5.258   3.598   5.210
  462   3HD1  LEU  58          3HD1      LEU  58  -4.737   4.492   3.782
  463   1HD2  LEU  58          1HD2      LEU  58  -7.924   5.518   2.598
  464   2HD2  LEU  58          2HD2      LEU  58  -6.367   4.963   1.985
  465   3HD2  LEU  58          3HD2      LEU  58  -6.430   6.212   3.228
  466    H    GLY  59           H        GLY  59 -10.732   2.953   4.126
  467   1HA   GLY  59          2HA       GLY  59 -11.695   0.207   3.921
  468   2HA   GLY  59          1HA       GLY  59 -12.682   1.661   3.895
  469    HA   PRO  60           HA       PRO  60 -11.990  -0.092  -0.457
  470   1HB   PRO  60          2HB       PRO  60 -14.623  -0.553  -1.017
  471   2HB   PRO  60          1HB       PRO  60 -13.540  -1.772  -0.336
  472   1HG   PRO  60          2HG       PRO  60 -15.548  -0.036   1.044
  473   2HG   PRO  60          1HG       PRO  60 -15.187  -1.754   1.300
  474   1HD   PRO  60          2HD       PRO  60 -14.255   0.177   2.943
  475   2HD   PRO  60          1HD       PRO  60 -13.333  -1.301   2.599
  476    H    LYS  61           H        LYS  61 -14.170   2.201   1.044
  477    HA   LYS  61           HA       LYS  61 -14.961   3.545  -1.329
  478   1HB   LYS  61          2HB       LYS  61 -14.877   4.550   1.521
  479   2HB   LYS  61          1HB       LYS  61 -15.728   5.322   0.190
  480   1HG   LYS  61          2HG       LYS  61 -16.378   2.490   0.778
  481   2HG   LYS  61          1HG       LYS  61 -16.943   3.720   1.911
  482   1HD   LYS  61          2HD       LYS  61 -18.501   4.473   0.485
  483   2HD   LYS  61          1HD       LYS  61 -17.393   4.425  -0.888
  484   1HE   LYS  61          2HE       LYS  61 -19.149   2.888  -1.348
  485   2HE   LYS  61          1HE       LYS  61 -17.720   1.939  -0.941
  486   1HZ   LYS  61          1HZ       LYS  61 -20.102   2.457   0.740
  487   2HZ   LYS  61          2HZ       LYS  61 -18.657   1.856   1.383
  488   3HZ   LYS  61          3HZ       LYS  61 -19.497   0.966   0.216
  489    H    ASP  62           H        ASP  62 -12.150   3.683   0.691
  490    HA   ASP  62           HA       ASP  62 -11.258   6.178  -0.552
  491   1HB   ASP  62          2HB       ASP  62 -10.295   4.587   1.814
  492   2HB   ASP  62          1HB       ASP  62  -9.307   5.858   1.100
  493    H    LEU  63           H        LEU  63 -11.256   3.134  -1.524
  494    HA   LEU  63           HA       LEU  63  -8.508   3.237  -2.574
  495   1HB   LEU  63          2HB       LEU  63 -10.284   0.837  -2.122
  496   2HB   LEU  63          1HB       LEU  63  -8.701   0.784  -2.874
  497    HG   LEU  63           HG       LEU  63  -9.158   1.746  -0.054
  498   1HD1  LEU  63          1HD1      LEU  63  -8.425  -0.419   0.705
  499   2HD1  LEU  63          2HD1      LEU  63  -8.241  -0.979  -0.958
  500   3HD1  LEU  63          3HD1      LEU  63  -9.846  -0.611  -0.324
  501   1HD2  LEU  63          1HD2      LEU  63  -6.617   0.861  -0.177
  502   2HD2  LEU  63          2HD2      LEU  63  -7.089   2.535  -0.476
  503   3HD2  LEU  63          3HD2      LEU  63  -6.829   1.436  -1.832
  504    H    PHE  64           H        PHE  64  -8.194   3.093  -4.753
  505    HA   PHE  64           HA       PHE  64 -10.536   2.635  -6.464
  506   1HB   PHE  64          2HB       PHE  64  -8.595   4.901  -6.949
  507   2HB   PHE  64          1HB       PHE  64 -10.105   4.579  -7.793
  508    HD1  PHE  64           1HD      PHE  64 -11.935   5.837  -7.229
  509    HD2  PHE  64           2HD      PHE  64  -8.881   5.237  -4.327
  510    HE1  PHE  64           1HE      PHE  64 -13.126   7.323  -5.673
  511    HE2  PHE  64           2HE      PHE  64 -10.067   6.722  -2.766
  512    HZ   PHE  64           HZ       PHE  64 -12.193   7.768  -3.437
  513    HA   PRO  65           HA       PRO  65  -7.801   0.269  -8.981
  514   1HB   PRO  65          2HB       PRO  65  -8.978   1.355 -11.432
  515   2HB   PRO  65          1HB       PRO  65  -9.082  -0.279 -10.776
  516   1HG   PRO  65          2HG       PRO  65 -11.202   1.389 -10.821
  517   2HG   PRO  65          1HG       PRO  65 -10.959   0.197  -9.531
  518   1HD   PRO  65          2HD       PRO  65 -10.404   3.144  -9.519
  519   2HD   PRO  65          1HD       PRO  65 -11.124   2.127  -8.251
  520    H    TYR  66           H        TYR  66  -5.729   0.904  -9.027
  521    HA   TYR  66           HA       TYR  66  -4.709   3.393  -9.624
  522   1HB   TYR  66          2HB       TYR  66  -3.352   1.728  -8.530
  523   2HB   TYR  66          1HB       TYR  66  -3.414   0.680  -9.944
  524    HD1  TYR  66           1HD      TYR  66  -1.955   1.031 -11.808
  525    HD2  TYR  66           2HD      TYR  66  -2.015   3.808  -8.586
  526    HE1  TYR  66           1HE      TYR  66   0.087   2.079 -12.685
  527    HE2  TYR  66           2HE      TYR  66   0.031   4.864  -9.452
  528    HH   TYR  66           HH       TYR  66   1.931   3.446 -11.918
  529    H    GLU  67           H        GLU  67  -4.700   0.588 -11.833
  530    HA   GLU  67           HA       GLU  67  -3.653   1.805 -14.069
  531   1HB   GLU  67          2HB       GLU  67  -5.231  -0.575 -13.522
  532   2HB   GLU  67          1HB       GLU  67  -5.583   0.092 -15.110
  533   1HG   GLU  67          2HG       GLU  67  -2.934   0.188 -15.228
  534   2HG   GLU  67          1HG       GLU  67  -3.098  -1.129 -14.067
  535    H    GLU  68           H        GLU  68  -7.009   1.782 -13.006
  536    HA   GLU  68           HA       GLU  68  -8.034   3.127 -15.277
  537   1HB   GLU  68          2HB       GLU  68  -9.150   1.745 -13.222
  538   2HB   GLU  68          1HB       GLU  68  -9.550   3.398 -12.772
  539   1HG   GLU  68          2HG       GLU  68 -10.056   2.900 -15.574
  540   2HG   GLU  68          1HG       GLU  68 -10.922   1.764 -14.540
  541    H    SER  69           H        SER  69  -6.938   4.261 -12.105
  542    HA   SER  69           HA       SER  69  -7.528   7.011 -12.982
  543   1HB   SER  69          2HB       SER  69  -6.917   7.371 -10.403
  544   2HB   SER  69          1HB       SER  69  -8.536   6.917 -10.936
  545    HG   SER  69           HG       SER  69  -7.762   5.582  -9.237
  546    H    LYS  70           H        LYS  70  -5.040   5.113 -13.397
  547    HA   LYS  70           HA       LYS  70  -2.850   6.238 -12.110
  548   1HB   LYS  70          2HB       LYS  70  -1.486   5.187 -13.735
  549   2HB   LYS  70          1HB       LYS  70  -2.892   4.154 -13.538
  550   1HG   LYS  70          2HG       LYS  70  -3.837   4.946 -15.597
  551   2HG   LYS  70          1HG       LYS  70  -2.557   6.149 -15.767
  552   1HD   LYS  70          2HD       LYS  70  -1.521   4.613 -17.022
  553   2HD   LYS  70          1HD       LYS  70  -1.138   3.822 -15.492
  554   1HE   LYS  70          2HE       LYS  70  -2.741   2.209 -15.767
  555   2HE   LYS  70          1HE       LYS  70  -3.762   3.241 -16.769
  556   1HZ   LYS  70          1HZ       LYS  70  -2.746   1.454 -18.048
  557   2HZ   LYS  70          2HZ       LYS  70  -1.203   2.004 -17.630
  558   3HZ   LYS  70          3HZ       LYS  70  -2.210   2.965 -18.589
  559    H    GLU  71           H        GLU  71  -4.338   7.181 -15.186
  560    HA   GLU  71           HA       GLU  71  -2.499   9.272 -15.731
  561   1HB   GLU  71          2HB       GLU  71  -4.164   9.974 -17.431
  562   2HB   GLU  71          1HB       GLU  71  -3.738   8.272 -17.534
  563   1HG   GLU  71          2HG       GLU  71  -5.826   7.607 -17.134
  564   2HG   GLU  71          1HG       GLU  71  -6.046   8.775 -15.833
  565    H    LYS  72           H        LYS  72  -5.386   9.094 -13.800
  566    HA   LYS  72           HA       LYS  72  -5.772  11.955 -13.738
  567   1HB   LYS  72          2HB       LYS  72  -7.080   9.718 -12.188
  568   2HB   LYS  72          1HB       LYS  72  -7.547  11.409 -12.075
  569   1HG   LYS  72          2HG       LYS  72  -8.270  11.445 -14.339
  570   2HG   LYS  72          1HG       LYS  72  -7.582   9.849 -14.644
  571   1HD   LYS  72          2HD       LYS  72  -9.584   9.001 -14.153
  572   2HD   LYS  72          1HD       LYS  72  -9.283   9.469 -12.478
  573   1HE   LYS  72          2HE       LYS  72 -10.167  11.763 -13.924
  574   2HE   LYS  72          1HE       LYS  72 -11.275  10.430 -14.247
  575   1HZ   LYS  72          1HZ       LYS  72 -12.034  10.448 -12.153
  576   2HZ   LYS  72          2HZ       LYS  72 -11.416  12.021 -12.101
  577   3HZ   LYS  72          3HZ       LYS  72 -10.512  10.737 -11.472
  578    H    PHE  73           H        PHE  73  -4.725   9.466 -11.413
  579    HA   PHE  73           HA       PHE  73  -3.931  11.601  -9.563
  580   1HB   PHE  73          2HB       PHE  73  -3.907   8.648  -8.973
  581   2HB   PHE  73          1HB       PHE  73  -3.953   9.988  -7.835
  582    HD1  PHE  73           1HD      PHE  73  -5.794   7.651  -7.755
  583    HD2  PHE  73           2HD      PHE  73  -6.147  11.408  -9.724
  584    HE1  PHE  73           1HE      PHE  73  -8.244   7.470  -7.654
  585    HE2  PHE  73           2HE      PHE  73  -8.596  11.232  -9.624
  586    HZ   PHE  73           HZ       PHE  73  -9.649   9.263  -8.588
  587    H    GLY  74           H        GLY  74  -2.490   9.670 -11.923
  588   1HA   GLY  74          2HA       GLY  74   0.014   9.284 -10.525
  589   2HA   GLY  74          1HA       GLY  74  -0.323   8.873 -12.198
  590    H    LYS  75           H        LYS  75   0.216  11.676 -10.060
  591    HA   LYS  75           HA       LYS  75   1.958  12.826 -12.077
  592   1HB   LYS  75          2HB       LYS  75  -0.632  14.048 -11.192
  593   2HB   LYS  75          1HB       LYS  75   0.721  15.088 -11.617
  594   1HG   LYS  75          2HG       LYS  75   0.814  13.822 -13.813
  595   2HG   LYS  75          1HG       LYS  75  -0.755  13.147 -13.367
  596   1HD   LYS  75          2HD       LYS  75  -0.522  16.071 -13.113
  597   2HD   LYS  75          1HD       LYS  75  -0.420  15.447 -14.761
  598   1HE   LYS  75          2HE       LYS  75  -2.613  15.091 -14.821
  599   2HE   LYS  75          1HE       LYS  75  -2.545  14.140 -13.338
  600   1HZ   LYS  75          1HZ       LYS  75  -4.005  16.057 -13.114
  601   2HZ   LYS  75          2HZ       LYS  75  -2.725  17.102 -13.475
  602   3HZ   LYS  75          3HZ       LYS  75  -2.688  16.179 -12.059
  603    HA   PRO  76           HA       PRO  76   4.419  14.129  -8.678
  604   1HB   PRO  76          2HB       PRO  76   4.911  16.790  -9.313
  605   2HB   PRO  76          1HB       PRO  76   5.818  15.407  -9.935
  606   1HG   PRO  76          2HG       PRO  76   3.593  16.944 -11.206
  607   2HG   PRO  76          1HG       PRO  76   5.062  16.274 -11.943
  608   1HD   PRO  76          2HD       PRO  76   2.689  15.071 -12.233
  609   2HD   PRO  76          1HD       PRO  76   4.181  14.127 -12.041
  610    H    ASN  77           H        ASN  77   4.410  15.319  -6.736
  611    HA   ASN  77           HA       ASN  77   2.067  17.042  -6.287
  612   1HB   ASN  77          2HB       ASN  77   1.973  14.486  -5.490
  613   2HB   ASN  77          1HB       ASN  77   2.800  15.174  -4.096
  614   1HD2  ASN  77          1HD2      ASN  77   0.184  16.268  -6.232
  615   2HD2  ASN  77          2HD2      ASN  77  -0.931  16.628  -4.962
  616    H    LYS  78           H        LYS  78   2.183  18.137  -4.113
  617    HA   LYS  78           HA       LYS  78   4.835  19.292  -3.840
  618   1HB   LYS  78          2HB       LYS  78   2.073  20.104  -3.175
  619   2HB   LYS  78          1HB       LYS  78   3.316  20.663  -2.065
  620   1HG   LYS  78          2HG       LYS  78   3.284  21.123  -5.040
  621   2HG   LYS  78          1HG       LYS  78   2.852  22.306  -3.803
  622   1HD   LYS  78          2HD       LYS  78   5.356  21.394  -3.026
  623   2HD   LYS  78          1HD       LYS  78   5.466  21.511  -4.784
  624   1HE   LYS  78          2HE       LYS  78   4.562  23.828  -4.615
  625   2HE   LYS  78          1HE       LYS  78   4.662  23.688  -2.860
  626   1HZ   LYS  78          1HZ       LYS  78   6.632  24.602  -4.473
  627   2HZ   LYS  78          2HZ       LYS  78   7.109  23.002  -4.204
  628   3HZ   LYS  78          3HZ       LYS  78   6.850  24.038  -2.892
  629    H    ARG  79           H        ARG  79   2.915  16.944  -2.269
  630    HA   ARG  79           HA       ARG  79   3.826  17.290   0.385
  631   1HB   ARG  79          2HB       ARG  79   2.901  14.745  -0.957
  632   2HB   ARG  79          1HB       ARG  79   2.993  15.031   0.776
  633   1HG   ARG  79          2HG       ARG  79   1.204  16.515  -1.137
  634   2HG   ARG  79          1HG       ARG  79   0.705  15.191  -0.083
  635   1HD   ARG  79          2HD       ARG  79   0.705  16.491   1.765
  636   2HD   ARG  79          1HD       ARG  79   2.101  17.424   1.236
  637    HE   ARG  79           HE       ARG  79  -0.313  17.950  -0.247
  638   1HH1  ARG  79          1HH1      ARG  79   1.608  18.823   2.535
  639   2HH1  ARG  79          2HH1      ARG  79   0.933  20.413   2.657
  640   1HH2  ARG  79          1HH2      ARG  79  -1.201  20.040  -0.086
  641   2HH2  ARG  79          2HH2      ARG  79  -0.661  21.104   1.170
  642    H    LYS  80           H        LYS  80   5.368  16.237  -2.413
  643    HA   LYS  80           HA       LYS  80   7.421  15.404  -2.849
  644   1HB   LYS  80          2HB       LYS  80   7.904  16.012   0.073
  645   2HB   LYS  80          1HB       LYS  80   9.155  15.589  -1.090
  646   1HG   LYS  80          2HG       LYS  80   7.474  18.072  -0.977
  647   2HG   LYS  80          1HG       LYS  80   9.231  17.926  -0.916
  648   1HD   LYS  80          2HD       LYS  80   7.531  17.235  -3.323
  649   2HD   LYS  80          1HD       LYS  80   8.379  18.767  -3.096
  650   1HE   LYS  80          2HE       LYS  80  10.478  17.783  -3.291
  651   2HE   LYS  80          1HE       LYS  80   9.860  16.170  -2.934
  652   1HZ   LYS  80          1HZ       LYS  80   9.681  17.701  -5.447
  653   2HZ   LYS  80          2HZ       LYS  80   8.576  16.464  -5.118
  654   3HZ   LYS  80          3HZ       LYS  80  10.230  16.119  -5.202
  655    H    GLY  81           H        GLY  81   8.440  13.441  -2.903
  656   1HA   GLY  81          2HA       GLY  81   8.884  11.226  -2.243
  657   2HA   GLY  81          1HA       GLY  81   7.766  11.430  -0.898
  658    H    PHE  82           H        PHE  82   5.833  12.631  -2.998
  659    HA   PHE  82           HA       PHE  82   4.220  10.383  -3.363
  660   1HB   PHE  82          2HB       PHE  82   3.368  12.674  -3.414
  661   2HB   PHE  82          1HB       PHE  82   4.271  12.997  -4.891
  662    HD1  PHE  82           1HD      PHE  82   3.684  11.646  -6.959
  663    HD2  PHE  82           2HD      PHE  82   1.221  11.806  -3.495
  664    HE1  PHE  82           1HE      PHE  82   1.766  10.887  -8.297
  665    HE2  PHE  82           2HE      PHE  82  -0.702  11.047  -4.822
  666    HZ   PHE  82           HZ       PHE  82  -0.434  10.581  -7.225
  667    H    SER  83           H        SER  83   6.149  12.154  -5.780
  668    HA   SER  83           HA       SER  83   5.715  10.507  -7.956
  669   1HB   SER  83          2HB       SER  83   8.468  11.562  -7.680
  670   2HB   SER  83          1HB       SER  83   7.319  11.733  -9.007
  671    HG   SER  83           HG       SER  83   7.071  13.671  -8.231
  672    H    GLU  84           H        GLU  84   8.227  10.227  -5.457
  673    HA   GLU  84           HA       GLU  84   9.716   8.140  -6.450
  674   1HB   GLU  84          2HB       GLU  84   8.925   8.853  -3.635
  675   2HB   GLU  84          1HB       GLU  84   9.971   7.479  -3.969
  676   1HG   GLU  84          2HG       GLU  84  10.904   9.815  -5.360
  677   2HG   GLU  84          1HG       GLU  84  10.711  10.149  -3.641
  678    H    GLY  85           H        GLY  85   6.509   8.075  -5.069
  679   1HA   GLY  85          2HA       GLY  85   6.387   5.236  -4.744
  680   2HA   GLY  85          1HA       GLY  85   5.026   6.350  -4.704
  681    H    LEU  86           H        LEU  86   5.659   7.481  -7.326
  682    HA   LEU  86           HA       LEU  86   4.079   5.810  -8.933
  683   1HB   LEU  86          2HB       LEU  86   5.944   8.075  -9.625
  684   2HB   LEU  86          1HB       LEU  86   4.952   7.264 -10.822
  685    HG   LEU  86           HG       LEU  86   3.934   8.794  -8.427
  686   1HD1  LEU  86          1HD1      LEU  86   3.633  10.584  -9.752
  687   2HD1  LEU  86          2HD1      LEU  86   3.229   9.606 -11.163
  688   3HD1  LEU  86          3HD1      LEU  86   4.917   9.849 -10.711
  689   1HD2  LEU  86          1HD2      LEU  86   1.771   8.470  -9.931
  690   2HD2  LEU  86          2HD2      LEU  86   2.241   7.300  -8.697
  691   3HD2  LEU  86          3HD2      LEU  86   2.627   6.998 -10.392
  692    H    TRP  87           H        TRP  87   7.587   6.265  -8.780
  693    HA   TRP  87           HA       TRP  87   8.248   4.566 -10.936
  694   1HB   TRP  87          2HB       TRP  87   9.850   6.175 -10.046
  695   2HB   TRP  87          1HB       TRP  87   9.867   5.344  -8.492
  696    HD1  TRP  87           HD       TRP  87  11.373   5.218 -11.959
  697    HE1  TRP  87           1HE      TRP  87  13.134   3.344 -12.057
  698    HE3  TRP  87           3HE      TRP  87  10.425   2.984  -7.465
  699    HZ2  TRP  87           2HZ      TRP  87  14.001   1.192 -10.438
  700    HZ3  TRP  87           3HZ      TRP  87  11.758   1.025  -6.812
  701    HH2  TRP  87           HH       TRP  87  13.509   0.147  -8.269
  702    H    GLU  88           H        GLU  88   7.976   3.946  -7.434
  703    HA   GLU  88           HA       GLU  88   8.881   1.288  -7.497
  704   1HB   GLU  88          2HB       GLU  88   6.808   2.238  -5.544
  705   2HB   GLU  88          1HB       GLU  88   8.118   1.097  -5.290
  706   1HG   GLU  88          2HG       GLU  88   9.310   3.541  -6.011
  707   2HG   GLU  88          1HG       GLU  88   8.057   3.913  -4.831
  708    H    ILE  89           H        ILE  89   5.538   2.545  -7.536
  709    HA   ILE  89           HA       ILE  89   4.188   0.147  -7.584
  710    HB   ILE  89           HB       ILE  89   3.146   2.389  -7.393
  711   1HG1  ILE  89          2HG1      ILE  89   1.449   1.462  -9.494
  712   2HG1  ILE  89          1HG1      ILE  89   2.139   0.062  -8.675
  713   1HG2  ILE  89          1HG2      ILE  89   3.699   3.885  -8.944
  714   2HG2  ILE  89          2HG2      ILE  89   2.477   3.108  -9.949
  715   3HG2  ILE  89          3HG2      ILE  89   4.172   2.648 -10.107
  716   1HD1  ILE  89          1HD1      ILE  89   0.556   0.313  -7.151
  717   2HD1  ILE  89          2HD1      ILE  89   0.089   1.885  -7.800
  718   3HD1  ILE  89          3HD1      ILE  89   1.402   1.769  -6.626
  719    H    GLU  90           H        GLU  90   6.032   1.631 -10.121
  720    HA   GLU  90           HA       GLU  90   4.978  -0.258 -12.096
  721   1HB   GLU  90          2HB       GLU  90   6.692   2.207 -12.386
  722   2HB   GLU  90          1HB       GLU  90   6.303   1.133 -13.722
  723   1HG   GLU  90          2HG       GLU  90   3.855   1.727 -12.531
  724   2HG   GLU  90          1HG       GLU  90   4.745   3.248 -12.551
  725    H    ASN  91           H        ASN  91   8.089   0.791 -10.719
  726    HA   ASN  91           HA       ASN  91   9.551  -1.198 -12.187
  727   1HB   ASN  91          2HB       ASN  91  10.192   1.054 -10.438
  728   2HB   ASN  91          1HB       ASN  91  11.252  -0.329 -10.198
  729   1HD2  ASN  91          1HD2      ASN  91   9.924   1.806 -12.670
  730   2HD2  ASN  91          2HD2      ASN  91  11.280   1.709 -13.737
  731    H    ASN  92           H        ASN  92   8.235  -0.926  -8.940
  732    HA   ASN  92           HA       ASN  92   8.620  -3.758  -8.564
  733   1HB   ASN  92          2HB       ASN  92  10.550  -1.970  -7.542
  734   2HB   ASN  92          1HB       ASN  92   9.598  -2.511  -6.163
  735   1HD2  ASN  92          1HD2      ASN  92  10.356  -4.237  -5.204
  736   2HD2  ASN  92          2HD2      ASN  92  11.264  -5.508  -5.944
  737    HA   PRO  93           HA       PRO  93   4.772  -2.196  -6.624
  738   1HB   PRO  93          2HB       PRO  93   3.171  -4.179  -7.486
  739   2HB   PRO  93          1HB       PRO  93   3.610  -2.814  -8.519
  740   1HG   PRO  93          2HG       PRO  93   4.741  -5.584  -8.456
  741   2HG   PRO  93          1HG       PRO  93   4.327  -4.575  -9.855
  742   1HD   PRO  93          2HD       PRO  93   6.872  -4.868  -8.900
  743   2HD   PRO  93          1HD       PRO  93   6.309  -3.424  -9.765
  744    H    THR  94           H        THR  94   6.649  -5.044  -6.307
  745    HA   THR  94           HA       THR  94   5.070  -5.936  -4.001
  746    HB   THR  94           HB       THR  94   6.174  -8.053  -4.192
  747    HG1  THR  94           1HG      THR  94   8.251  -7.410  -4.703
  748   1HG2  THR  94          1HG2      THR  94   5.089  -8.793  -5.987
  749   2HG2  THR  94          2HG2      THR  94   5.952  -7.705  -7.074
  750   3HG2  THR  94          3HG2      THR  94   4.550  -7.125  -6.174
  751    H    VAL  95           H        VAL  95   7.299  -3.729  -4.347
  752    HA   VAL  95           HA       VAL  95   9.480  -4.494  -2.760
  753    HB   VAL  95           HB       VAL  95   9.487  -2.483  -4.174
  754   1HG1  VAL  95          1HG1      VAL  95   7.735  -1.114  -4.100
  755   2HG1  VAL  95          2HG1      VAL  95   8.351  -0.518  -2.559
  756   3HG1  VAL  95          3HG1      VAL  95   7.167  -1.824  -2.589
  757   1HG2  VAL  95          1HG2      VAL  95  11.104  -2.716  -2.343
  758   2HG2  VAL  95          2HG2      VAL  95   9.992  -1.876  -1.262
  759   3HG2  VAL  95          3HG2      VAL  95  10.692  -1.027  -2.641
  760    H    LYS  96           H        LYS  96   9.968  -4.128  -0.587
  761    HA   LYS  96           HA       LYS  96   7.960  -3.115   1.220
  762   1HB   LYS  96          2HB       LYS  96   7.808  -5.167   2.562
  763   2HB   LYS  96          1HB       LYS  96   7.184  -5.408   0.935
  764   1HG   LYS  96          2HG       LYS  96  10.027  -6.084   1.461
  765   2HG   LYS  96          1HG       LYS  96   8.775  -7.163   2.082
  766   1HD   LYS  96          2HD       LYS  96   7.893  -7.515  -0.112
  767   2HD   LYS  96          1HD       LYS  96   8.928  -6.255  -0.788
  768   1HE   LYS  96          2HE       LYS  96   9.784  -8.492  -1.293
  769   2HE   LYS  96          1HE       LYS  96  10.903  -7.580  -0.281
  770   1HZ   LYS  96          1HZ       LYS  96  10.006  -8.772   1.654
  771   2HZ   LYS  96          2HZ       LYS  96  10.715  -9.818   0.530
  772   3HZ   LYS  96          3HZ       LYS  96   9.031  -9.698   0.627
  773    H    ALA  97           H        ALA  97   8.743  -3.217   3.522
  774    HA   ALA  97           HA       ALA  97  11.678  -2.942   3.578
  775   1HB   ALA  97          1HB       ALA  97  10.334  -1.595   5.754
  776   2HB   ALA  97          2HB       ALA  97   9.742  -1.041   4.188
  777   3HB   ALA  97          3HB       ALA  97  11.463  -0.957   4.559
  778    H    SER  98           H        SER  98  12.517  -4.707   4.490
  779    HA   SER  98           HA       SER  98  11.595  -5.467   7.147
  780   1HB   SER  98          2HB       SER  98  11.709  -7.373   4.803
  781   2HB   SER  98          1HB       SER  98  11.674  -7.910   6.482
  782    HG   SER  98           HG       SER  98   9.696  -6.591   6.635
  783    H    GLY  99           H        GLY  99  13.881  -6.288   4.537
  784   1HA   GLY  99          2HA       GLY  99  16.175  -6.479   4.582
  785   2HA   GLY  99          1HA       GLY  99  16.148  -5.746   6.179
  786    H    TYR 100           H        TYR 100  17.985  -7.475   6.160
  787    HA   TYR 100           HA       TYR 100  16.858  -9.888   7.404
  788   1HB   TYR 100          2HB       TYR 100  18.819 -11.154   6.415
  789   2HB   TYR 100          1HB       TYR 100  17.577 -10.658   5.270
  790    HD1  TYR 100           1HD      TYR 100  21.025 -10.159   6.375
  791    HD2  TYR 100           2HD      TYR 100  18.025  -8.930   3.621
  792    HE1  TYR 100           1HE      TYR 100  22.740  -9.048   5.010
  793    HE2  TYR 100           2HE      TYR 100  19.731  -7.817   2.249
  794    HH   TYR 100           HH       TYR 100  22.123  -7.904   1.851
  795    H    GLN 101           H        GLN 101  19.771  -7.898   6.980
  796    HA   GLN 101           HA       GLN 101  20.378  -8.330   9.820
  797   1HB   GLN 101          2HB       GLN 101  22.120  -8.874   7.470
  798   2HB   GLN 101          1HB       GLN 101  22.876  -8.167   8.891
  799   1HG   GLN 101          2HG       GLN 101  21.173 -10.353   9.648
  800   2HG   GLN 101          1HG       GLN 101  22.321 -10.861   8.411
  801   1HE2  GLN 101          1HE2      GLN 101  24.346 -11.290   8.996
  802   2HE2  GLN 101          2HE2      GLN 101  25.024 -10.972  10.553
  803    H    SER 102           H        SER 102  20.021  -6.363  10.642
  804    HA   SER 102           HA       SER 102  21.268  -4.060   9.289
  805   1HB   SER 102          2HB       SER 102  18.889  -3.855  11.131
  806   2HB   SER 102          1HB       SER 102  19.488  -2.660   9.981
  807    HG   SER 102           HG       SER 102  18.949  -4.313   8.339
  808    H    SER 103           H        SER 103  22.053  -2.352  10.679
  809    HA   SER 103           HA       SER 103  22.348  -2.867  13.500
  810   1HB   SER 103          2HB       SER 103  24.873  -2.778  13.379
  811   2HB   SER 103          1HB       SER 103  24.149  -4.267  12.770
  812    HG   SER 103           HG       SER 103  24.563  -3.638  10.713
  813    H    GLN 104           H        GLN 104  23.616  -1.116  14.576
  814    HA   GLN 104           HA       GLN 104  23.953   1.090  15.015
  815   1HB   GLN 104          2HB       GLN 104  24.635   0.884  12.115
  816   2HB   GLN 104          1HB       GLN 104  24.504   2.483  12.833
  817   1HG   GLN 104          2HG       GLN 104  26.208   0.365  14.081
  818   2HG   GLN 104          1HG       GLN 104  26.803   1.358  12.752
  819   1HE2  GLN 104          1HE2      GLN 104  27.829   1.258  15.415
  820   2HE2  GLN 104          2HE2      GLN 104  27.656   2.839  16.090
  821    H    LYS 105           H        LYS 105  22.007   1.782  15.746
  822    HA   LYS 105           HA       LYS 105  20.307   3.179  13.806
  823   1HB   LYS 105          2HB       LYS 105  19.499   0.795  14.649
  824   2HB   LYS 105          1HB       LYS 105  18.974   1.728  16.044
  825   1HG   LYS 105          2HG       LYS 105  17.462   2.984  14.786
  826   2HG   LYS 105          1HG       LYS 105  18.222   2.534  13.258
  827   1HD   LYS 105          2HD       LYS 105  17.190   0.496  13.191
  828   2HD   LYS 105          1HD       LYS 105  17.109   0.358  14.948
  829   1HE   LYS 105          2HE       LYS 105  15.141   1.485  15.082
  830   2HE   LYS 105          1HE       LYS 105  15.513   2.516  13.699
  831   1HZ   LYS 105          1HZ       LYS 105  15.187   0.413  12.329
  832   2HZ   LYS 105          2HZ       LYS 105  13.801   1.142  12.968
  833   3HZ   LYS 105          3HZ       LYS 105  14.445  -0.240  13.702
  834    H    LYS 106           H        LYS 106  19.496   5.096  14.501
  835    HA   LYS 106           HA       LYS 106  20.096   5.858  17.285
  836   1HB   LYS 106          2HB       LYS 106  20.384   8.176  16.451
  837   2HB   LYS 106          1HB       LYS 106  21.564   7.054  15.786
  838   1HG   LYS 106          2HG       LYS 106  21.028   7.883  13.797
  839   2HG   LYS 106          1HG       LYS 106  19.517   6.986  13.943
  840   1HD   LYS 106          2HD       LYS 106  18.519   8.978  13.714
  841   2HD   LYS 106          1HD       LYS 106  18.998   9.256  15.390
  842   1HE   LYS 106          2HE       LYS 106  19.914  11.119  14.468
  843   2HE   LYS 106          1HE       LYS 106  21.256  10.009  14.195
  844   1HZ   LYS 106          1HZ       LYS 106  20.607   9.706  11.958
  845   2HZ   LYS 106          2HZ       LYS 106  20.576  11.375  12.233
  846   3HZ   LYS 106          3HZ       LYS 106  19.130  10.499  12.188
  847    H    SER 107           H        SER 107  17.843   6.138  14.595
  848    HA   SER 107           HA       SER 107  15.952   7.682  16.149
  849   1HB   SER 107          2HB       SER 107  15.572   6.389  13.438
  850   2HB   SER 107          1HB       SER 107  14.562   7.641  14.161
  851    HG   SER 107           HG       SER 107  15.967   8.649  12.776
  852    H    CYS 108           H        CYS 108  13.885   6.979  16.783
  853    HA   CYS 108           HA       CYS 108  13.784   4.146  17.450
  854   1HB   CYS 108          2HB       CYS 108  12.673   6.614  18.557
  855   2HB   CYS 108          1HB       CYS 108  11.502   5.301  18.501
  856    HG   CYS 108           HG       CYS 108  12.550   4.455  20.531
  857    H    ALA 109           H        ALA 109  11.527   6.551  16.085
  858    HA   ALA 109           HA       ALA 109  10.624   4.638  14.114
  859   1HB   ALA 109          1HB       ALA 109   9.311   4.483  16.451
  860   2HB   ALA 109          2HB       ALA 109   8.553   4.174  14.888
  861   3HB   ALA 109          3HB       ALA 109   8.371   5.750  15.660
  862    H    GLU 110           H        GLU 110  11.901   7.265  14.156
  863    HA   GLU 110           HA       GLU 110   9.959   9.219  13.385
  864   1HB   GLU 110          2HB       GLU 110  12.870   9.091  13.707
  865   2HB   GLU 110          1HB       GLU 110  12.356  10.126  12.382
  866   1HG   GLU 110          2HG       GLU 110  11.828  11.735  13.798
  867   2HG   GLU 110          1HG       GLU 110  10.722  10.661  14.654
  Start of MODEL   20
    1   1H    MET   1          1HT       MET   1 -26.663 -12.652  -4.112
    2   2H    MET   1          2HT       MET   1 -27.596 -13.939  -4.759
    3   3H    MET   1          3HT       MET   1 -28.245 -12.944  -3.520
    4    HA   MET   1           HA       MET   1 -27.417 -11.892  -6.129
    5   1HB   MET   1          2HB       MET   1 -29.569 -13.679  -5.534
    6   2HB   MET   1          1HB       MET   1 -30.250 -12.102  -5.907
    7   1HG   MET   1          2HG       MET   1 -28.151 -12.954  -7.752
    8   2HG   MET   1          1HG       MET   1 -29.564 -14.007  -7.730
    9   1HE   MET   1          1HE       MET   1 -32.437 -11.439  -8.466
   10   2HE   MET   1          2HE       MET   1 -31.881 -12.380  -7.082
   11   3HE   MET   1          3HE       MET   1 -32.071 -13.154  -8.656
   12    H    SER   2           H        SER   2 -27.039  -9.817  -5.659
   13    HA   SER   2           HA       SER   2 -29.133  -8.142  -4.717
   14   1HB   SER   2          2HB       SER   2 -27.532  -7.299  -2.763
   15   2HB   SER   2          1HB       SER   2 -28.701  -8.592  -2.504
   16    HG   SER   2           HG       SER   2 -27.065 -10.091  -2.747
   17    H    ARG   3           H        ARG   3 -25.616  -7.876  -4.265
   18    HA   ARG   3           HA       ARG   3 -25.484  -5.308  -5.436
   19   1HB   ARG   3          2HB       ARG   3 -23.595  -7.264  -4.327
   20   2HB   ARG   3          1HB       ARG   3 -22.914  -6.259  -5.598
   21   1HG   ARG   3          2HG       ARG   3 -22.463  -4.877  -3.888
   22   2HG   ARG   3          1HG       ARG   3 -24.138  -4.373  -4.124
   23   1HD   ARG   3          2HD       ARG   3 -24.554  -4.958  -2.022
   24   2HD   ARG   3          1HD       ARG   3 -24.243  -6.635  -2.470
   25    HE   ARG   3           HE       ARG   3 -21.861  -5.143  -1.877
   26   1HH1  ARG   3          1HH1      ARG   3 -24.458  -7.035  -0.516
   27   2HH1  ARG   3          2HH1      ARG   3 -23.559  -7.487   0.892
   28   1HH2  ARG   3          1HH2      ARG   3 -20.675  -5.738  -0.026
   29   2HH2  ARG   3          2HH2      ARG   3 -21.412  -6.751   1.171
   30    H    SER   4           H        SER   4 -26.000  -4.989  -7.508
   31    HA   SER   4           HA       SER   4 -24.747  -6.740  -9.521
   32   1HB   SER   4          2HB       SER   4 -27.530  -6.111  -9.122
   33   2HB   SER   4          1HB       SER   4 -27.004  -5.515 -10.697
   34    HG   SER   4           HG       SER   4 -26.503  -7.536 -11.314
   35    H    ASN   5           H        ASN   5 -24.787  -5.577 -11.754
   36    HA   ASN   5           HA       ASN   5 -23.929  -3.928 -13.063
   37   1HB   ASN   5          2HB       ASN   5 -25.994  -2.762 -12.129
   38   2HB   ASN   5          1HB       ASN   5 -24.909  -1.963 -10.994
   39   1HD2  ASN   5          1HD2      ASN   5 -24.187  -0.064 -11.597
   40   2HD2  ASN   5          2HD2      ASN   5 -24.041   0.506 -13.221
   41    H    ARG   6           H        ARG   6 -22.435  -5.005 -10.620
   42    HA   ARG   6           HA       ARG   6 -19.996  -3.783 -11.033
   43   1HB   ARG   6          2HB       ARG   6 -21.710  -2.183  -9.382
   44   2HB   ARG   6          1HB       ARG   6 -20.361  -2.761  -8.412
   45   1HG   ARG   6          2HG       ARG   6 -19.106  -1.948 -10.695
   46   2HG   ARG   6          1HG       ARG   6 -20.424  -0.782 -10.559
   47   1HD   ARG   6          2HD       ARG   6 -19.397  -1.044  -7.977
   48   2HD   ARG   6          1HD       ARG   6 -17.987  -0.994  -9.029
   49    HE   ARG   6           HE       ARG   6 -18.954   1.109  -9.942
   50   1HH1  ARG   6          1HH1      ARG   6 -19.828   0.046  -6.723
   51   2HH1  ARG   6          2HH1      ARG   6 -20.211   1.641  -6.173
   52   1HH2  ARG   6          1HH2      ARG   6 -19.458   3.198  -9.206
   53   2HH2  ARG   6          2HH2      ARG   6 -20.002   3.426  -7.578
   54    H    GLN   7           H        GLN   7 -18.330  -4.527  -9.580
   55    HA   GLN   7           HA       GLN   7 -19.193  -6.663  -7.752
   56   1HB   GLN   7          2HB       GLN   7 -16.861  -6.842  -9.669
   57   2HB   GLN   7          1HB       GLN   7 -17.369  -8.083  -8.530
   58   1HG   GLN   7          2HG       GLN   7 -18.403  -8.920 -10.337
   59   2HG   GLN   7          1HG       GLN   7 -19.656  -7.762  -9.892
   60   1HE2  GLN   7          1HE2      GLN   7 -20.388  -6.621 -11.521
   61   2HE2  GLN   7          2HE2      GLN   7 -19.498  -6.148 -12.924
   62    H    LYS   8           H        LYS   8 -16.276  -4.902  -8.808
   63    HA   LYS   8           HA       LYS   8 -14.576  -3.939  -7.650
   64   1HB   LYS   8          2HB       LYS   8 -16.888  -3.023  -6.514
   65   2HB   LYS   8          1HB       LYS   8 -16.048  -3.679  -5.115
   66   1HG   LYS   8          2HG       LYS   8 -14.030  -2.316  -6.023
   67   2HG   LYS   8          1HG       LYS   8 -15.270  -1.423  -6.905
   68   1HD   LYS   8          2HD       LYS   8 -16.449  -1.230  -4.623
   69   2HD   LYS   8          1HD       LYS   8 -14.887  -1.690  -3.942
   70   1HE   LYS   8          2HE       LYS   8 -15.207   0.755  -4.034
   71   2HE   LYS   8          1HE       LYS   8 -13.825   0.210  -4.984
   72   1HZ   LYS   8          1HZ       LYS   8 -16.267   0.327  -6.493
   73   2HZ   LYS   8          2HZ       LYS   8 -14.742   0.957  -6.858
   74   3HZ   LYS   8          3HZ       LYS   8 -15.804   1.831  -5.873
   75    H    GLU   9           H        GLU   9 -14.154  -4.075  -4.757
   76    HA   GLU   9           HA       GLU   9 -13.390  -5.473  -3.094
   77   1HB   GLU   9          2HB       GLU   9 -13.790  -7.863  -4.888
   78   2HB   GLU   9          1HB       GLU   9 -13.675  -7.823  -3.134
   79   1HG   GLU   9          2HG       GLU   9 -15.834  -6.364  -3.322
   80   2HG   GLU   9          1HG       GLU   9 -15.973  -7.140  -4.898
   81    H    TYR  10           H        TYR  10 -11.284  -5.904  -2.630
   82    HA   TYR  10           HA       TYR  10  -9.487  -6.339  -4.930
   83   1HB   TYR  10          2HB       TYR  10  -8.868  -4.654  -2.497
   84   2HB   TYR  10          1HB       TYR  10  -7.866  -4.851  -3.932
   85    HD1  TYR  10           1HD      TYR  10  -8.040  -3.316  -5.668
   86    HD2  TYR  10           2HD      TYR  10 -11.240  -3.657  -2.885
   87    HE1  TYR  10           1HE      TYR  10  -9.155  -1.395  -6.724
   88    HE2  TYR  10           2HE      TYR  10 -12.364  -1.737  -3.933
   89    HH   TYR  10           HH       TYR  10 -11.342   0.402  -5.429
   90    H    LYS  11           H        LYS  11  -7.331  -7.214  -4.301
   91    HA   LYS  11           HA       LYS  11  -7.435  -8.893  -1.906
   92   1HB   LYS  11          2HB       LYS  11  -7.064  -9.800  -4.739
   93   2HB   LYS  11          1HB       LYS  11  -6.337 -10.704  -3.418
   94   1HG   LYS  11          2HG       LYS  11  -8.324 -11.809  -3.676
   95   2HG   LYS  11          1HG       LYS  11  -8.751 -10.636  -2.427
   96   1HD   LYS  11          2HD       LYS  11 -10.495 -10.250  -3.823
   97   2HD   LYS  11          1HD       LYS  11  -9.324  -9.185  -4.602
   98   1HE   LYS  11          2HE       LYS  11  -9.928 -12.034  -5.389
   99   2HE   LYS  11          1HE       LYS  11 -10.477 -10.588  -6.237
  100   1HZ   LYS  11          1HZ       LYS  11  -8.567 -11.465  -7.347
  101   2HZ   LYS  11          2HZ       LYS  11  -7.669 -11.498  -5.914
  102   3HZ   LYS  11          3HZ       LYS  11  -8.115 -10.017  -6.597
  103    H    CYS  12           H        CYS  12  -5.280  -9.869  -1.403
  104    HA   CYS  12           HA       CYS  12  -3.309  -7.947  -1.143
  105   1HB   CYS  12          2HB       CYS  12  -3.385 -10.913  -0.893
  106   2HB   CYS  12          1HB       CYS  12  -1.800 -10.150  -0.966
  107    HG   CYS  12           HG       CYS  12  -2.410 -10.250   1.514
  108    H    GLY  13           H        GLY  13  -1.802  -7.106  -2.492
  109   1HA   GLY  13          2HA       GLY  13  -0.077  -7.347  -4.132
  110   2HA   GLY  13          1HA       GLY  13  -0.977  -8.683  -4.828
  111    H    ASP  14           H        ASP  14  -3.419  -6.737  -4.414
  112    HA   ASP  14           HA       ASP  14  -3.436  -5.831  -7.121
  113   1HB   ASP  14          2HB       ASP  14  -5.371  -6.392  -5.241
  114   2HB   ASP  14          1HB       ASP  14  -5.451  -4.637  -5.361
  115    H    LEU  15           H        LEU  15  -3.231  -3.784  -7.946
  116    HA   LEU  15           HA       LEU  15  -1.947  -1.832  -6.196
  117   1HB   LEU  15          2HB       LEU  15  -2.302  -1.812  -9.195
  118   2HB   LEU  15          1HB       LEU  15  -1.356  -0.662  -8.269
  119    HG   LEU  15           HG       LEU  15  -0.762  -3.615  -8.498
  120   1HD1  LEU  15          1HD1      LEU  15   0.636  -3.193 -10.206
  121   2HD1  LEU  15          2HD1      LEU  15   1.111  -1.618  -9.568
  122   3HD1  LEU  15          3HD1      LEU  15  -0.404  -1.790 -10.454
  123   1HD2  LEU  15          1HD2      LEU  15   1.352  -1.837  -7.582
  124   2HD2  LEU  15          2HD2      LEU  15   0.801  -3.376  -6.921
  125   3HD2  LEU  15          3HD2      LEU  15  -0.029  -1.881  -6.486
  126    H    VAL  16           H        VAL  16  -3.034  -0.188  -5.356
  127    HA   VAL  16           HA       VAL  16  -5.313   0.926  -6.814
  128    HB   VAL  16           HB       VAL  16  -6.697   0.987  -4.784
  129   1HG1  VAL  16          1HG1      VAL  16  -5.786  -1.688  -5.801
  130   2HG1  VAL  16          2HG1      VAL  16  -7.221  -0.769  -6.255
  131   3HG1  VAL  16          3HG1      VAL  16  -7.119  -1.517  -4.661
  132   1HG2  VAL  16          1HG2      VAL  16  -5.631   0.769  -2.832
  133   2HG2  VAL  16          2HG2      VAL  16  -4.248  -0.027  -3.579
  134   3HG2  VAL  16          3HG2      VAL  16  -5.672  -0.967  -3.135
  135    H    PHE  17           H        PHE  17  -6.190   2.880  -5.567
  136    HA   PHE  17           HA       PHE  17  -3.915   4.487  -4.591
  137   1HB   PHE  17          2HB       PHE  17  -6.234   5.126  -6.363
  138   2HB   PHE  17          1HB       PHE  17  -5.638   6.393  -5.295
  139    HD1  PHE  17           1HD      PHE  17  -5.440   5.240  -8.494
  140    HD2  PHE  17           2HD      PHE  17  -2.904   6.402  -5.289
  141    HE1  PHE  17           1HE      PHE  17  -3.653   5.739 -10.099
  142    HE2  PHE  17           2HE      PHE  17  -1.109   6.901  -6.884
  143    HZ   PHE  17           HZ       PHE  17  -1.476   6.575  -9.299
  144    H    ALA  18           H        ALA  18  -4.099   5.435  -2.598
  145    HA   ALA  18           HA       ALA  18  -6.660   5.047  -1.195
  146   1HB   ALA  18          1HB       ALA  18  -5.030   5.276   0.863
  147   2HB   ALA  18          2HB       ALA  18  -3.835   4.745  -0.320
  148   3HB   ALA  18          3HB       ALA  18  -5.243   3.739   0.026
  149    H    LYS  19           H        LYS  19  -7.734   6.803  -0.626
  150    HA   LYS  19           HA       LYS  19  -6.424   9.398  -0.787
  151   1HB   LYS  19          2HB       LYS  19  -8.647   8.953  -1.886
  152   2HB   LYS  19          1HB       LYS  19  -9.342   8.810  -0.277
  153   1HG   LYS  19          2HG       LYS  19  -9.774  11.007  -1.120
  154   2HG   LYS  19          1HG       LYS  19  -8.608  11.125   0.200
  155   1HD   LYS  19          2HD       LYS  19  -6.785  11.258  -1.444
  156   2HD   LYS  19          1HD       LYS  19  -7.969  11.176  -2.750
  157   1HE   LYS  19          2HE       LYS  19  -7.679  13.349  -0.682
  158   2HE   LYS  19          1HE       LYS  19  -7.345  13.471  -2.409
  159   1HZ   LYS  19          1HZ       LYS  19  -9.992  13.093  -1.122
  160   2HZ   LYS  19          2HZ       LYS  19  -9.734  12.986  -2.791
  161   3HZ   LYS  19          3HZ       LYS  19  -9.458  14.447  -1.985
  162    H    MET  20           H        MET  20  -5.806  10.529   0.918
  163    HA   MET  20           HA       MET  20  -6.902   9.828   3.560
  164   1HB   MET  20          2HB       MET  20  -4.243   9.481   2.681
  165   2HB   MET  20          1HB       MET  20  -4.222  10.864   3.765
  166   1HG   MET  20          2HG       MET  20  -5.641   9.276   5.297
  167   2HG   MET  20          1HG       MET  20  -4.873   8.021   4.327
  168   1HE   MET  20          1HE       MET  20  -2.606   7.924   3.784
  169   2HE   MET  20          2HE       MET  20  -1.699   7.466   5.226
  170   3HE   MET  20          3HE       MET  20  -1.318   8.968   4.385
  171    H    LYS  21           H        LYS  21  -6.988  11.546   5.093
  172    HA   LYS  21           HA       LYS  21  -7.720  14.043   3.978
  173   1HB   LYS  21          2HB       LYS  21  -7.820  12.755   6.550
  174   2HB   LYS  21          1HB       LYS  21  -7.236  14.403   6.735
  175   1HG   LYS  21          2HG       LYS  21  -9.371  14.663   5.006
  176   2HG   LYS  21          1HG       LYS  21  -9.901  13.427   6.148
  177   1HD   LYS  21          2HD       LYS  21  -9.368  14.912   8.012
  178   2HD   LYS  21          1HD       LYS  21  -8.806  16.142   6.880
  179   1HE   LYS  21          2HE       LYS  21 -11.609  15.037   6.989
  180   2HE   LYS  21          1HE       LYS  21 -11.096  16.565   7.703
  181   1HZ   LYS  21          1HZ       LYS  21 -11.300  17.565   5.751
  182   2HZ   LYS  21          2HZ       LYS  21 -11.985  16.151   5.128
  183   3HZ   LYS  21          3HZ       LYS  21 -10.323  16.421   4.977
  184    H    GLY  22           H        GLY  22  -6.523  15.779   3.506
  185   1HA   GLY  22          2HA       GLY  22  -4.844  17.386   3.864
  186   2HA   GLY  22          1HA       GLY  22  -4.035  16.268   4.949
  187    H    TYR  23           H        TYR  23  -4.736  14.423   2.356
  188    HA   TYR  23           HA       TYR  23  -2.555  15.314   0.649
  189   1HB   TYR  23          2HB       TYR  23  -2.427  12.454   1.515
  190   2HB   TYR  23          1HB       TYR  23  -1.143  13.502   0.928
  191    HD1  TYR  23           1HD      TYR  23  -0.348  15.378   2.507
  192    HD2  TYR  23           2HD      TYR  23  -2.675  12.061   3.801
  193    HE1  TYR  23           1HE      TYR  23   0.386  15.773   4.820
  194    HE2  TYR  23           2HE      TYR  23  -1.950  12.448   6.118
  195    HH   TYR  23           HH       TYR  23  -1.085  14.291   7.495
  196    HA   PRO  24           HA       PRO  24  -5.219  13.544  -2.392
  197   1HB   PRO  24          2HB       PRO  24  -3.567  13.413  -4.504
  198   2HB   PRO  24          1HB       PRO  24  -4.107  14.960  -3.840
  199   1HG   PRO  24          2HG       PRO  24  -1.509  13.531  -3.447
  200   2HG   PRO  24          1HG       PRO  24  -1.810  15.259  -3.703
  201   1HD   PRO  24          2HD       PRO  24  -1.345  14.122  -1.246
  202   2HD   PRO  24          1HD       PRO  24  -2.245  15.631  -1.490
  203    H    HIS  25           H        HIS  25  -5.333  11.736  -4.021
  204    HA   HIS  25           HA       HIS  25  -5.027   9.258  -2.868
  205   1HB   HIS  25          2HB       HIS  25  -4.903   9.794  -5.844
  206   2HB   HIS  25          1HB       HIS  25  -5.439   8.316  -5.053
  207    HD1  HIS  25           1HD      HIS  25  -6.513  11.873  -5.671
  208    HD2  HIS  25           2HD      HIS  25  -8.085   8.294  -4.265
  209    HE1  HIS  25           1HE      HIS  25  -8.992  12.256  -5.482
  210    HE2  HIS  25           2HE      HIS  25  -9.910  10.104  -4.547
  211    H    TRP  26           H        TRP  26  -3.208   8.256  -2.225
  212    HA   TRP  26           HA       TRP  26  -0.693   8.771  -3.640
  213   1HB   TRP  26          2HB       TRP  26  -1.131   8.873  -1.028
  214   2HB   TRP  26          1HB       TRP  26  -0.831   7.144  -1.142
  215    HD1  TRP  26           HD       TRP  26   1.667   6.453  -2.180
  216    HE1  TRP  26           1HE      TRP  26   3.927   7.650  -1.844
  217    HE3  TRP  26           3HE      TRP  26  -0.038  11.052  -0.737
  218    HZ2  TRP  26           2HZ      TRP  26   4.851  10.207  -1.076
  219    HZ3  TRP  26           3HZ      TRP  26   1.582  12.808  -0.226
  220    HH2  TRP  26           HH       TRP  26   3.966  12.398  -0.390
  221    HA   PRO  27           HA       PRO  27  -0.891   4.850  -5.768
  222   1HB   PRO  27          2HB       PRO  27   2.067   4.935  -5.525
  223   2HB   PRO  27          1HB       PRO  27   1.064   4.761  -6.968
  224   1HG   PRO  27          2HG       PRO  27   2.342   7.052  -6.408
  225   2HG   PRO  27          1HG       PRO  27   0.752   7.035  -7.188
  226   1HD   PRO  27          2HD       PRO  27   1.479   7.691  -4.376
  227   2HD   PRO  27          1HD       PRO  27   0.185   8.352  -5.393
  228    H    ALA  28           H        ALA  28  -1.406   3.050  -4.685
  229    HA   ALA  28           HA       ALA  28   0.512   2.000  -2.741
  230   1HB   ALA  28          1HB       ALA  28  -1.920   3.293  -2.042
  231   2HB   ALA  28          2HB       ALA  28  -0.713   2.560  -0.986
  232   3HB   ALA  28          3HB       ALA  28  -2.044   1.588  -1.610
  233    H    ARG  29           H        ARG  29  -0.342  -0.163  -1.852
  234    HA   ARG  29           HA       ARG  29  -1.795  -1.709  -3.865
  235   1HB   ARG  29          2HB       ARG  29   0.674  -1.816  -4.356
  236   2HB   ARG  29          1HB       ARG  29   0.889  -2.586  -2.790
  237   1HG   ARG  29          2HG       ARG  29  -0.878  -4.276  -3.702
  238   2HG   ARG  29          1HG       ARG  29  -0.371  -3.651  -5.271
  239   1HD   ARG  29          2HD       ARG  29   1.208  -5.245  -5.125
  240   2HD   ARG  29          1HD       ARG  29   2.028  -4.074  -4.092
  241    HE   ARG  29           HE       ARG  29   0.373  -5.530  -2.433
  242   1HH1  ARG  29          1HH1      ARG  29   3.061  -6.193  -4.559
  243   2HH1  ARG  29          2HH1      ARG  29   3.612  -7.554  -3.640
  244   1HH2  ARG  29          1HH2      ARG  29   1.097  -7.318  -1.225
  245   2HH2  ARG  29          2HH2      ARG  29   2.499  -8.193  -1.747
  246    H    ILE  30           H        ILE  30  -2.577  -3.767  -3.047
  247    HA   ILE  30           HA       ILE  30  -3.269  -3.638  -0.246
  248    HB   ILE  30           HB       ILE  30  -3.846  -5.846  -2.232
  249   1HG1  ILE  30          2HG1      ILE  30  -4.727  -3.631  -2.948
  250   2HG1  ILE  30          1HG1      ILE  30  -6.001  -4.793  -2.592
  251   1HG2  ILE  30          1HG2      ILE  30  -5.726  -5.393  -0.049
  252   2HG2  ILE  30          2HG2      ILE  30  -4.120  -5.874   0.497
  253   3HG2  ILE  30          3HG2      ILE  30  -5.009  -6.892  -0.637
  254   1HD1  ILE  30          1HD1      ILE  30  -5.173  -3.045  -0.368
  255   2HD1  ILE  30          2HD1      ILE  30  -6.777  -3.604  -0.845
  256   3HD1  ILE  30          3HD1      ILE  30  -6.013  -2.272  -1.712
  257    H    ASP  31           H        ASP  31  -2.389  -4.823   1.395
  258    HA   ASP  31           HA       ASP  31  -0.363  -6.819   0.665
  259   1HB   ASP  31          2HB       ASP  31  -0.001  -4.359   2.088
  260   2HB   ASP  31          1HB       ASP  31   0.363  -5.706   3.163
  261    H    GLU  32           H        GLU  32  -3.074  -6.033   2.650
  262    HA   GLU  32           HA       GLU  32  -3.248  -8.725   3.578
  263   1HB   GLU  32          2HB       GLU  32  -1.734  -6.999   5.175
  264   2HB   GLU  32          1HB       GLU  32  -3.295  -7.108   5.979
  265   1HG   GLU  32          2HG       GLU  32  -1.916  -9.593   5.071
  266   2HG   GLU  32          1HG       GLU  32  -1.405  -8.791   6.556
  267    H    MET  33           H        MET  33  -5.190  -9.126   4.831
  268    HA   MET  33           HA       MET  33  -7.148  -6.998   5.003
  269   1HB   MET  33          2HB       MET  33  -8.818  -8.420   3.688
  270   2HB   MET  33          1HB       MET  33  -7.606  -7.542   2.766
  271   1HG   MET  33          2HG       MET  33  -6.524 -10.078   3.378
  272   2HG   MET  33          1HG       MET  33  -8.168 -10.330   2.795
  273   1HE   MET  33          1HE       MET  33  -8.633  -8.992  -0.304
  274   2HE   MET  33          2HE       MET  33  -7.684  -7.532  -0.024
  275   3HE   MET  33          3HE       MET  33  -8.766  -8.133   1.230
  276    HA   PRO  34           HA       PRO  34  -8.842  -9.135   8.452
  277   1HB   PRO  34          2HB       PRO  34 -11.457  -9.264   7.027
  278   2HB   PRO  34          1HB       PRO  34 -11.086  -8.652   8.643
  279   1HG   PRO  34          2HG       PRO  34 -11.550  -6.971   6.633
  280   2HG   PRO  34          1HG       PRO  34 -10.298  -6.623   7.840
  281   1HD   PRO  34          2HD       PRO  34 -10.013  -7.587   5.030
  282   2HD   PRO  34          1HD       PRO  34  -8.971  -6.491   5.960
  283    H    GLU  35           H        GLU  35  -8.007 -11.151   8.560
  284    HA   GLU  35           HA       GLU  35  -8.863 -13.204   6.705
  285   1HB   GLU  35          2HB       GLU  35  -6.557 -12.739   8.307
  286   2HB   GLU  35          1HB       GLU  35  -7.242 -14.290   8.771
  287   1HG   GLU  35          2HG       GLU  35  -7.241 -14.933   6.367
  288   2HG   GLU  35          1HG       GLU  35  -6.380 -13.434   6.022
  289    H    ALA  36           H        ALA  36  -8.373 -13.478  10.175
  290    HA   ALA  36           HA       ALA  36 -11.078 -14.028  10.828
  291   1HB   ALA  36          1HB       ALA  36  -9.632 -16.504  11.350
  292   2HB   ALA  36          2HB       ALA  36  -9.824 -16.171   9.629
  293   3HB   ALA  36          3HB       ALA  36 -11.242 -16.257  10.674
  294    H    ALA  37           H        ALA  37  -7.679 -14.430  11.537
  295    HA   ALA  37           HA       ALA  37  -8.118 -13.408  14.223
  296   1HB   ALA  37          1HB       ALA  37  -6.195 -15.649  14.037
  297   2HB   ALA  37          2HB       ALA  37  -7.909 -16.064  13.993
  298   3HB   ALA  37          3HB       ALA  37  -7.252 -15.172  15.366
  299    H    VAL  38           H        VAL  38  -7.115 -11.506  13.634
  300    HA   VAL  38           HA       VAL  38  -4.212 -11.681  13.294
  301    HB   VAL  38           HB       VAL  38  -5.851  -9.797  11.606
  302   1HG1  VAL  38          1HG1      VAL  38  -2.960 -10.549  11.766
  303   2HG1  VAL  38          2HG1      VAL  38  -3.699  -8.948  11.760
  304   3HG1  VAL  38          3HG1      VAL  38  -3.641  -9.900  10.275
  305   1HG2  VAL  38          1HG2      VAL  38  -5.263 -12.642  11.179
  306   2HG2  VAL  38          2HG2      VAL  38  -4.829 -11.594   9.830
  307   3HG2  VAL  38          3HG2      VAL  38  -6.486 -11.611  10.434
  308    H    LYS  39           H        LYS  39  -6.597 -10.602  15.155
  309    HA   LYS  39           HA       LYS  39  -6.758  -9.044  16.789
  310   1HB   LYS  39          2HB       LYS  39  -3.962  -8.151  16.117
  311   2HB   LYS  39          1HB       LYS  39  -4.791  -8.061  17.664
  312   1HG   LYS  39          2HG       LYS  39  -4.518 -10.776  16.599
  313   2HG   LYS  39          1HG       LYS  39  -2.991  -9.970  16.965
  314   1HD   LYS  39          2HD       LYS  39  -3.778  -9.498  19.230
  315   2HD   LYS  39          1HD       LYS  39  -5.317 -10.280  18.864
  316   1HE   LYS  39          2HE       LYS  39  -4.269 -12.043  19.839
  317   2HE   LYS  39          1HE       LYS  39  -3.686 -12.273  18.191
  318   1HZ   LYS  39          1HZ       LYS  39  -1.693 -10.972  18.831
  319   2HZ   LYS  39          2HZ       LYS  39  -1.846 -12.430  19.673
  320   3HZ   LYS  39          3HZ       LYS  39  -2.240 -10.971  20.432
  321    H    SER  40           H        SER  40  -4.594  -7.305  14.551
  322    HA   SER  40           HA       SER  40  -6.118  -4.919  14.717
  323   1HB   SER  40          2HB       SER  40  -4.306  -5.364  12.393
  324   2HB   SER  40          1HB       SER  40  -4.461  -3.959  13.446
  325    HG   SER  40           HG       SER  40  -3.459  -5.319  15.098
  326    H    THR  41           H        THR  41  -8.182  -4.989  14.018
  327    HA   THR  41           HA       THR  41  -8.680  -5.103  11.216
  328    HB   THR  41           HB       THR  41 -10.487  -6.998  11.670
  329    HG1  THR  41           1HG      THR  41  -8.380  -7.671  13.443
  330   1HG2  THR  41          1HG2      THR  41  -8.037  -6.943  10.371
  331   2HG2  THR  41          2HG2      THR  41  -9.294  -8.173  10.227
  332   3HG2  THR  41          3HG2      THR  41  -7.982  -8.384  11.386
  333    H    ALA  42           H        ALA  42 -10.606  -4.187  10.657
  334    HA   ALA  42           HA       ALA  42 -12.803  -3.843  12.406
  335   1HB   ALA  42          1HB       ALA  42 -10.758  -2.133  13.033
  336   2HB   ALA  42          2HB       ALA  42 -12.461  -1.869  13.406
  337   3HB   ALA  42          3HB       ALA  42 -11.754  -1.154  11.956
  338    H    ASN  43           H        ASN  43 -12.481  -4.723   9.792
  339    HA   ASN  43           HA       ASN  43 -13.488  -4.555   7.763
  340   1HB   ASN  43          2HB       ASN  43 -15.252  -3.320   9.393
  341   2HB   ASN  43          1HB       ASN  43 -14.839  -1.980   8.326
  342   1HD2  ASN  43          1HD2      ASN  43 -14.902  -2.535   5.958
  343   2HD2  ASN  43          2HD2      ASN  43 -16.223  -3.512   5.424
  344    H    LYS  44           H        LYS  44 -10.934  -3.553   8.110
  345    HA   LYS  44           HA       LYS  44 -10.881  -1.503   6.017
  346   1HB   LYS  44          2HB       LYS  44  -8.809  -1.232   8.111
  347   2HB   LYS  44          1HB       LYS  44  -9.641   0.007   7.184
  348   1HG   LYS  44          2HG       LYS  44 -11.270   0.260   8.726
  349   2HG   LYS  44          1HG       LYS  44 -11.277  -1.449   9.167
  350   1HD   LYS  44          2HD       LYS  44  -9.690  -1.183  10.764
  351   2HD   LYS  44          1HD       LYS  44  -8.845   0.078   9.866
  352   1HE   LYS  44          2HE       LYS  44 -11.532   0.780  10.854
  353   2HE   LYS  44          1HE       LYS  44 -10.301   0.530  12.090
  354   1HZ   LYS  44          1HZ       LYS  44  -9.621   2.210   9.792
  355   2HZ   LYS  44          2HZ       LYS  44  -9.107   2.322  11.400
  356   3HZ   LYS  44          3HZ       LYS  44 -10.652   2.857  10.967
  357    H    TYR  45           H        TYR  45  -9.139  -1.595   4.632
  358    HA   TYR  45           HA       TYR  45  -7.635  -4.107   4.704
  359   1HB   TYR  45          2HB       TYR  45  -7.936  -2.029   2.520
  360   2HB   TYR  45          1HB       TYR  45  -7.037  -3.535   2.364
  361    HD1  TYR  45           1HD      TYR  45 -10.399  -2.073   2.744
  362    HD2  TYR  45           2HD      TYR  45  -8.161  -5.614   2.002
  363    HE1  TYR  45           1HE      TYR  45 -12.461  -3.224   2.060
  364    HE2  TYR  45           2HE      TYR  45 -10.217  -6.775   1.313
  365    HH   TYR  45           HH       TYR  45 -12.947  -6.242   1.995
  366    H    GLN  46           H        GLN  46  -5.341  -4.140   4.347
  367    HA   GLN  46           HA       GLN  46  -4.000  -1.769   5.442
  368   1HB   GLN  46          2HB       GLN  46  -3.768  -4.232   6.360
  369   2HB   GLN  46          1HB       GLN  46  -2.617  -4.394   5.040
  370   1HG   GLN  46          2HG       GLN  46  -1.441  -2.373   5.958
  371   2HG   GLN  46          1HG       GLN  46  -2.492  -2.498   7.368
  372   1HE2  GLN  46          1HE2      GLN  46  -0.086  -4.221   5.463
  373   2HE2  GLN  46          2HE2      GLN  46   0.501  -5.206   6.755
  374    H    VAL  47           H        VAL  47  -3.418  -0.429   3.858
  375    HA   VAL  47           HA       VAL  47  -2.378  -1.556   1.365
  376    HB   VAL  47           HB       VAL  47  -2.764   0.581   0.335
  377   1HG1  VAL  47          1HG1      VAL  47  -5.291   0.847   1.067
  378   2HG1  VAL  47          2HG1      VAL  47  -4.955  -0.671   1.899
  379   3HG1  VAL  47          3HG1      VAL  47  -4.731  -0.553   0.153
  380   1HG2  VAL  47          1HG2      VAL  47  -2.420   2.376   1.640
  381   2HG2  VAL  47          2HG2      VAL  47  -2.866   1.510   3.111
  382   3HG2  VAL  47          3HG2      VAL  47  -4.120   2.193   2.075
  383    H    PHE  48           H        PHE  48  -0.506  -0.808   0.409
  384    HA   PHE  48           HA       PHE  48   1.495   0.235   2.304
  385   1HB   PHE  48          2HB       PHE  48   1.878  -2.022   1.262
  386   2HB   PHE  48          1HB       PHE  48   1.974  -1.225  -0.305
  387    HD1  PHE  48           1HD      PHE  48   4.146  -1.286  -1.044
  388    HD2  PHE  48           2HD      PHE  48   3.386  -0.368   3.042
  389    HE1  PHE  48           1HE      PHE  48   6.546  -0.879  -0.694
  390    HE2  PHE  48           2HE      PHE  48   5.786   0.041   3.400
  391    HZ   PHE  48           HZ       PHE  48   7.369  -0.215   1.530
  392    H    PHE  49           H        PHE  49   2.259   2.224   1.995
  393    HA   PHE  49           HA       PHE  49   1.534   3.698  -0.416
  394   1HB   PHE  49          2HB       PHE  49   2.828   4.624   2.162
  395   2HB   PHE  49          1HB       PHE  49   2.368   5.675   0.828
  396    HD1  PHE  49           1HD      PHE  49   1.430   4.701   3.951
  397    HD2  PHE  49           2HD      PHE  49  -0.222   5.135   0.055
  398    HE1  PHE  49           1HE      PHE  49  -0.808   4.932   4.929
  399    HE2  PHE  49           2HE      PHE  49  -2.467   5.368   1.029
  400    HZ   PHE  49           HZ       PHE  49  -2.764   5.264   3.472
  401    H    PHE  50           H        PHE  50   2.929   3.398  -2.073
  402    HA   PHE  50           HA       PHE  50   5.605   2.620  -1.851
  403   1HB   PHE  50          2HB       PHE  50   4.039   3.920  -4.073
  404   2HB   PHE  50          1HB       PHE  50   5.749   3.544  -4.253
  405    HD1  PHE  50           1HD      PHE  50   6.334   1.049  -3.432
  406    HD2  PHE  50           2HD      PHE  50   2.568   2.377  -4.904
  407    HE1  PHE  50           1HE      PHE  50   5.762  -1.264  -4.043
  408    HE2  PHE  50           2HE      PHE  50   1.989   0.062  -5.513
  409    HZ   PHE  50           HZ       PHE  50   3.587  -1.760  -5.084
  410    H    GLY  51           H        GLY  51   7.398   4.043  -2.962
  411   1HA   GLY  51          2HA       GLY  51   8.740   5.912  -2.883
  412   2HA   GLY  51          1HA       GLY  51   7.302   6.857  -2.522
  413    H    THR  52           H        THR  52   6.425   6.265  -0.198
  414    HA   THR  52           HA       THR  52   8.618   6.861   1.623
  415    HB   THR  52           HB       THR  52   6.853   7.412   3.227
  416    HG1  THR  52           1HG      THR  52   4.735   7.097   2.755
  417   1HG2  THR  52          1HG2      THR  52   6.965   9.386   2.214
  418   2HG2  THR  52          2HG2      THR  52   5.464   8.918   1.414
  419   3HG2  THR  52          3HG2      THR  52   7.012   8.659   0.608
  420    H    HIS  53           H        HIS  53   6.548   4.242   0.755
  421    HA   HIS  53           HA       HIS  53   6.429   2.072   1.447
  422   1HB   HIS  53          2HB       HIS  53   9.003   2.906   2.774
  423   2HB   HIS  53          1HB       HIS  53   8.322   1.307   3.045
  424    HD1  HIS  53           1HD      HIS  53  11.014   1.424   1.745
  425    HD2  HIS  53           2HD      HIS  53   7.478   1.533  -0.431
  426    HE1  HIS  53           1HE      HIS  53  11.624   0.645  -0.565
  427    HE2  HIS  53           2HE      HIS  53   9.493   0.830  -1.892
  428    H    GLU  54           H        GLU  54   4.998   4.146   2.810
  429    HA   GLU  54           HA       GLU  54   5.038   3.368   5.624
  430   1HB   GLU  54          2HB       GLU  54   3.321   5.407   4.196
  431   2HB   GLU  54          1HB       GLU  54   3.416   5.178   5.938
  432   1HG   GLU  54          2HG       GLU  54   5.741   5.857   5.928
  433   2HG   GLU  54          1HG       GLU  54   5.711   6.012   4.172
  434    H    THR  55           H        THR  55   3.105   2.641   6.733
  435    HA   THR  55           HA       THR  55   1.213   1.295   4.931
  436    HB   THR  55           HB       THR  55   1.172  -0.206   7.251
  437    HG1  THR  55           1HG      THR  55   3.348  -0.634   7.689
  438   1HG2  THR  55          1HG2      THR  55   3.114  -1.287   5.434
  439   2HG2  THR  55          2HG2      THR  55   1.724  -0.643   4.559
  440   3HG2  THR  55          3HG2      THR  55   1.489  -1.856   5.819
  441    H    ALA  56           H        ALA  56  -0.900   1.229   5.452
  442    HA   ALA  56           HA       ALA  56  -1.840   2.337   7.960
  443   1HB   ALA  56          1HB       ALA  56  -2.303   3.746   5.344
  444   2HB   ALA  56          2HB       ALA  56  -1.437   4.362   6.750
  445   3HB   ALA  56          3HB       ALA  56  -3.181   4.100   6.835
  446    H    PHE  57           H        PHE  57  -4.328   2.491   7.907
  447    HA   PHE  57           HA       PHE  57  -5.372   0.206   6.375
  448   1HB   PHE  57          2HB       PHE  57  -6.007   1.144   9.171
  449   2HB   PHE  57          1HB       PHE  57  -7.049   0.031   8.291
  450    HD1  PHE  57           1HD      PHE  57  -3.436   0.419   9.146
  451    HD2  PHE  57           2HD      PHE  57  -6.752  -2.207   8.675
  452    HE1  PHE  57           1HE      PHE  57  -2.044  -1.466   9.897
  453    HE2  PHE  57           2HE      PHE  57  -5.366  -4.097   9.426
  454    HZ   PHE  57           HZ       PHE  57  -3.009  -3.727  10.039
  455    H    LEU  58           H        LEU  58  -6.975   0.631   4.999
  456    HA   LEU  58           HA       LEU  58  -8.706   2.935   5.502
  457   1HB   LEU  58          2HB       LEU  58  -7.208   2.416   2.939
  458   2HB   LEU  58          1HB       LEU  58  -8.538   3.549   3.078
  459    HG   LEU  58           HG       LEU  58  -6.374   3.973   5.025
  460   1HD1  LEU  58          1HD1      LEU  58  -5.189   5.249   3.014
  461   2HD1  LEU  58          2HD1      LEU  58  -5.848   3.885   2.113
  462   3HD1  LEU  58          3HD1      LEU  58  -4.763   3.600   3.474
  463   1HD2  LEU  58          1HD2      LEU  58  -7.521   5.934   3.071
  464   2HD2  LEU  58          2HD2      LEU  58  -6.873   6.222   4.685
  465   3HD2  LEU  58          3HD2      LEU  58  -8.432   5.419   4.491
  466    H    GLY  59           H        GLY  59 -10.648   2.941   4.093
  467   1HA   GLY  59          2HA       GLY  59 -11.619   0.198   3.797
  468   2HA   GLY  59          1HA       GLY  59 -12.609   1.649   3.849
  469    HA   PRO  60           HA       PRO  60 -11.880   0.103  -0.589
  470   1HB   PRO  60          2HB       PRO  60 -14.475  -0.535  -1.145
  471   2HB   PRO  60          1HB       PRO  60 -13.298  -1.697  -0.522
  472   1HG   PRO  60          2HG       PRO  60 -15.408  -0.162   0.947
  473   2HG   PRO  60          1HG       PRO  60 -14.932  -1.862   1.121
  474   1HD   PRO  60          2HD       PRO  60 -14.109   0.043   2.845
  475   2HD   PRO  60          1HD       PRO  60 -13.091  -1.347   2.416
  476    H    LYS  61           H        LYS  61 -14.048   2.250   1.076
  477    HA   LYS  61           HA       LYS  61 -15.102   3.582  -1.196
  478   1HB   LYS  61          2HB       LYS  61 -14.733   4.723   1.576
  479   2HB   LYS  61          1HB       LYS  61 -15.878   5.254   0.352
  480   1HG   LYS  61          2HG       LYS  61 -16.529   2.612   0.658
  481   2HG   LYS  61          1HG       LYS  61 -16.077   3.092   2.295
  482   1HD   LYS  61          2HD       LYS  61 -17.851   4.480   2.519
  483   2HD   LYS  61          1HD       LYS  61 -17.808   4.979   0.827
  484   1HE   LYS  61          2HE       LYS  61 -19.312   3.435   0.222
  485   2HE   LYS  61          1HE       LYS  61 -18.535   2.177   1.182
  486   1HZ   LYS  61          1HZ       LYS  61 -20.323   2.341   2.478
  487   2HZ   LYS  61          2HZ       LYS  61 -20.804   3.819   1.813
  488   3HZ   LYS  61          3HZ       LYS  61 -19.655   3.786   3.054
  489    H    ASP  62           H        ASP  62 -12.162   3.851   0.638
  490    HA   ASP  62           HA       ASP  62 -11.406   6.284  -0.817
  491   1HB   ASP  62          2HB       ASP  62 -10.259   4.929   1.624
  492   2HB   ASP  62          1HB       ASP  62  -9.427   6.240   0.791
  493    H    LEU  63           H        LEU  63 -11.387   3.224  -1.590
  494    HA   LEU  63           HA       LEU  63  -8.616   3.152  -2.566
  495   1HB   LEU  63          2HB       LEU  63 -10.570   1.077  -1.744
  496   2HB   LEU  63          1HB       LEU  63  -9.524   0.677  -3.092
  497    HG   LEU  63           HG       LEU  63  -7.571   0.855  -1.765
  498   1HD1  LEU  63          1HD1      LEU  63  -9.292   2.485  -0.035
  499   2HD1  LEU  63          2HD1      LEU  63  -7.562   2.598  -0.352
  500   3HD1  LEU  63          3HD1      LEU  63  -8.170   1.422   0.814
  501   1HD2  LEU  63          1HD2      LEU  63  -9.455  -1.023  -1.304
  502   2HD2  LEU  63          2HD2      LEU  63  -9.225  -0.385   0.324
  503   3HD2  LEU  63          3HD2      LEU  63  -7.850  -1.030  -0.572
  504    H    PHE  64           H        PHE  64  -8.199   3.076  -4.719
  505    HA   PHE  64           HA       PHE  64 -10.457   2.789  -6.576
  506   1HB   PHE  64          2HB       PHE  64  -8.351   4.938  -6.883
  507   2HB   PHE  64          1HB       PHE  64  -9.807   4.721  -7.846
  508    HD1  PHE  64           1HD      PHE  64 -11.570   6.115  -7.415
  509    HD2  PHE  64           2HD      PHE  64  -8.843   5.225  -4.272
  510    HE1  PHE  64           1HE      PHE  64 -12.787   7.651  -5.929
  511    HE2  PHE  64           2HE      PHE  64 -10.057   6.758  -2.780
  512    HZ   PHE  64           HZ       PHE  64 -12.031   7.974  -3.607
  513    HA   PRO  65           HA       PRO  65  -7.642   0.296  -8.895
  514   1HB   PRO  65          2HB       PRO  65  -8.728   1.221 -11.432
  515   2HB   PRO  65          1HB       PRO  65  -8.931  -0.342 -10.645
  516   1HG   PRO  65          2HG       PRO  65 -10.955   1.452 -10.918
  517   2HG   PRO  65          1HG       PRO  65 -10.857   0.295  -9.579
  518   1HD   PRO  65          2HD       PRO  65 -10.158   3.206  -9.625
  519   2HD   PRO  65          1HD       PRO  65 -10.975   2.261  -8.362
  520    H    TYR  66           H        TYR  66  -5.567   0.954  -8.916
  521    HA   TYR  66           HA       TYR  66  -4.538   3.412  -9.538
  522   1HB   TYR  66          2HB       TYR  66  -3.188   1.706  -8.477
  523   2HB   TYR  66          1HB       TYR  66  -3.232   0.714  -9.933
  524    HD1  TYR  66           1HD      TYR  66  -1.974   3.905  -8.538
  525    HD2  TYR  66           2HD      TYR  66  -1.692   1.063 -11.691
  526    HE1  TYR  66           1HE      TYR  66   0.050   5.032  -9.368
  527    HE2  TYR  66           2HE      TYR  66   0.330   2.180 -12.529
  528    HH   TYR  66           HH       TYR  66   2.107   3.645 -11.690
  529    H    GLU  67           H        GLU  67  -4.588   0.634 -11.781
  530    HA   GLU  67           HA       GLU  67  -3.543   1.872 -14.011
  531   1HB   GLU  67          2HB       GLU  67  -5.075  -0.516 -13.464
  532   2HB   GLU  67          1HB       GLU  67  -5.565   0.186 -14.999
  533   1HG   GLU  67          2HG       GLU  67  -2.685   0.131 -14.699
  534   2HG   GLU  67          1HG       GLU  67  -3.403  -1.472 -14.555
  535    H    GLU  68           H        GLU  68  -6.870   1.895 -12.873
  536    HA   GLU  68           HA       GLU  68  -7.932   3.288 -15.101
  537   1HB   GLU  68          2HB       GLU  68  -9.007   2.832 -12.326
  538   2HB   GLU  68          1HB       GLU  68  -9.912   3.647 -13.592
  539   1HG   GLU  68          2HG       GLU  68  -9.281   1.434 -14.921
  540   2HG   GLU  68          1HG       GLU  68  -9.237   0.784 -13.283
  541    H    SER  69           H        SER  69  -6.750   4.353 -11.938
  542    HA   SER  69           HA       SER  69  -7.347   7.117 -12.739
  543   1HB   SER  69          2HB       SER  69  -6.391   6.476  -9.990
  544   2HB   SER  69          1HB       SER  69  -7.556   7.686 -10.524
  545    HG   SER  69           HG       SER  69  -8.601   5.986  -9.449
  546    H    LYS  70           H        LYS  70  -4.858   5.188 -13.241
  547    HA   LYS  70           HA       LYS  70  -2.635   6.380 -12.060
  548   1HB   LYS  70          2HB       LYS  70  -1.327   5.376 -13.856
  549   2HB   LYS  70          1HB       LYS  70  -2.536   4.250 -13.256
  550   1HG   LYS  70          2HG       LYS  70  -3.983   5.013 -15.202
  551   2HG   LYS  70          1HG       LYS  70  -2.522   5.766 -15.843
  552   1HD   LYS  70          2HD       LYS  70  -2.067   3.024 -14.987
  553   2HD   LYS  70          1HD       LYS  70  -3.322   3.141 -16.223
  554   1HE   LYS  70          2HE       LYS  70  -1.269   4.852 -17.064
  555   2HE   LYS  70          1HE       LYS  70  -0.465   3.395 -16.481
  556   1HZ   LYS  70          1HZ       LYS  70  -0.980   3.178 -18.806
  557   2HZ   LYS  70          2HZ       LYS  70  -2.614   3.515 -18.528
  558   3HZ   LYS  70          3HZ       LYS  70  -1.931   2.088 -17.928
  559    H    GLU  71           H        GLU  71  -4.211   7.162 -15.149
  560    HA   GLU  71           HA       GLU  71  -2.382   9.185 -15.883
  561   1HB   GLU  71          2HB       GLU  71  -5.229   8.682 -16.748
  562   2HB   GLU  71          1HB       GLU  71  -4.169   9.868 -17.496
  563   1HG   GLU  71          2HG       GLU  71  -2.965   7.227 -17.325
  564   2HG   GLU  71          1HG       GLU  71  -4.465   7.244 -18.252
  565    H    LYS  72           H        LYS  72  -5.381   9.280 -14.028
  566    HA   LYS  72           HA       LYS  72  -5.436  12.166 -13.995
  567   1HB   LYS  72          2HB       LYS  72  -7.391  11.923 -12.547
  568   2HB   LYS  72          1HB       LYS  72  -7.530  10.920 -13.984
  569   1HG   LYS  72          2HG       LYS  72  -6.989   8.951 -12.737
  570   2HG   LYS  72          1HG       LYS  72  -6.630   9.906 -11.300
  571   1HD   LYS  72          2HD       LYS  72  -8.764   9.228 -10.815
  572   2HD   LYS  72          1HD       LYS  72  -9.099  10.748 -11.647
  573   1HE   LYS  72          2HE       LYS  72  -9.776   9.673 -13.597
  574   2HE   LYS  72          1HE       LYS  72  -8.959   8.172 -13.166
  575   1HZ   LYS  72          1HZ       LYS  72 -10.930   7.477 -12.455
  576   2HZ   LYS  72          2HZ       LYS  72 -11.617   9.018 -12.571
  577   3HZ   LYS  72          3HZ       LYS  72 -10.788   8.566 -11.168
  578    H    PHE  73           H        PHE  73  -4.627   9.607 -11.674
  579    HA   PHE  73           HA       PHE  73  -3.884  11.649  -9.712
  580   1HB   PHE  73          2HB       PHE  73  -3.990   8.644  -9.419
  581   2HB   PHE  73          1HB       PHE  73  -3.729   9.803  -8.122
  582    HD1  PHE  73           1HD      PHE  73  -5.890   7.669  -8.285
  583    HD2  PHE  73           2HD      PHE  73  -5.851  11.788  -9.358
  584    HE1  PHE  73           1HE      PHE  73  -8.318   7.787  -7.906
  585    HE2  PHE  73           2HE      PHE  73  -8.279  11.913  -8.978
  586    HZ   PHE  73           HZ       PHE  73  -9.514   9.911  -8.250
  587    H    GLY  74           H        GLY  74  -2.362   9.727 -12.079
  588   1HA   GLY  74          2HA       GLY  74   0.139   9.466 -10.645
  589   2HA   GLY  74          1HA       GLY  74  -0.166   8.983 -12.304
  590    H    LYS  75           H        LYS  75   0.337  11.842 -10.248
  591    HA   LYS  75           HA       LYS  75   2.053  12.974 -12.284
  592   1HB   LYS  75          2HB       LYS  75  -0.519  14.284 -11.415
  593   2HB   LYS  75          1HB       LYS  75   0.811  15.195 -12.118
  594   1HG   LYS  75          2HG       LYS  75   0.566  13.281 -13.974
  595   2HG   LYS  75          1HG       LYS  75  -1.097  13.337 -13.386
  596   1HD   LYS  75          2HD       LYS  75   0.304  15.895 -14.016
  597   2HD   LYS  75          1HD       LYS  75  -0.301  14.902 -15.343
  598   1HE   LYS  75          2HE       LYS  75  -1.967  16.541 -14.718
  599   2HE   LYS  75          1HE       LYS  75  -2.536  14.923 -14.310
  600   1HZ   LYS  75          1HZ       LYS  75  -2.850  16.746 -12.590
  601   2HZ   LYS  75          2HZ       LYS  75  -1.185  16.637 -12.315
  602   3HZ   LYS  75          3HZ       LYS  75  -2.176  15.292 -12.050
  603    HA   PRO  76           HA       PRO  76   4.559  14.457  -8.985
  604   1HB   PRO  76          2HB       PRO  76   4.157  17.165 -10.202
  605   2HB   PRO  76          1HB       PRO  76   5.650  16.393  -9.652
  606   1HG   PRO  76          2HG       PRO  76   5.083  16.470 -12.235
  607   2HG   PRO  76          1HG       PRO  76   5.770  15.003 -11.512
  608   1HD   PRO  76          2HD       PRO  76   2.977  15.546 -12.401
  609   2HD   PRO  76          1HD       PRO  76   3.896  14.027 -12.424
  610    H    ASN  77           H        ASN  77   4.164  15.008  -6.947
  611    HA   ASN  77           HA       ASN  77   1.685  16.494  -6.375
  612   1HB   ASN  77          2HB       ASN  77   2.177  14.040  -5.556
  613   2HB   ASN  77          1HB       ASN  77   3.086  14.867  -4.296
  614   1HD2  ASN  77          1HD2      ASN  77   1.740  14.309  -2.646
  615   2HD2  ASN  77          2HD2      ASN  77   0.135  14.923  -2.481
  616    H    LYS  78           H        LYS  78   1.779  17.539  -4.099
  617    HA   LYS  78           HA       LYS  78   4.123  19.293  -4.082
  618   1HB   LYS  78          2HB       LYS  78   1.487  19.924  -4.034
  619   2HB   LYS  78          1HB       LYS  78   1.834  19.895  -2.311
  620   1HG   LYS  78          2HG       LYS  78   2.141  22.120  -3.007
  621   2HG   LYS  78          1HG       LYS  78   3.760  21.449  -2.793
  622   1HD   LYS  78          2HD       LYS  78   4.266  21.938  -4.902
  623   2HD   LYS  78          1HD       LYS  78   2.913  20.961  -5.474
  624   1HE   LYS  78          2HE       LYS  78   2.206  23.608  -4.392
  625   2HE   LYS  78          1HE       LYS  78   3.145  23.622  -5.884
  626   1HZ   LYS  78          1HZ       LYS  78   1.484  22.580  -7.047
  627   2HZ   LYS  78          2HZ       LYS  78   0.572  23.516  -5.975
  628   3HZ   LYS  78          3HZ       LYS  78   0.797  21.867  -5.675
  629    H    ARG  79           H        ARG  79   2.569  16.803  -2.268
  630    HA   ARG  79           HA       ARG  79   3.640  17.413   0.290
  631   1HB   ARG  79          2HB       ARG  79   2.364  15.037  -0.977
  632   2HB   ARG  79          1HB       ARG  79   3.261  14.795   0.513
  633   1HG   ARG  79          2HG       ARG  79   1.079  15.124   1.217
  634   2HG   ARG  79          1HG       ARG  79   1.837  16.699   1.457
  635   1HD   ARG  79          2HD       ARG  79   0.879  16.758  -1.157
  636   2HD   ARG  79          1HD       ARG  79  -0.390  15.959  -0.231
  637    HE   ARG  79           HE       ARG  79   0.424  18.230   1.179
  638   1HH1  ARG  79          1HH1      ARG  79  -1.198  17.408  -1.800
  639   2HH1  ARG  79          2HH1      ARG  79  -2.134  18.865  -1.839
  640   1HH2  ARG  79          1HH2      ARG  79  -0.805  20.148   1.128
  641   2HH2  ARG  79          2HH2      ARG  79  -1.910  20.421  -0.178
  642    H    LYS  80           H        LYS  80   5.046  16.308  -2.552
  643    HA   LYS  80           HA       LYS  80   7.114  15.589  -3.102
  644   1HB   LYS  80          2HB       LYS  80   7.686  16.424  -0.258
  645   2HB   LYS  80          1HB       LYS  80   8.928  15.823  -1.348
  646   1HG   LYS  80          2HG       LYS  80   7.345  18.361  -1.527
  647   2HG   LYS  80          1HG       LYS  80   9.096  18.144  -1.490
  648   1HD   LYS  80          2HD       LYS  80   8.907  17.000  -3.719
  649   2HD   LYS  80          1HD       LYS  80   7.209  17.486  -3.755
  650   1HE   LYS  80          2HE       LYS  80   8.370  19.126  -4.988
  651   2HE   LYS  80          1HE       LYS  80   8.030  19.861  -3.422
  652   1HZ   LYS  80          1HZ       LYS  80  10.374  18.954  -2.845
  653   2HZ   LYS  80          2HZ       LYS  80  10.227  20.388  -3.729
  654   3HZ   LYS  80          3HZ       LYS  80  10.595  18.941  -4.523
  655    H    GLY  81           H        GLY  81   8.269  13.688  -3.140
  656   1HA   GLY  81          2HA       GLY  81   8.878  11.529  -2.420
  657   2HA   GLY  81          1HA       GLY  81   7.777  11.700  -1.059
  658    H    PHE  82           H        PHE  82   5.733  12.706  -3.158
  659    HA   PHE  82           HA       PHE  82   4.259  10.347  -3.422
  660   1HB   PHE  82          2HB       PHE  82   3.139  12.455  -3.538
  661   2HB   PHE  82          1HB       PHE  82   4.139  12.990  -4.883
  662    HD1  PHE  82           1HD      PHE  82   1.142  11.293  -3.900
  663    HD2  PHE  82           2HD      PHE  82   3.878  11.855  -7.108
  664    HE1  PHE  82           1HE      PHE  82  -0.538  10.444  -5.479
  665    HE2  PHE  82           2HE      PHE  82   2.200  11.010  -8.694
  666    HZ   PHE  82           HZ       PHE  82  -0.010  10.298  -7.877
  667    H    SER  83           H        SER  83   6.157  12.127  -5.854
  668    HA   SER  83           HA       SER  83   5.761  10.472  -8.027
  669   1HB   SER  83          2HB       SER  83   8.350  11.260  -8.404
  670   2HB   SER  83          1HB       SER  83   6.937  12.250  -8.771
  671    HG   SER  83           HG       SER  83   8.514  12.289  -6.415
  672    H    GLU  84           H        GLU  84   8.282  10.211  -5.528
  673    HA   GLU  84           HA       GLU  84   9.765   8.122  -6.512
  674   1HB   GLU  84          2HB       GLU  84   9.495   9.428  -4.041
  675   2HB   GLU  84          1HB       GLU  84   9.280   7.719  -3.689
  676   1HG   GLU  84          2HG       GLU  84  11.406   7.192  -4.664
  677   2HG   GLU  84          1HG       GLU  84  11.609   8.854  -5.216
  678    H    GLY  85           H        GLY  85   6.562   8.052  -5.121
  679   1HA   GLY  85          2HA       GLY  85   6.445   5.213  -4.803
  680   2HA   GLY  85          1HA       GLY  85   5.081   6.323  -4.755
  681    H    LEU  86           H        LEU  86   5.709   7.455  -7.389
  682    HA   LEU  86           HA       LEU  86   4.125   5.771  -8.983
  683   1HB   LEU  86          2HB       LEU  86   5.950   8.069  -9.648
  684   2HB   LEU  86          1HB       LEU  86   5.049   7.217 -10.887
  685    HG   LEU  86           HG       LEU  86   3.824   8.670  -8.540
  686   1HD1  LEU  86          1HD1      LEU  86   4.940   9.759 -10.824
  687   2HD1  LEU  86          2HD1      LEU  86   3.765  10.529  -9.759
  688   3HD1  LEU  86          3HD1      LEU  86   3.219   9.664 -11.195
  689   1HD2  LEU  86          1HD2      LEU  86   2.767   6.627 -10.128
  690   2HD2  LEU  86          2HD2      LEU  86   2.077   8.119 -10.765
  691   3HD2  LEU  86          3HD2      LEU  86   1.885   7.716  -9.058
  692    H    TRP  87           H        TRP  87   7.627   6.251  -8.844
  693    HA   TRP  87           HA       TRP  87   8.301   4.548 -10.989
  694   1HB   TRP  87          2HB       TRP  87   9.897   6.156 -10.124
  695   2HB   TRP  87          1HB       TRP  87   9.888   5.379  -8.545
  696    HD1  TRP  87           HD       TRP  87  11.454   5.145 -11.976
  697    HE1  TRP  87           1HE      TRP  87  13.234   3.289 -11.977
  698    HE3  TRP  87           3HE      TRP  87  10.445   3.055  -7.422
  699    HZ2  TRP  87           2HZ      TRP  87  14.093   1.205 -10.272
  700    HZ3  TRP  87           3HZ      TRP  87  11.791   1.134  -6.681
  701    HH2  TRP  87           HH       TRP  87  13.576   0.229  -8.078
  702    H    GLU  88           H        GLU  88   8.063   3.942  -7.482
  703    HA   GLU  88           HA       GLU  88   8.956   1.281  -7.549
  704   1HB   GLU  88          2HB       GLU  88   7.190   2.765  -5.608
  705   2HB   GLU  88          1HB       GLU  88   7.707   1.104  -5.348
  706   1HG   GLU  88          2HG       GLU  88  10.071   1.907  -5.529
  707   2HG   GLU  88          1HG       GLU  88   9.438   3.553  -5.531
  708    H    ILE  89           H        ILE  89   5.612   2.554  -7.514
  709    HA   ILE  89           HA       ILE  89   4.249   0.164  -7.516
  710    HB   ILE  89           HB       ILE  89   3.198   2.381  -7.314
  711   1HG1  ILE  89          2HG1      ILE  89   1.498   1.559  -9.435
  712   2HG1  ILE  89          1HG1      ILE  89   2.194   0.106  -8.721
  713   1HG2  ILE  89          1HG2      ILE  89   2.535   3.363  -9.662
  714   2HG2  ILE  89          2HG2      ILE  89   4.047   2.601 -10.150
  715   3HG2  ILE  89          3HG2      ILE  89   4.043   3.809  -8.867
  716   1HD1  ILE  89          1HD1      ILE  89   1.483   1.686  -6.558
  717   2HD1  ILE  89          2HD1      ILE  89   0.641   0.254  -7.155
  718   3HD1  ILE  89          3HD1      ILE  89   0.153   1.857  -7.704
  719    H    GLU  90           H        GLU  90   6.021   1.641 -10.113
  720    HA   GLU  90           HA       GLU  90   4.933  -0.263 -12.051
  721   1HB   GLU  90          2HB       GLU  90   6.612   2.218 -12.352
  722   2HB   GLU  90          1HB       GLU  90   6.301   1.117 -13.688
  723   1HG   GLU  90          2HG       GLU  90   3.880   1.482 -13.379
  724   2HG   GLU  90          1HG       GLU  90   4.248   2.657 -12.117
  725    H    ASN  91           H        ASN  91   8.072   0.770 -10.734
  726    HA   ASN  91           HA       ASN  91   9.495  -1.246 -12.212
  727   1HB   ASN  91          2HB       ASN  91  10.229   0.929 -10.322
  728   2HB   ASN  91          1HB       ASN  91  11.354  -0.415 -10.490
  729   1HD2  ASN  91          1HD2      ASN  91   9.297   1.474 -12.687
  730   2HD2  ASN  91          2HD2      ASN  91  10.548   1.821 -13.828
  731    H    ASN  92           H        ASN  92   8.226  -0.927  -8.955
  732    HA   ASN  92           HA       ASN  92   8.676  -3.745  -8.517
  733   1HB   ASN  92          2HB       ASN  92  10.630  -1.990  -7.624
  734   2HB   ASN  92          1HB       ASN  92   9.646  -2.276  -6.192
  735   1HD2  ASN  92          1HD2      ASN  92   8.941  -4.780  -6.217
  736   2HD2  ASN  92          2HD2      ASN  92  10.296  -5.850  -6.293
  737    HA   PRO  93           HA       PRO  93   4.806  -2.231  -6.579
  738   1HB   PRO  93          2HB       PRO  93   3.230  -4.238  -7.412
  739   2HB   PRO  93          1HB       PRO  93   3.664  -2.892  -8.473
  740   1HG   PRO  93          2HG       PRO  93   4.814  -5.651  -8.346
  741   2HG   PRO  93          1HG       PRO  93   4.397  -4.678  -9.767
  742   1HD   PRO  93          2HD       PRO  93   6.942  -4.930  -8.788
  743   2HD   PRO  93          1HD       PRO  93   6.373  -3.521  -9.704
  744    H    THR  94           H        THR  94   6.704  -5.076  -6.244
  745    HA   THR  94           HA       THR  94   5.150  -5.938  -3.907
  746    HB   THR  94           HB       THR  94   6.472  -8.027  -4.051
  747    HG1  THR  94           1HG      THR  94   7.748  -8.320  -5.938
  748   1HG2  THR  94          1HG2      THR  94   4.355  -7.418  -5.569
  749   2HG2  THR  94          2HG2      THR  94   5.175  -8.979  -5.619
  750   3HG2  THR  94          3HG2      THR  94   5.543  -7.750  -6.830
  751    H    VAL  95           H        VAL  95   7.361  -3.732  -4.294
  752    HA   VAL  95           HA       VAL  95   9.578  -4.468  -2.747
  753    HB   VAL  95           HB       VAL  95   9.526  -2.453  -4.157
  754   1HG1  VAL  95          1HG1      VAL  95   7.945  -0.901  -4.004
  755   2HG1  VAL  95          2HG1      VAL  95   8.272  -0.658  -2.289
  756   3HG1  VAL  95          3HG1      VAL  95   7.143  -1.911  -2.802
  757   1HG2  VAL  95          1HG2      VAL  95  10.051  -1.734  -1.278
  758   2HG2  VAL  95          2HG2      VAL  95  10.803  -1.035  -2.712
  759   3HG2  VAL  95          3HG2      VAL  95  11.136  -2.709  -2.267
  760    H    LYS  96           H        LYS  96  10.095  -4.147  -0.584
  761    HA   LYS  96           HA       LYS  96   7.972  -3.305   1.234
  762   1HB   LYS  96          2HB       LYS  96   8.290  -5.276   2.666
  763   2HB   LYS  96          1HB       LYS  96   7.697  -5.718   1.072
  764   1HG   LYS  96          2HG       LYS  96  10.451  -5.848   0.820
  765   2HG   LYS  96          1HG       LYS  96  10.129  -6.501   2.428
  766   1HD   LYS  96          2HD       LYS  96   8.890  -8.264   1.610
  767   2HD   LYS  96          1HD       LYS  96   8.459  -7.409   0.127
  768   1HE   LYS  96          2HE       LYS  96  10.831  -7.605  -0.598
  769   2HE   LYS  96          1HE       LYS  96  11.141  -8.595   0.828
  770   1HZ   LYS  96          1HZ       LYS  96   9.823  -9.287  -1.647
  771   2HZ   LYS  96          2HZ       LYS  96   9.022  -9.832  -0.261
  772   3HZ   LYS  96          3HZ       LYS  96  10.630 -10.276  -0.536
  773    H    ALA  97           H        ALA  97   8.942  -3.519   3.611
  774    HA   ALA  97           HA       ALA  97  11.350  -1.899   3.568
  775   1HB   ALA  97          1HB       ALA  97  10.689  -1.082   5.567
  776   2HB   ALA  97          2HB       ALA  97  10.156  -2.656   6.157
  777   3HB   ALA  97          3HB       ALA  97   9.125  -1.727   5.069
  778    H    SER  98           H        SER  98  12.633  -2.445   5.859
  779    HA   SER  98           HA       SER  98  13.190  -5.280   6.060
  780   1HB   SER  98          2HB       SER  98  15.641  -4.933   5.616
  781   2HB   SER  98          1HB       SER  98  14.615  -4.754   4.193
  782    HG   SER  98           HG       SER  98  15.416  -2.555   5.782
  783    H    GLY  99           H        GLY  99  14.892  -5.710   7.741
  784   1HA   GLY  99          2HA       GLY  99  16.066  -4.070   9.503
  785   2HA   GLY  99          1HA       GLY  99  14.387  -3.965  10.009
  786    H    TYR 100           H        TYR 100  17.229  -5.491  10.597
  787    HA   TYR 100           HA       TYR 100  15.849  -7.782  11.825
  788   1HB   TYR 100          2HB       TYR 100  17.994  -7.800   9.875
  789   2HB   TYR 100          1HB       TYR 100  18.481  -8.616  11.355
  790    HD1  TYR 100           1HD      TYR 100  17.809 -10.809  11.762
  791    HD2  TYR 100           2HD      TYR 100  15.783  -8.530   8.798
  792    HE1  TYR 100           1HE      TYR 100  16.588 -12.820  11.060
  793    HE2  TYR 100           2HE      TYR 100  14.555 -10.534   8.088
  794    HH   TYR 100           HH       TYR 100  15.154 -13.231   8.292
  795    H    GLN 101           H        GLN 101  16.395  -5.299  13.063
  796    HA   GLN 101           HA       GLN 101  17.227  -4.448  15.000
  797   1HB   GLN 101          2HB       GLN 101  17.889  -7.355  15.486
  798   2HB   GLN 101          1HB       GLN 101  18.059  -6.093  16.698
  799   1HG   GLN 101          2HG       GLN 101  15.982  -6.600  17.297
  800   2HG   GLN 101          1HG       GLN 101  15.479  -5.754  15.834
  801   1HE2  GLN 101          1HE2      GLN 101  14.425  -8.129  17.360
  802   2HE2  GLN 101          2HE2      GLN 101  14.216  -9.351  16.157
  803    H    SER 102           H        SER 102  18.851  -3.140  14.320
  804    HA   SER 102           HA       SER 102  20.962  -2.353  14.041
  805   1HB   SER 102          2HB       SER 102  21.626  -4.872  15.576
  806   2HB   SER 102          1HB       SER 102  22.827  -3.657  15.140
  807    HG   SER 102           HG       SER 102  21.877  -3.415  17.271
  808    H    SER 103           H        SER 103  21.801  -5.793  13.819
  809    HA   SER 103           HA       SER 103  22.705  -7.034  12.142
  810   1HB   SER 103          2HB       SER 103  20.664  -5.383  10.865
  811   2HB   SER 103          1HB       SER 103  21.948  -5.850   9.750
  812    HG   SER 103           HG       SER 103  21.591  -8.044  10.555
  813    H    GLN 104           H        GLN 104  24.783  -6.187  12.846
  814    HA   GLN 104           HA       GLN 104  26.334  -5.246  10.681
  815   1HB   GLN 104          2HB       GLN 104  27.066  -3.091  11.647
  816   2HB   GLN 104          1HB       GLN 104  25.365  -3.087  11.204
  817   1HG   GLN 104          2HG       GLN 104  24.805  -2.491  13.255
  818   2HG   GLN 104          1HG       GLN 104  25.586  -3.929  13.911
  819   1HE2  GLN 104          1HE2      GLN 104  25.399  -0.990  14.700
  820   2HE2  GLN 104          2HE2      GLN 104  27.033  -0.558  15.054
  821    H    LYS 105           H        LYS 105  28.042  -6.509  10.977
  822    HA   LYS 105           HA       LYS 105  29.833  -7.541  11.925
  823   1HB   LYS 105          2HB       LYS 105  29.595  -5.460  14.101
  824   2HB   LYS 105          1HB       LYS 105  31.025  -6.396  13.684
  825   1HG   LYS 105          2HG       LYS 105  31.099  -5.283  11.498
  826   2HG   LYS 105          1HG       LYS 105  29.695  -4.319  11.958
  827   1HD   LYS 105          2HD       LYS 105  30.909  -2.954  13.279
  828   2HD   LYS 105          1HD       LYS 105  31.915  -4.273  13.884
  829   1HE   LYS 105          2HE       LYS 105  32.219  -3.271  11.077
  830   2HE   LYS 105          1HE       LYS 105  32.997  -2.436  12.421
  831   1HZ   LYS 105          1HZ       LYS 105  33.385  -5.283  11.666
  832   2HZ   LYS 105          2HZ       LYS 105  34.091  -4.531  13.008
  833   3HZ   LYS 105          3HZ       LYS 105  34.499  -4.028  11.446
  834    H    LYS 106           H        LYS 106  29.166  -9.519  12.538
  835    HA   LYS 106           HA       LYS 106  28.771 -10.046  15.312
  836   1HB   LYS 106          2HB       LYS 106  26.490  -9.249  14.528
  837   2HB   LYS 106          1HB       LYS 106  26.422 -10.699  13.536
  838   1HG   LYS 106          2HG       LYS 106  25.963 -12.026  15.279
  839   2HG   LYS 106          1HG       LYS 106  27.086 -11.184  16.348
  840   1HD   LYS 106          2HD       LYS 106  24.964  -9.399  15.796
  841   2HD   LYS 106          1HD       LYS 106  24.240 -10.958  16.187
  842   1HE   LYS 106          2HE       LYS 106  24.692 -10.688  18.347
  843   2HE   LYS 106          1HE       LYS 106  26.395 -10.390  18.000
  844   1HZ   LYS 106          1HZ       LYS 106  26.110  -8.156  18.050
  845   2HZ   LYS 106          2HZ       LYS 106  24.852  -8.576  19.099
  846   3HZ   LYS 106          3HZ       LYS 106  24.518  -8.214  17.481
  847    H    SER 107           H        SER 107  29.751 -11.917  15.675
  848    HA   SER 107           HA       SER 107  30.610 -14.004  15.401
  849   1HB   SER 107          2HB       SER 107  28.116 -14.066  13.803
  850   2HB   SER 107          1HB       SER 107  29.292 -15.330  13.444
  851    HG   SER 107           HG       SER 107  27.920 -14.799  15.840
  852    H    CYS 108           H        CYS 108  32.506 -14.440  14.502
  853    HA   CYS 108           HA       CYS 108  33.336 -13.143  12.092
  854   1HB   CYS 108          2HB       CYS 108  34.629 -15.044  14.021
  855   2HB   CYS 108          1HB       CYS 108  35.406 -14.676  12.484
  856    HG   CYS 108           HG       CYS 108  36.266 -12.642  13.512
  857    H    ALA 109           H        ALA 109  34.240 -14.254  10.224
  858    HA   ALA 109           HA       ALA 109  32.866 -16.805   9.671
  859   1HB   ALA 109          1HB       ALA 109  31.762 -15.575   8.145
  860   2HB   ALA 109          2HB       ALA 109  33.236 -15.767   7.196
  861   3HB   ALA 109          3HB       ALA 109  32.980 -14.298   8.139
  862    H    GLU 110           H        GLU 110  33.917 -18.064   7.877
  863    HA   GLU 110           HA       GLU 110  36.823 -18.031   8.279
  864   1HB   GLU 110          2HB       GLU 110  34.853 -20.174   7.557
  865   2HB   GLU 110          1HB       GLU 110  36.553 -20.372   7.150
  866   1HG   GLU 110          2HG       GLU 110  35.448 -19.909   9.911
  867   2HG   GLU 110          1HG       GLU 110  35.995 -21.453   9.260
  Start of MODEL   21
    1   1H    MET   1          1HT       MET   1 -23.182   8.314  -9.505
    2   2H    MET   1          2HT       MET   1 -21.888   8.130 -10.616
    3   3H    MET   1          3HT       MET   1 -21.572   8.621  -9.003
    4    HA   MET   1           HA       MET   1 -20.985   6.418  -9.080
    5   1HB   MET   1          2HB       MET   1 -22.641   5.387  -7.584
    6   2HB   MET   1          1HB       MET   1 -22.324   7.059  -7.142
    7   1HG   MET   1          2HG       MET   1 -24.465   7.567  -7.323
    8   2HG   MET   1          1HG       MET   1 -24.518   6.955  -8.974
    9   1HE   MET   1          1HE       MET   1 -26.494   6.565  -5.775
   10   2HE   MET   1          2HE       MET   1 -27.548   5.518  -6.727
   11   3HE   MET   1          3HE       MET   1 -26.946   7.026  -7.417
   12    H    SER   2           H        SER   2 -20.846   5.715 -11.258
   13    HA   SER   2           HA       SER   2 -23.244   4.445 -12.367
   14   1HB   SER   2          2HB       SER   2 -21.929   6.019 -13.801
   15   2HB   SER   2          1HB       SER   2 -20.569   4.901 -13.710
   16    HG   SER   2           HG       SER   2 -21.475   3.940 -15.334
   17    H    ARG   3           H        ARG   3 -20.013   3.759 -11.210
   18    HA   ARG   3           HA       ARG   3 -20.264   0.943 -11.917
   19   1HB   ARG   3          2HB       ARG   3 -17.951   0.746 -11.060
   20   2HB   ARG   3          1HB       ARG   3 -18.105   1.947 -12.334
   21   1HG   ARG   3          2HG       ARG   3 -18.260   3.679 -10.487
   22   2HG   ARG   3          1HG       ARG   3 -17.739   2.400  -9.390
   23   1HD   ARG   3          2HD       ARG   3 -16.058   2.479 -11.725
   24   2HD   ARG   3          1HD       ARG   3 -16.126   4.064 -10.959
   25    HE   ARG   3           HE       ARG   3 -15.233   1.575  -9.661
   26   1HH1  ARG   3          1HH1      ARG   3 -15.321   5.072  -9.795
   27   2HH1  ARG   3          2HH1      ARG   3 -14.152   5.266  -8.536
   28   1HH2  ARG   3          1HH2      ARG   3 -13.701   1.845  -8.007
   29   2HH2  ARG   3          2HH2      ARG   3 -13.234   3.441  -7.521
   30    H    SER   4           H        SER   4 -21.835   0.157 -10.556
   31    HA   SER   4           HA       SER   4 -21.111   0.088  -7.703
   32   1HB   SER   4          2HB       SER   4 -23.793  -0.209  -7.571
   33   2HB   SER   4          1HB       SER   4 -22.988   1.354  -7.443
   34    HG   SER   4           HG       SER   4 -24.796   1.061  -9.038
   35    H    ASN   5           H        ASN   5 -21.788  -1.807  -6.553
   36    HA   ASN   5           HA       ASN   5 -22.103  -4.040  -6.259
   37   1HB   ASN   5          2HB       ASN   5 -24.206  -3.637  -7.546
   38   2HB   ASN   5          1HB       ASN   5 -23.333  -4.034  -9.023
   39   1HD2  ASN   5          1HD2      ASN   5 -24.392  -5.853  -9.580
   40   2HD2  ASN   5          2HD2      ASN   5 -24.411  -7.296  -8.633
   41    H    ARG   6           H        ARG   6 -21.513  -3.867  -9.773
   42    HA   ARG   6           HA       ARG   6 -19.536  -5.954  -9.587
   43   1HB   ARG   6          2HB       ARG   6 -21.100  -4.703 -11.671
   44   2HB   ARG   6          1HB       ARG   6 -19.412  -4.815 -12.151
   45   1HG   ARG   6          2HG       ARG   6 -20.916  -7.169 -11.055
   46   2HG   ARG   6          1HG       ARG   6 -20.931  -6.751 -12.770
   47   1HD   ARG   6          2HD       ARG   6 -18.238  -6.725 -11.774
   48   2HD   ARG   6          1HD       ARG   6 -19.010  -8.259 -11.377
   49    HE   ARG   6           HE       ARG   6 -18.277  -7.307 -13.991
   50   1HH1  ARG   6          1HH1      ARG   6 -20.350  -9.474 -12.205
   51   2HH1  ARG   6          2HH1      ARG   6 -20.581 -10.554 -13.539
   52   1HH2  ARG   6          1HH2      ARG   6 -18.581  -8.726 -15.746
   53   2HH2  ARG   6          2HH2      ARG   6 -19.576 -10.129 -15.550
   54    H    GLN   7           H        GLN   7 -17.467  -5.646  -9.147
   55    HA   GLN   7           HA       GLN   7 -16.150  -3.196 -10.064
   56   1HB   GLN   7          2HB       GLN   7 -16.889  -3.541  -7.420
   57   2HB   GLN   7          1HB       GLN   7 -15.206  -4.053  -7.433
   58   1HG   GLN   7          2HG       GLN   7 -14.531  -1.933  -8.371
   59   2HG   GLN   7          1HG       GLN   7 -16.214  -1.419  -8.487
   60   1HE2  GLN   7          1HE2      GLN   7 -13.897  -0.296  -7.025
   61   2HE2  GLN   7          2HE2      GLN   7 -14.415  -0.169  -5.382
   62    H    LYS   8           H        LYS   8 -13.658  -3.656  -8.929
   63    HA   LYS   8           HA       LYS   8 -12.786  -5.939 -10.511
   64   1HB   LYS   8          2HB       LYS   8 -11.751  -3.583 -10.619
   65   2HB   LYS   8          1HB       LYS   8 -10.983  -4.006  -9.095
   66   1HG   LYS   8          2HG       LYS   8 -10.270  -6.147 -10.493
   67   2HG   LYS   8          1HG       LYS   8 -10.457  -5.009 -11.829
   68   1HD   LYS   8          2HD       LYS   8  -8.828  -4.397  -9.373
   69   2HD   LYS   8          1HD       LYS   8  -8.146  -5.161 -10.810
   70   1HE   LYS   8          2HE       LYS   8  -9.563  -2.499 -10.777
   71   2HE   LYS   8          1HE       LYS   8  -7.812  -2.709 -10.756
   72   1HZ   LYS   8          1HZ       LYS   8  -8.029  -3.906 -12.892
   73   2HZ   LYS   8          2HZ       LYS   8  -8.514  -2.289 -12.984
   74   3HZ   LYS   8          3HZ       LYS   8  -9.676  -3.516 -12.920
   75    H    GLU   9           H        GLU   9 -13.808  -5.611  -7.512
   76    HA   GLU   9           HA       GLU   9 -13.735  -7.060  -5.754
   77   1HB   GLU   9          2HB       GLU   9 -11.240  -8.313  -6.894
   78   2HB   GLU   9          1HB       GLU   9 -12.363  -9.006  -5.732
   79   1HG   GLU   9          2HG       GLU   9 -13.711  -8.304  -8.180
   80   2HG   GLU   9          1HG       GLU   9 -12.343  -9.373  -8.487
   81    H    TYR  10           H        TYR  10 -10.671  -7.873  -5.094
   82    HA   TYR  10           HA       TYR  10  -9.094  -5.770  -4.527
   83   1HB   TYR  10          2HB       TYR  10 -11.515  -5.631  -2.879
   84   2HB   TYR  10          1HB       TYR  10 -10.035  -5.620  -1.928
   85    HD1  TYR  10           1HD      TYR  10  -9.893  -4.189  -5.274
   86    HD2  TYR  10           2HD      TYR  10 -10.638  -3.347  -1.170
   87    HE1  TYR  10           1HE      TYR  10  -9.617  -1.791  -5.724
   88    HE2  TYR  10           2HE      TYR  10 -10.366  -0.945  -1.609
   89    HH   TYR  10           HH       TYR  10 -10.611   0.462  -4.368
   90    H    LYS  11           H        LYS  11  -7.511  -7.301  -4.507
   91    HA   LYS  11           HA       LYS  11  -7.413  -9.012  -2.127
   92   1HB   LYS  11          2HB       LYS  11  -6.816  -9.842  -4.966
   93   2HB   LYS  11          1HB       LYS  11  -6.351 -10.789  -3.559
   94   1HG   LYS  11          2HG       LYS  11  -9.185 -10.016  -3.672
   95   2HG   LYS  11          1HG       LYS  11  -8.646 -11.130  -4.929
   96   1HD   LYS  11          2HD       LYS  11  -8.351 -12.827  -3.475
   97   2HD   LYS  11          1HD       LYS  11  -7.711 -11.770  -2.216
   98   1HE   LYS  11          2HE       LYS  11 -10.073 -10.955  -1.869
   99   2HE   LYS  11          1HE       LYS  11 -10.595 -12.267  -2.926
  100   1HZ   LYS  11          1HZ       LYS  11  -8.996 -13.523  -1.142
  101   2HZ   LYS  11          2HZ       LYS  11 -10.684 -13.455  -1.056
  102   3HZ   LYS  11          3HZ       LYS  11  -9.748 -12.352  -0.179
  103    H    CYS  12           H        CYS  12  -5.239  -9.756  -1.578
  104    HA   CYS  12           HA       CYS  12  -3.393  -7.716  -1.359
  105   1HB   CYS  12          2HB       CYS  12  -3.515  -9.951  -0.099
  106   2HB   CYS  12          1HB       CYS  12  -2.574 -10.615  -1.430
  107    HG   CYS  12           HG       CYS  12  -1.321  -9.414   0.846
  108    H    GLY  13           H        GLY  13  -1.715  -6.952  -2.570
  109   1HA   GLY  13          2HA       GLY  13  -0.016  -7.082  -4.207
  110   2HA   GLY  13          1HA       GLY  13  -0.830  -8.472  -4.905
  111    H    ASP  14           H        ASP  14  -3.347  -6.567  -4.523
  112    HA   ASP  14           HA       ASP  14  -3.393  -5.747  -7.257
  113   1HB   ASP  14          2HB       ASP  14  -5.349  -6.427  -5.610
  114   2HB   ASP  14          1HB       ASP  14  -5.370  -4.699  -5.277
  115    H    LEU  15           H        LEU  15  -3.288  -3.705  -8.134
  116    HA   LEU  15           HA       LEU  15  -1.949  -1.710  -6.489
  117   1HB   LEU  15          2HB       LEU  15  -2.540  -1.698  -9.450
  118   2HB   LEU  15          1HB       LEU  15  -1.532  -0.541  -8.601
  119    HG   LEU  15           HG       LEU  15  -0.947  -3.477  -8.992
  120   1HD1  LEU  15          1HD1      LEU  15   0.039  -0.955 -10.254
  121   2HD1  LEU  15          2HD1      LEU  15  -0.430  -2.479 -11.008
  122   3HD1  LEU  15          3HD1      LEU  15   1.099  -2.361 -10.137
  123   1HD2  LEU  15          1HD2      LEU  15   1.067  -3.167  -7.790
  124   2HD2  LEU  15          2HD2      LEU  15  -0.218  -2.506  -6.780
  125   3HD2  LEU  15          3HD2      LEU  15   0.828  -1.423  -7.698
  126    H    VAL  16           H        VAL  16  -3.056  -0.187  -5.497
  127    HA   VAL  16           HA       VAL  16  -5.435   0.931  -6.792
  128    HB   VAL  16           HB       VAL  16  -6.648   0.946  -4.639
  129   1HG1  VAL  16          1HG1      VAL  16  -7.620  -1.011  -5.140
  130   2HG1  VAL  16          2HG1      VAL  16  -6.123  -1.920  -4.933
  131   3HG1  VAL  16          3HG1      VAL  16  -6.442  -1.081  -6.452
  132   1HG2  VAL  16          1HG2      VAL  16  -5.595   0.511  -2.735
  133   2HG2  VAL  16          2HG2      VAL  16  -4.120   0.130  -3.624
  134   3HG2  VAL  16          3HG2      VAL  16  -5.293  -1.141  -3.275
  135    H    PHE  17           H        PHE  17  -6.201   2.914  -5.656
  136    HA   PHE  17           HA       PHE  17  -3.904   4.505  -4.716
  137   1HB   PHE  17          2HB       PHE  17  -6.245   5.126  -6.458
  138   2HB   PHE  17          1HB       PHE  17  -5.644   6.408  -5.411
  139    HD1  PHE  17           1HD      PHE  17  -2.907   6.414  -5.430
  140    HD2  PHE  17           2HD      PHE  17  -5.477   5.229  -8.599
  141    HE1  PHE  17           1HE      PHE  17  -1.125   6.897  -7.045
  142    HE2  PHE  17           2HE      PHE  17  -3.704   5.712 -10.226
  143    HZ   PHE  17           HZ       PHE  17  -1.517   6.550  -9.454
  144    H    ALA  18           H        ALA  18  -4.021   5.423  -2.711
  145    HA   ALA  18           HA       ALA  18  -6.546   5.082  -1.245
  146   1HB   ALA  18          1HB       ALA  18  -5.185   3.886   0.090
  147   2HB   ALA  18          2HB       ALA  18  -4.716   5.469   0.711
  148   3HB   ALA  18          3HB       ALA  18  -3.727   4.674  -0.515
  149    H    LYS  19           H        LYS  19  -7.619   6.840  -0.673
  150    HA   LYS  19           HA       LYS  19  -6.360   9.443  -0.969
  151   1HB   LYS  19          2HB       LYS  19  -8.571   9.075  -1.975
  152   2HB   LYS  19          1HB       LYS  19  -9.234   8.710  -0.388
  153   1HG   LYS  19          2HG       LYS  19  -9.838  10.870  -0.441
  154   2HG   LYS  19          1HG       LYS  19  -8.178  11.135   0.096
  155   1HD   LYS  19          2HD       LYS  19  -7.891  11.000  -2.621
  156   2HD   LYS  19          1HD       LYS  19  -9.463  11.786  -2.455
  157   1HE   LYS  19          2HE       LYS  19  -7.358  12.802  -0.670
  158   2HE   LYS  19          1HE       LYS  19  -7.080  13.081  -2.390
  159   1HZ   LYS  19          1HZ       LYS  19  -8.523  14.699  -0.857
  160   2HZ   LYS  19          2HZ       LYS  19  -9.751  13.683  -1.420
  161   3HZ   LYS  19          3HZ       LYS  19  -8.782  14.526  -2.520
  162    H    MET  20           H        MET  20  -5.826  10.765   0.652
  163    HA   MET  20           HA       MET  20  -6.685  10.058   3.376
  164   1HB   MET  20          2HB       MET  20  -3.996  10.092   2.296
  165   2HB   MET  20          1HB       MET  20  -4.150  11.227   3.630
  166   1HG   MET  20          2HG       MET  20  -5.355   9.138   4.747
  167   2HG   MET  20          1HG       MET  20  -4.316   8.274   3.615
  168   1HE   MET  20          1HE       MET  20  -2.018   7.361   4.625
  169   2HE   MET  20          2HE       MET  20  -0.835   8.643   4.878
  170   3HE   MET  20          3HE       MET  20  -1.815   8.625   3.413
  171    H    LYS  21           H        LYS  21  -6.968  11.781   4.807
  172    HA   LYS  21           HA       LYS  21  -7.800  14.223   3.638
  173   1HB   LYS  21          2HB       LYS  21  -8.400  12.978   5.939
  174   2HB   LYS  21          1HB       LYS  21  -7.221  14.130   6.550
  175   1HG   LYS  21          2HG       LYS  21  -8.806  15.710   4.980
  176   2HG   LYS  21          1HG       LYS  21  -9.961  14.548   5.636
  177   1HD   LYS  21          2HD       LYS  21  -8.370  15.241   7.808
  178   2HD   LYS  21          1HD       LYS  21  -8.609  16.758   6.939
  179   1HE   LYS  21          2HE       LYS  21 -10.877  14.905   7.621
  180   2HE   LYS  21          1HE       LYS  21 -10.327  16.174   8.715
  181   1HZ   LYS  21          1HZ       LYS  21 -12.222  16.801   7.250
  182   2HZ   LYS  21          2HZ       LYS  21 -11.183  16.683   5.921
  183   3HZ   LYS  21          3HZ       LYS  21 -10.883  17.828   7.129
  184    H    GLY  22           H        GLY  22  -6.458  15.721   2.860
  185   1HA   GLY  22          2HA       GLY  22  -4.956  17.535   3.437
  186   2HA   GLY  22          1HA       GLY  22  -4.085  16.412   4.468
  187    H    TYR  23           H        TYR  23  -4.716  14.591   1.867
  188    HA   TYR  23           HA       TYR  23  -2.632  15.646   0.128
  189   1HB   TYR  23          2HB       TYR  23  -2.316  12.781   0.914
  190   2HB   TYR  23          1HB       TYR  23  -1.106  13.927   0.353
  191    HD1  TYR  23           1HD      TYR  23  -2.465  12.264   3.177
  192    HD2  TYR  23           2HD      TYR  23  -0.470  15.831   1.997
  193    HE1  TYR  23           1HE      TYR  23  -1.743  12.621   5.500
  194    HE2  TYR  23           2HE      TYR  23   0.259  16.197   4.317
  195    HH   TYR  23           HH       TYR  23   0.291  13.920   6.617
  196    HA   PRO  24           HA       PRO  24  -5.088  13.646  -2.944
  197   1HB   PRO  24          2HB       PRO  24  -3.380  13.401  -4.976
  198   2HB   PRO  24          1HB       PRO  24  -3.832  14.997  -4.359
  199   1HG   PRO  24          2HG       PRO  24  -1.351  13.403  -3.853
  200   2HG   PRO  24          1HG       PRO  24  -1.523  15.140  -4.157
  201   1HD   PRO  24          2HD       PRO  24  -1.244  13.999  -1.653
  202   2HD   PRO  24          1HD       PRO  24  -1.957  15.593  -1.963
  203    H    HIS  25           H        HIS  25  -5.255  11.748  -4.410
  204    HA   HIS  25           HA       HIS  25  -4.983   9.329  -3.143
  205   1HB   HIS  25          2HB       HIS  25  -4.899   9.825  -6.129
  206   2HB   HIS  25          1HB       HIS  25  -5.271   8.288  -5.358
  207    HD1  HIS  25           1HD      HIS  25  -6.683  11.764  -5.781
  208    HD2  HIS  25           2HD      HIS  25  -7.889   7.972  -4.589
  209    HE1  HIS  25           1HE      HIS  25  -9.180  11.902  -5.528
  210    HE2  HIS  25           2HE      HIS  25  -9.875   9.625  -4.704
  211    H    TRP  26           H        TRP  26  -3.205   8.280  -2.465
  212    HA   TRP  26           HA       TRP  26  -0.651   8.757  -3.813
  213   1HB   TRP  26          2HB       TRP  26  -1.158   8.876  -1.219
  214   2HB   TRP  26          1HB       TRP  26  -0.880   7.142  -1.313
  215    HD1  TRP  26           HD       TRP  26   1.627   6.397  -2.246
  216    HE1  TRP  26           1HE      TRP  26   3.898   7.563  -1.881
  217    HE3  TRP  26           3HE      TRP  26  -0.036  11.056  -0.956
  218    HZ2  TRP  26           2HZ      TRP  26   4.844  10.122  -1.148
  219    HZ3  TRP  26           3HZ      TRP  26   1.602  12.798  -0.445
  220    HH2  TRP  26           HH       TRP  26   3.983  12.341  -0.538
  221    HA   PRO  27           HA       PRO  27  -0.846   4.841  -5.946
  222   1HB   PRO  27          2HB       PRO  27   2.113   4.942  -5.694
  223   2HB   PRO  27          1HB       PRO  27   1.114   4.753  -7.138
  224   1HG   PRO  27          2HG       PRO  27   2.370   7.058  -6.595
  225   2HG   PRO  27          1HG       PRO  27   0.774   7.025  -7.364
  226   1HD   PRO  27          2HD       PRO  27   1.516   7.683  -4.554
  227   2HD   PRO  27          1HD       PRO  27   0.221   8.351  -5.567
  228    H    ALA  28           H        ALA  28  -1.362   3.041  -4.868
  229    HA   ALA  28           HA       ALA  28   0.540   1.990  -2.911
  230   1HB   ALA  28          1HB       ALA  28  -0.732   2.333  -1.124
  231   2HB   ALA  28          2HB       ALA  28  -2.171   1.720  -1.940
  232   3HB   ALA  28          3HB       ALA  28  -1.697   3.408  -2.135
  233    H    ARG  29           H        ARG  29  -0.329  -0.171  -2.023
  234    HA   ARG  29           HA       ARG  29  -1.796  -1.708  -4.030
  235   1HB   ARG  29          2HB       ARG  29   0.629  -1.876  -4.580
  236   2HB   ARG  29          1HB       ARG  29   0.915  -2.543  -2.981
  237   1HG   ARG  29          2HG       ARG  29  -0.743  -4.366  -3.626
  238   2HG   ARG  29          1HG       ARG  29  -0.569  -3.771  -5.277
  239   1HD   ARG  29          2HD       ARG  29   2.036  -4.023  -4.289
  240   2HD   ARG  29          1HD       ARG  29   1.181  -5.463  -3.739
  241    HE   ARG  29           HE       ARG  29   0.849  -4.790  -6.538
  242   1HH1  ARG  29          1HH1      ARG  29   2.617  -6.656  -4.173
  243   2HH1  ARG  29          2HH1      ARG  29   3.153  -7.834  -5.322
  244   1HH2  ARG  29          1HH2      ARG  29   1.554  -6.339  -8.047
  245   2HH2  ARG  29          2HH2      ARG  29   2.551  -7.655  -7.521
  246    H    ILE  30           H        ILE  30  -2.571  -3.777  -3.204
  247    HA   ILE  30           HA       ILE  30  -3.286  -3.627  -0.414
  248    HB   ILE  30           HB       ILE  30  -3.798  -5.900  -2.338
  249   1HG1  ILE  30          2HG1      ILE  30  -4.649  -3.704  -3.177
  250   2HG1  ILE  30          1HG1      ILE  30  -5.920  -4.880  -2.860
  251   1HG2  ILE  30          1HG2      ILE  30  -5.716  -5.302  -0.198
  252   2HG2  ILE  30          2HG2      ILE  30  -4.138  -5.862   0.352
  253   3HG2  ILE  30          3HG2      ILE  30  -5.084  -6.848  -0.763
  254   1HD1  ILE  30          1HD1      ILE  30  -6.250  -2.439  -2.119
  255   2HD1  ILE  30          2HD1      ILE  30  -5.172  -2.862  -0.788
  256   3HD1  ILE  30          3HD1      ILE  30  -6.689  -3.735  -1.006
  257    H    ASP  31           H        ASP  31  -2.410  -4.779   1.256
  258    HA   ASP  31           HA       ASP  31  -0.336  -6.748   0.578
  259   1HB   ASP  31          2HB       ASP  31   0.086  -4.272   1.783
  260   2HB   ASP  31          1HB       ASP  31   0.150  -5.422   3.115
  261    H    GLU  32           H        GLU  32  -3.074  -5.972   2.551
  262    HA   GLU  32           HA       GLU  32  -3.249  -8.667   3.472
  263   1HB   GLU  32          2HB       GLU  32  -1.942  -6.709   5.158
  264   2HB   GLU  32          1HB       GLU  32  -3.375  -7.364   5.940
  265   1HG   GLU  32          2HG       GLU  32  -2.543  -9.603   5.713
  266   2HG   GLU  32          1HG       GLU  32  -1.171  -9.038   4.760
  267    H    MET  33           H        MET  33  -5.214  -9.099   4.644
  268    HA   MET  33           HA       MET  33  -7.153  -6.969   4.902
  269   1HB   MET  33          2HB       MET  33  -8.816  -8.287   3.480
  270   2HB   MET  33          1HB       MET  33  -7.574  -7.374   2.634
  271   1HG   MET  33          2HG       MET  33  -6.508  -9.933   3.089
  272   2HG   MET  33          1HG       MET  33  -8.161 -10.170   2.526
  273   1HE   MET  33          1HE       MET  33  -8.885  -8.808  -0.221
  274   2HE   MET  33          2HE       MET  33  -7.789  -7.446  -0.457
  275   3HE   MET  33          3HE       MET  33  -8.622  -7.651   1.084
  276    HA   PRO  34           HA       PRO  34  -8.697  -9.685   8.027
  277   1HB   PRO  34          2HB       PRO  34 -11.187  -8.760   8.376
  278   2HB   PRO  34          1HB       PRO  34  -9.777  -7.770   8.773
  279   1HG   PRO  34          2HG       PRO  34 -11.541  -7.673   6.361
  280   2HG   PRO  34          1HG       PRO  34 -10.848  -6.338   7.296
  281   1HD   PRO  34          2HD       PRO  34  -9.812  -7.281   4.920
  282   2HD   PRO  34          1HD       PRO  34  -8.874  -6.408   6.148
  283    H    GLU  35           H        GLU  35  -8.742 -11.737   7.083
  284    HA   GLU  35           HA       GLU  35 -11.391 -12.679   6.383
  285   1HB   GLU  35          2HB       GLU  35 -10.432 -13.830   4.342
  286   2HB   GLU  35          1HB       GLU  35 -10.687 -12.094   4.224
  287   1HG   GLU  35          2HG       GLU  35  -8.614 -12.184   3.337
  288   2HG   GLU  35          1HG       GLU  35  -8.157 -12.072   5.035
  289    H    ALA  36           H        ALA  36  -8.928 -13.152   8.324
  290    HA   ALA  36           HA       ALA  36  -9.483 -15.897   8.719
  291   1HB   ALA  36          1HB       ALA  36  -7.874 -15.685   6.639
  292   2HB   ALA  36          2HB       ALA  36  -7.684 -16.982   7.824
  293   3HB   ALA  36          3HB       ALA  36  -6.646 -15.558   7.902
  294    H    ALA  37           H        ALA  37  -7.282 -13.199   9.209
  295    HA   ALA  37           HA       ALA  37  -7.370 -13.667  12.052
  296   1HB   ALA  37          1HB       ALA  37  -4.610 -13.294  11.081
  297   2HB   ALA  37          2HB       ALA  37  -5.330 -14.882  10.807
  298   3HB   ALA  37          3HB       ALA  37  -5.215 -14.235  12.444
  299    H    VAL  38           H        VAL  38  -8.094 -11.726  12.643
  300    HA   VAL  38           HA       VAL  38  -6.405  -9.424  12.192
  301    HB   VAL  38           HB       VAL  38  -8.594  -8.107  11.541
  302   1HG1  VAL  38          1HG1      VAL  38  -7.942  -8.282   9.199
  303   2HG1  VAL  38          2HG1      VAL  38  -7.030  -9.749   9.552
  304   3HG1  VAL  38          3HG1      VAL  38  -6.521  -8.208  10.239
  305   1HG2  VAL  38          1HG2      VAL  38 -10.172  -9.280  10.254
  306   2HG2  VAL  38          2HG2      VAL  38  -9.930 -10.281  11.683
  307   3HG2  VAL  38          3HG2      VAL  38  -9.156 -10.719  10.162
  308    H    LYS  39           H        LYS  39  -9.445 -10.666  13.526
  309    HA   LYS  39           HA       LYS  39 -10.398 -10.412  15.577
  310   1HB   LYS  39          2HB       LYS  39  -8.000  -8.788  16.420
  311   2HB   LYS  39          1HB       LYS  39  -9.113  -9.683  17.443
  312   1HG   LYS  39          2HG       LYS  39  -7.788 -11.447  17.354
  313   2HG   LYS  39          1HG       LYS  39  -7.977 -11.512  15.602
  314   1HD   LYS  39          2HD       LYS  39  -5.891 -10.792  15.284
  315   2HD   LYS  39          1HD       LYS  39  -6.149  -9.409  16.348
  316   1HE   LYS  39          2HE       LYS  39  -5.943 -11.746  17.957
  317   2HE   LYS  39          1HE       LYS  39  -4.600 -11.743  16.816
  318   1HZ   LYS  39          1HZ       LYS  39  -4.505  -9.232  17.603
  319   2HZ   LYS  39          2HZ       LYS  39  -3.699 -10.467  18.434
  320   3HZ   LYS  39          3HZ       LYS  39  -5.189  -9.900  18.999
  321    H    SER  40           H        SER  40  -8.577  -7.365  15.284
  322    HA   SER  40           HA       SER  40 -11.013  -5.869  15.786
  323   1HB   SER  40          2HB       SER  40  -8.383  -5.461  16.489
  324   2HB   SER  40          1HB       SER  40  -8.588  -4.337  15.146
  325    HG   SER  40           HG       SER  40 -10.493  -3.576  16.283
  326    H    THR  41           H        THR  41 -10.343  -3.523  14.298
  327    HA   THR  41           HA       THR  41 -10.641  -2.574  12.244
  328    HB   THR  41           HB       THR  41  -9.791  -5.222  11.070
  329    HG1  THR  41           1HG      THR  41  -7.788  -4.781  11.581
  330   1HG2  THR  41          1HG2      THR  41 -10.432  -2.747   9.890
  331   2HG2  THR  41          2HG2      THR  41  -9.770  -4.191   9.124
  332   3HG2  THR  41          3HG2      THR  41  -8.686  -2.957   9.767
  333    H    ALA  42           H        ALA  42 -12.602  -2.149  11.505
  334    HA   ALA  42           HA       ALA  42 -14.686  -4.113  11.536
  335   1HB   ALA  42          1HB       ALA  42 -16.045  -2.253  10.507
  336   2HB   ALA  42          2HB       ALA  42 -14.592  -1.256  10.587
  337   3HB   ALA  42          3HB       ALA  42 -15.313  -1.883  12.069
  338    H    ASN  43           H        ASN  43 -13.345  -2.112   8.924
  339    HA   ASN  43           HA       ASN  43 -13.254  -4.356   7.138
  340   1HB   ASN  43          2HB       ASN  43 -15.373  -2.277   6.925
  341   2HB   ASN  43          1HB       ASN  43 -14.621  -2.821   5.428
  342   1HD2  ASN  43          1HD2      ASN  43 -14.616  -5.150   5.030
  343   2HD2  ASN  43          2HD2      ASN  43 -15.959  -6.087   5.583
  344    H    LYS  44           H        LYS  44 -11.228  -2.942   8.123
  345    HA   LYS  44           HA       LYS  44 -10.452  -1.038   6.032
  346   1HB   LYS  44          2HB       LYS  44  -8.819  -1.411   8.493
  347   2HB   LYS  44          1HB       LYS  44  -9.142   0.051   7.571
  348   1HG   LYS  44          2HG       LYS  44 -11.130   0.459   8.643
  349   2HG   LYS  44          1HG       LYS  44 -11.380  -1.240   9.063
  350   1HD   LYS  44          2HD       LYS  44 -10.048  -1.113  10.920
  351   2HD   LYS  44          1HD       LYS  44  -9.031   0.157  10.239
  352   1HE   LYS  44          2HE       LYS  44 -10.332   1.052  12.065
  353   2HE   LYS  44          1HE       LYS  44 -10.877   1.761  10.545
  354   1HZ   LYS  44          1HZ       LYS  44 -12.853   1.220  11.533
  355   2HZ   LYS  44          2HZ       LYS  44 -12.244  -0.163  12.292
  356   3HZ   LYS  44          3HZ       LYS  44 -12.579  -0.187  10.635
  357    H    TYR  45           H        TYR  45  -8.825  -1.430   4.689
  358    HA   TYR  45           HA       TYR  45  -7.542  -4.059   4.810
  359   1HB   TYR  45          2HB       TYR  45  -7.345  -1.982   2.616
  360   2HB   TYR  45          1HB       TYR  45  -6.891  -3.678   2.518
  361    HD1  TYR  45           1HD      TYR  45  -8.516  -5.366   2.079
  362    HD2  TYR  45           2HD      TYR  45  -9.728  -1.340   2.722
  363    HE1  TYR  45           1HE      TYR  45 -10.773  -5.925   1.273
  364    HE2  TYR  45           2HE      TYR  45 -11.988  -1.888   1.917
  365    HH   TYR  45           HH       TYR  45 -12.870  -3.976   0.180
  366    H    GLN  46           H        GLN  46  -5.247  -4.281   4.463
  367    HA   GLN  46           HA       GLN  46  -3.731  -2.091   5.691
  368   1HB   GLN  46          2HB       GLN  46  -3.684  -4.680   6.369
  369   2HB   GLN  46          1HB       GLN  46  -2.473  -4.729   5.097
  370   1HG   GLN  46          2HG       GLN  46  -1.886  -2.507   6.741
  371   2HG   GLN  46          1HG       GLN  46  -2.203  -3.883   7.796
  372   1HE2  GLN  46          1HE2      GLN  46  -0.007  -3.883   8.407
  373   2HE2  GLN  46          2HE2      GLN  46   1.212  -4.531   7.371
  374    H    VAL  47           H        VAL  47  -3.358  -0.708   4.060
  375    HA   VAL  47           HA       VAL  47  -2.302  -1.734   1.543
  376    HB   VAL  47           HB       VAL  47  -4.138  -0.261   1.234
  377   1HG1  VAL  47          1HG1      VAL  47  -4.581   1.111   2.943
  378   2HG1  VAL  47          2HG1      VAL  47  -3.514   2.246   2.114
  379   3HG1  VAL  47          3HG1      VAL  47  -2.884   1.232   3.412
  380   1HG2  VAL  47          1HG2      VAL  47  -2.244   0.015  -0.327
  381   2HG2  VAL  47          2HG2      VAL  47  -1.641   1.336   0.678
  382   3HG2  VAL  47          3HG2      VAL  47  -3.198   1.486  -0.137
  383    H    PHE  48           H        PHE  48  -0.473  -0.977   0.584
  384    HA   PHE  48           HA       PHE  48   1.543   0.167   2.404
  385   1HB   PHE  48          2HB       PHE  48   1.996  -2.099   1.472
  386   2HB   PHE  48          1HB       PHE  48   1.958  -1.411  -0.148
  387    HD1  PHE  48           1HD      PHE  48   4.035  -1.232  -1.075
  388    HD2  PHE  48           2HD      PHE  48   3.578  -0.477   3.088
  389    HE1  PHE  48           1HE      PHE  48   6.435  -0.712  -0.911
  390    HE2  PHE  48           2HE      PHE  48   5.976   0.045   3.260
  391    HZ   PHE  48           HZ       PHE  48   7.408  -0.074   1.260
  392    H    PHE  49           H        PHE  49   2.256   2.161   2.005
  393    HA   PHE  49           HA       PHE  49   1.456   3.510  -0.457
  394   1HB   PHE  49          2HB       PHE  49   2.605   4.538   2.144
  395   2HB   PHE  49          1HB       PHE  49   2.284   5.563   0.748
  396    HD1  PHE  49           1HD      PHE  49  -0.129   5.558  -0.165
  397    HD2  PHE  49           2HD      PHE  49   0.946   4.135   3.697
  398    HE1  PHE  49           1HE      PHE  49  -2.459   5.815   0.574
  399    HE2  PHE  49           2HE      PHE  49  -1.377   4.393   4.441
  400    HZ   PHE  49           HZ       PHE  49  -3.088   5.230   2.882
  401    H    PHE  50           H        PHE  50   2.849   3.337  -2.111
  402    HA   PHE  50           HA       PHE  50   5.553   2.624  -1.888
  403   1HB   PHE  50          2HB       PHE  50   3.964   3.898  -4.115
  404   2HB   PHE  50          1HB       PHE  50   5.674   3.516  -4.290
  405    HD1  PHE  50           1HD      PHE  50   6.280   1.031  -3.537
  406    HD2  PHE  50           2HD      PHE  50   2.457   2.348  -4.863
  407    HE1  PHE  50           1HE      PHE  50   5.700  -1.279  -4.150
  408    HE2  PHE  50           2HE      PHE  50   1.870   0.039  -5.473
  409    HZ   PHE  50           HZ       PHE  50   3.492  -1.777  -5.118
  410    H    GLY  51           H        GLY  51   7.289   4.105  -3.028
  411   1HA   GLY  51          2HA       GLY  51   8.569   6.020  -2.966
  412   2HA   GLY  51          1HA       GLY  51   7.106   6.916  -2.583
  413    H    THR  52           H        THR  52   6.280   6.330  -0.257
  414    HA   THR  52           HA       THR  52   8.490   6.937   1.544
  415    HB   THR  52           HB       THR  52   6.729   7.462   3.172
  416    HG1  THR  52           1HG      THR  52   4.573   7.275   2.579
  417   1HG2  THR  52          1HG2      THR  52   5.779   9.374   2.158
  418   2HG2  THR  52          2HG2      THR  52   5.963   8.690   0.543
  419   3HG2  THR  52          3HG2      THR  52   7.389   9.170   1.464
  420    H    HIS  53           H        HIS  53   6.404   4.330   0.682
  421    HA   HIS  53           HA       HIS  53   6.275   2.164   1.365
  422   1HB   HIS  53          2HB       HIS  53   8.806   2.812   2.897
  423   2HB   HIS  53          1HB       HIS  53   8.186   1.197   2.575
  424    HD1  HIS  53           1HD      HIS  53  10.649   3.416   1.385
  425    HD2  HIS  53           2HD      HIS  53   7.905   0.907  -0.473
  426    HE1  HIS  53           1HE      HIS  53  11.539   3.047  -0.938
  427    HE2  HIS  53           2HE      HIS  53   9.827   1.582  -2.065
  428    H    GLU  54           H        GLU  54   4.856   4.169   2.754
  429    HA   GLU  54           HA       GLU  54   4.996   3.444   5.577
  430   1HB   GLU  54          2HB       GLU  54   3.166   5.389   4.156
  431   2HB   GLU  54          1HB       GLU  54   3.311   5.196   5.898
  432   1HG   GLU  54          2HG       GLU  54   5.593   5.979   5.838
  433   2HG   GLU  54          1HG       GLU  54   5.548   6.071   4.078
  434    H    THR  55           H        THR  55   3.139   2.655   6.745
  435    HA   THR  55           HA       THR  55   1.223   1.238   5.023
  436    HB   THR  55           HB       THR  55   1.341  -0.206   7.407
  437    HG1  THR  55           1HG      THR  55   3.359  -0.317   8.016
  438   1HG2  THR  55          1HG2      THR  55   1.181  -1.651   5.710
  439   2HG2  THR  55          2HG2      THR  55   2.942  -1.673   5.808
  440   3HG2  THR  55          3HG2      THR  55   2.137  -0.646   4.622
  441    H    ALA  56           H        ALA  56  -0.869   1.267   5.547
  442    HA   ALA  56           HA       ALA  56  -1.743   2.275   8.122
  443   1HB   ALA  56          1HB       ALA  56  -2.816   3.825   5.834
  444   2HB   ALA  56          2HB       ALA  56  -1.187   4.198   6.397
  445   3HB   ALA  56          3HB       ALA  56  -2.552   4.309   7.510
  446    H    PHE  57           H        PHE  57  -4.202   2.450   8.182
  447    HA   PHE  57           HA       PHE  57  -5.333   0.253   6.585
  448   1HB   PHE  57          2HB       PHE  57  -5.900   1.184   9.395
  449   2HB   PHE  57          1HB       PHE  57  -7.018   0.147   8.515
  450    HD1  PHE  57           1HD      PHE  57  -6.874  -2.084   8.977
  451    HD2  PHE  57           2HD      PHE  57  -3.349   0.290   9.194
  452    HE1  PHE  57           1HE      PHE  57  -5.588  -4.062   9.678
  453    HE2  PHE  57           2HE      PHE  57  -2.056  -1.683   9.892
  454    HZ   PHE  57           HZ       PHE  57  -3.176  -3.862  10.136
  455    H    LEU  58           H        LEU  58  -6.936   0.732   5.220
  456    HA   LEU  58           HA       LEU  58  -8.602   3.081   5.755
  457   1HB   LEU  58          2HB       LEU  58  -7.077   2.539   3.216
  458   2HB   LEU  58          1HB       LEU  58  -8.463   3.613   3.270
  459    HG   LEU  58           HG       LEU  58  -6.976   4.667   5.268
  460   1HD1  LEU  58          1HD1      LEU  58  -5.011   3.514   5.200
  461   2HD1  LEU  58          2HD1      LEU  58  -4.647   4.787   4.034
  462   3HD1  LEU  58          3HD1      LEU  58  -5.132   3.187   3.471
  463   1HD2  LEU  58          1HD2      LEU  58  -6.062   6.188   3.358
  464   2HD2  LEU  58          2HD2      LEU  58  -7.791   6.137   3.695
  465   3HD2  LEU  58          3HD2      LEU  58  -7.130   5.222   2.339
  466    H    GLY  59           H        GLY  59 -10.577   3.131   4.397
  467   1HA   GLY  59          2HA       GLY  59 -11.633   0.422   4.152
  468   2HA   GLY  59          1HA       GLY  59 -12.572   1.909   4.161
  469    HA   PRO  60           HA       PRO  60 -11.998   0.229  -0.229
  470   1HB   PRO  60          2HB       PRO  60 -14.634  -0.189  -0.764
  471   2HB   PRO  60          1HB       PRO  60 -13.571  -1.430  -0.092
  472   1HG   PRO  60          2HG       PRO  60 -15.542   0.336   1.303
  473   2HG   PRO  60          1HG       PRO  60 -15.210  -1.388   1.551
  474   1HD   PRO  60          2HD       PRO  60 -14.237   0.540   3.187
  475   2HD   PRO  60          1HD       PRO  60 -13.362  -0.970   2.864
  476    H    LYS  61           H        LYS  61 -14.102   2.537   1.351
  477    HA   LYS  61           HA       LYS  61 -14.895   3.933  -0.994
  478   1HB   LYS  61          2HB       LYS  61 -14.724   5.090   1.785
  479   2HB   LYS  61          1HB       LYS  61 -15.793   5.577   0.476
  480   1HG   LYS  61          2HG       LYS  61 -16.619   3.074   0.710
  481   2HG   LYS  61          1HG       LYS  61 -16.001   3.289   2.348
  482   1HD   LYS  61          2HD       LYS  61 -17.727   4.583   2.929
  483   2HD   LYS  61          1HD       LYS  61 -17.582   5.559   1.466
  484   1HE   LYS  61          2HE       LYS  61 -19.754   4.453   1.579
  485   2HE   LYS  61          1HE       LYS  61 -18.813   3.871   0.208
  486   1HZ   LYS  61          1HZ       LYS  61 -19.601   1.928   1.100
  487   2HZ   LYS  61          2HZ       LYS  61 -19.518   2.479   2.697
  488   3HZ   LYS  61          3HZ       LYS  61 -18.104   2.040   1.881
  489    H    ASP  62           H        ASP  62 -12.063   3.954   0.995
  490    HA   ASP  62           HA       ASP  62 -11.121   6.446  -0.228
  491   1HB   ASP  62          2HB       ASP  62 -10.313   4.877   2.191
  492   2HB   ASP  62          1HB       ASP  62  -9.154   5.969   1.441
  493    H    LEU  63           H        LEU  63 -11.144   3.342  -1.113
  494    HA   LEU  63           HA       LEU  63  -8.416   3.433  -2.222
  495   1HB   LEU  63          2HB       LEU  63 -10.132   1.005  -1.701
  496   2HB   LEU  63          1HB       LEU  63  -8.504   0.994  -2.352
  497    HG   LEU  63           HG       LEU  63  -9.057   2.165   0.354
  498   1HD1  LEU  63          1HD1      LEU  63  -8.338  -0.110   1.226
  499   2HD1  LEU  63          2HD1      LEU  63  -8.740  -0.732  -0.374
  500   3HD1  LEU  63          3HD1      LEU  63  -9.988   0.025   0.618
  501   1HD2  LEU  63          1HD2      LEU  63  -6.849   2.315  -1.065
  502   2HD2  LEU  63          2HD2      LEU  63  -6.601   0.684  -0.443
  503   3HD2  LEU  63          3HD2      LEU  63  -6.793   2.035   0.675
  504    H    PHE  64           H        PHE  64  -8.148   3.185  -4.402
  505    HA   PHE  64           HA       PHE  64 -10.514   2.600  -6.044
  506   1HB   PHE  64          2HB       PHE  64  -8.631   4.874  -6.695
  507   2HB   PHE  64          1HB       PHE  64 -10.165   4.487  -7.466
  508    HD1  PHE  64           1HD      PHE  64 -12.018   5.707  -6.879
  509    HD2  PHE  64           2HD      PHE  64  -8.805   5.376  -4.107
  510    HE1  PHE  64           1HE      PHE  64 -13.181   7.247  -5.351
  511    HE2  PHE  64           2HE      PHE  64  -9.962   6.914  -2.576
  512    HZ   PHE  64           HZ       PHE  64 -12.153   7.852  -3.196
  513    HA   PRO  65           HA       PRO  65  -7.720   0.281  -8.549
  514   1HB   PRO  65          2HB       PRO  65  -8.891   1.150 -11.053
  515   2HB   PRO  65          1HB       PRO  65  -9.089  -0.390 -10.220
  516   1HG   PRO  65          2HG       PRO  65 -11.092   1.443 -10.491
  517   2HG   PRO  65          1HG       PRO  65 -10.996   0.287  -9.152
  518   1HD   PRO  65          2HD       PRO  65 -10.246   3.185  -9.216
  519   2HD   PRO  65          1HD       PRO  65 -11.059   2.258  -7.936
  520    H    TYR  66           H        TYR  66  -5.656   0.883  -8.758
  521    HA   TYR  66           HA       TYR  66  -4.678   3.383  -9.408
  522   1HB   TYR  66          2HB       TYR  66  -3.267   1.725  -8.364
  523   2HB   TYR  66          1HB       TYR  66  -3.376   0.679  -9.775
  524    HD1  TYR  66           1HD      TYR  66  -1.989   3.858  -8.504
  525    HD2  TYR  66           2HD      TYR  66  -1.966   1.009 -11.664
  526    HE1  TYR  66           1HE      TYR  66   0.011   4.931  -9.452
  527    HE2  TYR  66           2HE      TYR  66   0.033   2.074 -12.620
  528    HH   TYR  66           HH       TYR  66   1.932   3.502 -11.797
  529    H    GLU  67           H        GLU  67  -4.767   0.562 -11.595
  530    HA   GLU  67           HA       GLU  67  -3.808   1.737 -13.886
  531   1HB   GLU  67          2HB       GLU  67  -5.863  -0.420 -13.480
  532   2HB   GLU  67          1HB       GLU  67  -5.382   0.086 -15.094
  533   1HG   GLU  67          2HG       GLU  67  -3.000  -0.390 -14.382
  534   2HG   GLU  67          1HG       GLU  67  -3.689  -1.181 -12.965
  535    H    GLU  68           H        GLU  68  -7.129   1.767 -12.707
  536    HA   GLU  68           HA       GLU  68  -8.203   3.151 -14.933
  537   1HB   GLU  68          2HB       GLU  68  -9.211   1.872 -12.652
  538   2HB   GLU  68          1HB       GLU  68  -9.768   3.535 -12.546
  539   1HG   GLU  68          2HG       GLU  68 -11.394   3.013 -13.947
  540   2HG   GLU  68          1HG       GLU  68 -10.179   2.777 -15.202
  541    H    SER  69           H        SER  69  -7.001   4.233 -11.781
  542    HA   SER  69           HA       SER  69  -7.583   7.000 -12.604
  543   1HB   SER  69          2HB       SER  69  -6.769   6.158  -9.830
  544   2HB   SER  69          1HB       SER  69  -7.614   7.623 -10.332
  545    HG   SER  69           HG       SER  69  -8.644   4.979 -10.440
  546    H    LYS  70           H        LYS  70  -5.139   5.109 -13.164
  547    HA   LYS  70           HA       LYS  70  -2.891   6.201 -11.925
  548   1HB   LYS  70          2HB       LYS  70  -1.604   5.270 -13.770
  549   2HB   LYS  70          1HB       LYS  70  -2.833   4.133 -13.236
  550   1HG   LYS  70          2HG       LYS  70  -4.263   4.924 -15.130
  551   2HG   LYS  70          1HG       LYS  70  -2.872   5.847 -15.704
  552   1HD   LYS  70          2HD       LYS  70  -2.305   3.033 -15.094
  553   2HD   LYS  70          1HD       LYS  70  -3.444   3.280 -16.420
  554   1HE   LYS  70          2HE       LYS  70  -0.729   4.578 -16.204
  555   2HE   LYS  70          1HE       LYS  70  -1.087   3.144 -17.167
  556   1HZ   LYS  70          1HZ       LYS  70  -2.792   4.560 -18.328
  557   2HZ   LYS  70          2HZ       LYS  70  -1.178   4.962 -18.631
  558   3HZ   LYS  70          3HZ       LYS  70  -2.096   5.900 -17.564
  559    H    GLU  71           H        GLU  71  -4.486   7.159 -14.949
  560    HA   GLU  71           HA       GLU  71  -2.642   9.199 -15.599
  561   1HB   GLU  71          2HB       GLU  71  -5.496   8.729 -16.457
  562   2HB   GLU  71          1HB       GLU  71  -4.480   9.999 -17.127
  563   1HG   GLU  71          2HG       GLU  71  -3.053   8.478 -18.163
  564   2HG   GLU  71          1HG       GLU  71  -3.609   7.136 -17.164
  565    H    LYS  72           H        LYS  72  -5.650   9.222 -13.748
  566    HA   LYS  72           HA       LYS  72  -5.644  12.099 -13.509
  567   1HB   LYS  72          2HB       LYS  72  -7.625  11.775 -12.095
  568   2HB   LYS  72          1HB       LYS  72  -7.766  10.926 -13.629
  569   1HG   LYS  72          2HG       LYS  72  -6.820   8.915 -12.232
  570   2HG   LYS  72          1HG       LYS  72  -7.464   9.842 -10.878
  571   1HD   LYS  72          2HD       LYS  72  -9.039   9.042 -13.323
  572   2HD   LYS  72          1HD       LYS  72  -9.068   8.183 -11.782
  573   1HE   LYS  72          2HE       LYS  72 -10.225   9.857 -10.716
  574   2HE   LYS  72          1HE       LYS  72  -9.634  11.108 -11.810
  575   1HZ   LYS  72          1HZ       LYS  72 -11.072  10.215 -13.539
  576   2HZ   LYS  72          2HZ       LYS  72 -11.974  10.657 -12.177
  577   3HZ   LYS  72          3HZ       LYS  72 -11.644   9.025 -12.479
  578    H    PHE  73           H        PHE  73  -4.994   9.357 -11.343
  579    HA   PHE  73           HA       PHE  73  -4.237  11.214  -9.218
  580   1HB   PHE  73          2HB       PHE  73  -4.456   8.199  -9.222
  581   2HB   PHE  73          1HB       PHE  73  -4.081   9.185  -7.814
  582    HD1  PHE  73           1HD      PHE  73  -6.333   7.253  -7.935
  583    HD2  PHE  73           2HD      PHE  73  -6.161  11.387  -8.936
  584    HE1  PHE  73           1HE      PHE  73  -8.735   7.465  -7.454
  585    HE2  PHE  73           2HE      PHE  73  -8.563  11.605  -8.455
  586    HZ   PHE  73           HZ       PHE  73  -9.853   9.642  -7.712
  587    H    GLY  74           H        GLY  74  -2.684   9.476 -11.706
  588   1HA   GLY  74          2HA       GLY  74  -0.197   9.170 -10.227
  589   2HA   GLY  74          1HA       GLY  74  -0.486   8.679 -11.886
  590    H    LYS  75           H        LYS  75  -0.061  11.557  -9.838
  591    HA   LYS  75           HA       LYS  75   1.588  12.748 -11.922
  592   1HB   LYS  75          2HB       LYS  75  -0.908  14.017 -10.794
  593   2HB   LYS  75          1HB       LYS  75   0.361  14.951 -11.572
  594   1HG   LYS  75          2HG       LYS  75  -0.625  12.665 -13.127
  595   2HG   LYS  75          1HG       LYS  75  -1.804  13.942 -12.836
  596   1HD   LYS  75          2HD       LYS  75   0.412  15.374 -13.531
  597   2HD   LYS  75          1HD       LYS  75   0.586  13.932 -14.532
  598   1HE   LYS  75          2HE       LYS  75  -0.655  15.680 -15.703
  599   2HE   LYS  75          1HE       LYS  75  -1.662  14.261 -15.416
  600   1HZ   LYS  75          1HZ       LYS  75  -2.865  15.352 -13.776
  601   2HZ   LYS  75          2HZ       LYS  75  -2.644  16.556 -14.941
  602   3HZ   LYS  75          3HZ       LYS  75  -1.689  16.546 -13.546
  603    HA   PRO  76           HA       PRO  76   4.245  13.945  -8.615
  604   1HB   PRO  76          2HB       PRO  76   4.201  16.660  -9.861
  605   2HB   PRO  76          1HB       PRO  76   5.581  15.669  -9.372
  606   1HG   PRO  76          2HG       PRO  76   4.908  15.879 -11.938
  607   2HG   PRO  76          1HG       PRO  76   5.466  14.335 -11.266
  608   1HD   PRO  76          2HD       PRO  76   2.713  15.191 -12.017
  609   2HD   PRO  76          1HD       PRO  76   3.460  13.583 -12.098
  610    H    ASN  77           H        ASN  77   4.291  15.153  -6.685
  611    HA   ASN  77           HA       ASN  77   1.978  16.902  -6.189
  612   1HB   ASN  77          2HB       ASN  77   1.556  14.516  -5.424
  613   2HB   ASN  77          1HB       ASN  77   2.827  14.766  -4.231
  614   1HD2  ASN  77          1HD2      ASN  77   0.181  16.813  -5.419
  615   2HD2  ASN  77          2HD2      ASN  77  -0.507  17.116  -3.865
  616    H    LYS  78           H        LYS  78   2.156  18.051  -4.063
  617    HA   LYS  78           HA       LYS  78   4.829  19.153  -3.843
  618   1HB   LYS  78          2HB       LYS  78   2.177  19.980  -2.661
  619   2HB   LYS  78          1HB       LYS  78   3.688  20.814  -2.331
  620   1HG   LYS  78          2HG       LYS  78   2.886  22.102  -4.026
  621   2HG   LYS  78          1HG       LYS  78   3.815  20.925  -4.957
  622   1HD   LYS  78          2HD       LYS  78   1.626  19.590  -5.081
  623   2HD   LYS  78          1HD       LYS  78   0.843  21.081  -4.553
  624   1HE   LYS  78          2HE       LYS  78   0.921  21.898  -6.617
  625   2HE   LYS  78          1HE       LYS  78   2.667  21.663  -6.681
  626   1HZ   LYS  78          1HZ       LYS  78   0.957  20.412  -8.283
  627   2HZ   LYS  78          2HZ       LYS  78   1.048  19.277  -7.033
  628   3HZ   LYS  78          3HZ       LYS  78   2.454  19.760  -7.838
  629    H    ARG  79           H        ARG  79   2.922  16.840  -2.215
  630    HA   ARG  79           HA       ARG  79   3.873  17.209   0.424
  631   1HB   ARG  79          2HB       ARG  79   2.500  15.024  -1.061
  632   2HB   ARG  79          1HB       ARG  79   3.299  14.609   0.449
  633   1HG   ARG  79          2HG       ARG  79   1.077  15.069   1.023
  634   2HG   ARG  79          1HG       ARG  79   1.986  16.505   1.499
  635   1HD   ARG  79          2HD       ARG  79   1.338  17.251  -0.969
  636   2HD   ARG  79          1HD       ARG  79   0.002  16.137  -0.679
  637    HE   ARG  79           HE       ARG  79  -0.884  17.632   0.817
  638   1HH1  ARG  79          1HH1      ARG  79   2.402  18.558   0.091
  639   2HH1  ARG  79          2HH1      ARG  79   2.280  20.086   0.896
  640   1HH2  ARG  79          1HH2      ARG  79  -1.044  19.639   1.876
  641   2HH2  ARG  79          2HH2      ARG  79   0.325  20.700   1.910
  642    H    LYS  80           H        LYS  80   5.372  16.152  -2.391
  643    HA   LYS  80           HA       LYS  80   7.417  15.325  -2.862
  644   1HB   LYS  80          2HB       LYS  80   7.918  15.946   0.052
  645   2HB   LYS  80          1HB       LYS  80   9.166  15.453  -1.084
  646   1HG   LYS  80          2HG       LYS  80   7.632  18.013  -0.957
  647   2HG   LYS  80          1HG       LYS  80   9.374  17.754  -1.063
  648   1HD   LYS  80          2HD       LYS  80   9.053  16.910  -3.381
  649   2HD   LYS  80          1HD       LYS  80   7.341  17.324  -3.260
  650   1HE   LYS  80          2HE       LYS  80   9.640  19.261  -2.982
  651   2HE   LYS  80          1HE       LYS  80   8.648  19.055  -4.425
  652   1HZ   LYS  80          1HZ       LYS  80   6.748  19.851  -3.276
  653   2HZ   LYS  80          2HZ       LYS  80   7.999  20.949  -2.970
  654   3HZ   LYS  80          3HZ       LYS  80   7.546  19.832  -1.783
  655    H    GLY  81           H        GLY  81   8.390  13.364  -2.994
  656   1HA   GLY  81          2HA       GLY  81   8.871  11.147  -2.351
  657   2HA   GLY  81          1HA       GLY  81   7.751  11.321  -1.004
  658    H    PHE  82           H        PHE  82   5.842  12.564  -3.123
  659    HA   PHE  82           HA       PHE  82   4.213  10.331  -3.512
  660   1HB   PHE  82          2HB       PHE  82   3.462  12.698  -3.576
  661   2HB   PHE  82          1HB       PHE  82   4.275  12.892  -5.126
  662    HD1  PHE  82           1HD      PHE  82   1.333  11.725  -3.419
  663    HD2  PHE  82           2HD      PHE  82   3.469  11.607  -7.096
  664    HE1  PHE  82           1HE      PHE  82  -0.696  10.949  -4.568
  665    HE2  PHE  82           2HE      PHE  82   1.445  10.832  -8.254
  666    HZ   PHE  82           HZ       PHE  82  -0.644  10.499  -6.989
  667    H    SER  83           H        SER  83   6.167  12.089  -5.919
  668    HA   SER  83           HA       SER  83   5.738  10.416  -8.081
  669   1HB   SER  83          2HB       SER  83   8.319  11.213  -8.499
  670   2HB   SER  83          1HB       SER  83   6.898  12.190  -8.860
  671    HG   SER  83           HG       SER  83   8.783  12.479  -6.874
  672    H    GLU  84           H        GLU  84   8.280  10.190  -5.601
  673    HA   GLU  84           HA       GLU  84   9.761   8.096  -6.587
  674   1HB   GLU  84          2HB       GLU  84  10.222   9.391  -4.489
  675   2HB   GLU  84          1HB       GLU  84   8.987   8.432  -3.684
  676   1HG   GLU  84          2HG       GLU  84  10.397   6.759  -3.337
  677   2HG   GLU  84          1HG       GLU  84  10.901   6.744  -5.026
  678    H    GLY  85           H        GLY  85   6.573   8.037  -5.158
  679   1HA   GLY  85          2HA       GLY  85   6.477   5.199  -4.796
  680   2HA   GLY  85          1HA       GLY  85   5.109   6.303  -4.746
  681    H    LEU  86           H        LEU  86   5.696   7.414  -7.389
  682    HA   LEU  86           HA       LEU  86   4.106   5.713  -8.957
  683   1HB   LEU  86          2HB       LEU  86   5.953   7.975  -9.713
  684   2HB   LEU  86          1HB       LEU  86   4.927   7.153 -10.872
  685    HG   LEU  86           HG       LEU  86   3.877   8.581  -8.431
  686   1HD1  LEU  86          1HD1      LEU  86   5.063  10.056 -10.103
  687   2HD1  LEU  86          2HD1      LEU  86   3.373  10.447  -9.789
  688   3HD1  LEU  86          3HD1      LEU  86   3.821   9.590 -11.263
  689   1HD2  LEU  86          1HD2      LEU  86   1.810   7.990  -9.089
  690   2HD2  LEU  86          2HD2      LEU  86   2.652   6.684  -9.922
  691   3HD2  LEU  86          3HD2      LEU  86   2.198   8.143 -10.802
  692    H    TRP  87           H        TRP  87   7.604   6.211  -8.846
  693    HA   TRP  87           HA       TRP  87   8.285   4.503 -10.984
  694   1HB   TRP  87          2HB       TRP  87   9.875   6.119 -10.129
  695   2HB   TRP  87          1HB       TRP  87   9.862   5.359  -8.541
  696    HD1  TRP  87           HD       TRP  87  11.455   5.108 -11.956
  697    HE1  TRP  87           1HE      TRP  87  13.242   3.258 -11.932
  698    HE3  TRP  87           3HE      TRP  87  10.414   3.036  -7.400
  699    HZ2  TRP  87           2HZ      TRP  87  14.095   1.186 -10.207
  700    HZ3  TRP  87           3HZ      TRP  87  11.760   1.126  -6.636
  701    HH2  TRP  87           HH       TRP  87  13.562   0.219  -8.011
  702    H    GLU  88           H        GLU  88   8.052   3.902  -7.473
  703    HA   GLU  88           HA       GLU  88   8.960   1.244  -7.543
  704   1HB   GLU  88          2HB       GLU  88   7.595   2.994  -5.609
  705   2HB   GLU  88          1HB       GLU  88   7.276   1.279  -5.390
  706   1HG   GLU  88          2HG       GLU  88   9.128   1.387  -4.128
  707   2HG   GLU  88          1HG       GLU  88   9.937   1.199  -5.684
  708    H    ILE  89           H        ILE  89   5.609   2.496  -7.494
  709    HA   ILE  89           HA       ILE  89   4.267   0.093  -7.514
  710    HB   ILE  89           HB       ILE  89   3.227   2.323  -7.272
  711   1HG1  ILE  89          2HG1      ILE  89   1.534   1.373  -9.404
  712   2HG1  ILE  89          1HG1      ILE  89   2.172   0.015  -8.478
  713   1HG2  ILE  89          1HG2      ILE  89   3.992   2.531 -10.131
  714   2HG2  ILE  89          2HG2      ILE  89   3.998   3.750  -8.858
  715   3HG2  ILE  89          3HG2      ILE  89   2.478   3.272  -9.613
  716   1HD1  ILE  89          1HD1      ILE  89   0.145   1.937  -7.774
  717   2HD1  ILE  89          2HD1      ILE  89   1.425   1.861  -6.562
  718   3HD1  ILE  89          3HD1      ILE  89   0.554   0.397  -7.019
  719    H    GLU  90           H        GLU  90   6.033   1.600 -10.089
  720    HA   GLU  90           HA       GLU  90   4.928  -0.269 -12.052
  721   1HB   GLU  90          2HB       GLU  90   5.904   2.421 -12.164
  722   2HB   GLU  90          1HB       GLU  90   6.845   1.423 -13.264
  723   1HG   GLU  90          2HG       GLU  90   4.693   0.609 -14.235
  724   2HG   GLU  90          1HG       GLU  90   3.863   1.807 -13.242
  725    H    ASN  91           H        ASN  91   8.077   0.736 -10.732
  726    HA   ASN  91           HA       ASN  91   9.469  -1.284 -12.242
  727   1HB   ASN  91          2HB       ASN  91  10.231   0.935 -10.435
  728   2HB   ASN  91          1HB       ASN  91  11.342  -0.428 -10.508
  729   1HD2  ASN  91          1HD2      ASN  91   9.807   2.120 -12.327
  730   2HD2  ASN  91          2HD2      ASN  91  10.903   2.096 -13.662
  731    H    ASN  92           H        ASN  92   8.270  -0.943  -8.961
  732    HA   ASN  92           HA       ASN  92   8.703  -3.761  -8.518
  733   1HB   ASN  92          2HB       ASN  92  10.854  -2.493  -7.860
  734   2HB   ASN  92          1HB       ASN  92   9.916  -1.890  -6.498
  735   1HD2  ASN  92          1HD2      ASN  92  11.953  -3.174  -5.673
  736   2HD2  ASN  92          2HD2      ASN  92  11.610  -4.795  -5.189
  737    HA   PRO  93           HA       PRO  93   4.920  -2.193  -6.466
  738   1HB   PRO  93          2HB       PRO  93   3.322  -4.239  -7.159
  739   2HB   PRO  93          1HB       PRO  93   3.699  -2.927  -8.284
  740   1HG   PRO  93          2HG       PRO  93   4.889  -5.669  -8.104
  741   2HG   PRO  93          1HG       PRO  93   4.387  -4.761  -9.541
  742   1HD   PRO  93          2HD       PRO  93   6.979  -4.934  -8.700
  743   2HD   PRO  93          1HD       PRO  93   6.337  -3.550  -9.608
  744    H    THR  94           H        THR  94   6.897  -4.945  -6.070
  745    HA   THR  94           HA       THR  94   5.408  -5.832  -3.708
  746    HB   THR  94           HB       THR  94   7.389  -7.631  -3.879
  747    HG1  THR  94           1HG      THR  94   8.218  -6.478  -5.761
  748   1HG2  THR  94          1HG2      THR  94   5.898  -9.128  -4.740
  749   2HG2  THR  94          2HG2      THR  94   5.228  -7.969  -5.889
  750   3HG2  THR  94          3HG2      THR  94   4.805  -7.862  -4.180
  751    H    VAL  95           H        VAL  95   7.461  -3.469  -4.160
  752    HA   VAL  95           HA       VAL  95   9.680  -3.986  -2.521
  753    HB   VAL  95           HB       VAL  95   9.572  -2.062  -4.038
  754   1HG1  VAL  95          1HG1      VAL  95   7.731  -0.822  -4.096
  755   2HG1  VAL  95          2HG1      VAL  95   8.215  -0.118  -2.553
  756   3HG1  VAL  95          3HG1      VAL  95   7.147  -1.520  -2.587
  757   1HG2  VAL  95          1HG2      VAL  95   9.956  -0.460  -1.705
  758   2HG2  VAL  95          2HG2      VAL  95  11.164  -1.159  -2.782
  759   3HG2  VAL  95          3HG2      VAL  95  10.579  -2.081  -1.398
  760    H    LYS  96           H        LYS  96  10.070  -3.683  -0.358
  761    HA   LYS  96           HA       LYS  96   8.077  -2.562   1.393
  762   1HB   LYS  96          2HB       LYS  96   7.878  -4.635   2.775
  763   2HB   LYS  96          1HB       LYS  96   7.115  -4.747   1.195
  764   1HG   LYS  96          2HG       LYS  96   8.312  -6.540   0.708
  765   2HG   LYS  96          1HG       LYS  96   9.811  -5.649   0.978
  766   1HD   LYS  96          2HD       LYS  96  10.040  -7.299   2.549
  767   2HD   LYS  96          1HD       LYS  96   9.206  -6.076   3.511
  768   1HE   LYS  96          2HE       LYS  96   7.580  -7.531   3.917
  769   2HE   LYS  96          1HE       LYS  96   7.223  -7.597   2.191
  770   1HZ   LYS  96          1HZ       LYS  96   9.188  -9.301   3.626
  771   2HZ   LYS  96          2HZ       LYS  96   8.876  -9.355   1.965
  772   3HZ   LYS  96          3HZ       LYS  96   7.668  -9.793   3.067
  773    H    ALA  97           H        ALA  97   8.884  -1.996   3.391
  774    HA   ALA  97           HA       ALA  97  11.793  -2.136   3.627
  775   1HB   ALA  97          1HB       ALA  97  10.423   0.024   3.827
  776   2HB   ALA  97          2HB       ALA  97  11.677  -0.274   5.032
  777   3HB   ALA  97          3HB       ALA  97   9.983  -0.564   5.431
  778    H    SER  98           H        SER  98  12.572  -3.826   4.704
  779    HA   SER  98           HA       SER  98  12.913  -5.393   6.316
  780   1HB   SER  98          2HB       SER  98  11.520  -3.207   7.795
  781   2HB   SER  98          1HB       SER  98  11.704  -4.764   8.602
  782    HG   SER  98           HG       SER  98  13.841  -3.333   7.407
  783    H    GLY  99           H        GLY  99  11.552  -6.746   8.081
  784   1HA   GLY  99          2HA       GLY  99   9.151  -7.471   8.404
  785   2HA   GLY  99          1HA       GLY  99   9.108  -7.587   6.651
  786    H    TYR 100           H        TYR 100  11.961  -8.602   6.721
  787    HA   TYR 100           HA       TYR 100  11.657 -11.198   7.993
  788   1HB   TYR 100          2HB       TYR 100  10.648 -11.201   5.596
  789   2HB   TYR 100          1HB       TYR 100  12.327 -11.163   5.065
  790    HD1  TYR 100           1HD      TYR 100  13.706 -13.100   5.199
  791    HD2  TYR 100           2HD      TYR 100   9.802 -13.136   6.885
  792    HE1  TYR 100           1HE      TYR 100  13.844 -15.539   5.450
  793    HE2  TYR 100           2HE      TYR 100   9.928 -15.576   7.142
  794    HH   TYR 100           HH       TYR 100  11.832 -17.493   5.600
  795    H    GLN 101           H        GLN 101  13.656 -12.510   7.817
  796    HA   GLN 101           HA       GLN 101  15.898 -12.754   8.105
  797   1HB   GLN 101          2HB       GLN 101  15.732 -10.740   5.905
  798   2HB   GLN 101          1HB       GLN 101  17.299 -11.056   6.639
  799   1HG   GLN 101          2HG       GLN 101  17.457 -13.127   5.753
  800   2HG   GLN 101          1HG       GLN 101  15.719 -13.414   5.828
  801   1HE2  GLN 101          1HE2      GLN 101  17.991 -11.233   4.186
  802   2HE2  GLN 101          2HE2      GLN 101  17.243 -11.347   2.633
  803    H    SER 102           H        SER 102  16.424 -12.241  10.142
  804    HA   SER 102           HA       SER 102  17.542  -9.636  10.669
  805   1HB   SER 102          2HB       SER 102  14.941 -10.509  11.864
  806   2HB   SER 102          1HB       SER 102  16.052  -9.556  12.845
  807    HG   SER 102           HG       SER 102  16.074  -8.083  10.954
  808    H    SER 103           H        SER 103  19.396 -10.096  11.636
  809    HA   SER 103           HA       SER 103  20.967 -11.055  12.971
  810   1HB   SER 103          2HB       SER 103  18.984 -10.464  14.637
  811   2HB   SER 103          1HB       SER 103  18.891 -12.220  14.775
  812    HG   SER 103           HG       SER 103  21.200 -10.626  15.216
  813    H    GLN 104           H        GLN 104  21.545 -12.574  11.362
  814    HA   GLN 104           HA       GLN 104  20.379 -15.250  11.611
  815   1HB   GLN 104          2HB       GLN 104  22.195 -14.042   9.520
  816   2HB   GLN 104          1HB       GLN 104  21.681 -15.724   9.522
  817   1HG   GLN 104          2HG       GLN 104  19.709 -15.228   8.628
  818   2HG   GLN 104          1HG       GLN 104  19.447 -13.887   9.743
  819   1HE2  GLN 104          1HE2      GLN 104  20.140 -14.781   6.576
  820   2HE2  GLN 104          2HE2      GLN 104  20.525 -13.219   5.949
  821    H    LYS 105           H        LYS 105  23.530 -13.612  11.604
  822    HA   LYS 105           HA       LYS 105  24.557 -15.502  13.523
  823   1HB   LYS 105          2HB       LYS 105  26.509 -16.147  12.127
  824   2HB   LYS 105          1HB       LYS 105  24.983 -16.765  11.511
  825   1HG   LYS 105          2HG       LYS 105  25.048 -14.575  10.065
  826   2HG   LYS 105          1HG       LYS 105  26.779 -14.682  10.386
  827   1HD   LYS 105          2HD       LYS 105  26.557 -17.128   9.620
  828   2HD   LYS 105          1HD       LYS 105  25.007 -16.626   8.943
  829   1HE   LYS 105          2HE       LYS 105  26.168 -14.876   7.654
  830   2HE   LYS 105          1HE       LYS 105  27.708 -15.450   8.295
  831   1HZ   LYS 105          1HZ       LYS 105  27.735 -17.177   6.892
  832   2HZ   LYS 105          2HZ       LYS 105  26.611 -16.287   5.995
  833   3HZ   LYS 105          3HZ       LYS 105  26.080 -17.492   7.057
  834    H    LYS 106           H        LYS 106  24.072 -12.685  13.487
  835    HA   LYS 106           HA       LYS 106  25.047 -10.738  14.141
  836   1HB   LYS 106          2HB       LYS 106  26.475 -12.773  15.389
  837   2HB   LYS 106          1HB       LYS 106  27.721 -11.749  14.689
  838   1HG   LYS 106          2HG       LYS 106  27.517 -10.443  16.466
  839   2HG   LYS 106          1HG       LYS 106  25.930  -9.972  15.856
  840   1HD   LYS 106          2HD       LYS 106  25.038 -12.039  17.050
  841   2HD   LYS 106          1HD       LYS 106  26.603 -12.107  17.864
  842   1HE   LYS 106          2HE       LYS 106  26.025  -9.543  18.304
  843   2HE   LYS 106          1HE       LYS 106  24.381 -10.164  18.159
  844   1HZ   LYS 106          1HZ       LYS 106  25.240 -10.171  20.456
  845   2HZ   LYS 106          2HZ       LYS 106  26.435 -11.275  19.994
  846   3HZ   LYS 106          3HZ       LYS 106  24.803 -11.714  19.916
  847    H    SER 107           H        SER 107  25.020  -9.839  12.059
  848    HA   SER 107           HA       SER 107  27.290 -10.197  10.306
  849   1HB   SER 107          2HB       SER 107  24.656  -9.567   9.868
  850   2HB   SER 107          1HB       SER 107  25.439  -7.996   9.695
  851    HG   SER 107           HG       SER 107  25.867 -10.363   8.223
  852    H    CYS 108           H        CYS 108  28.237  -8.109   9.322
  853    HA   CYS 108           HA       CYS 108  28.838  -6.218  11.501
  854   1HB   CYS 108          2HB       CYS 108  30.730  -7.756  10.995
  855   2HB   CYS 108          1HB       CYS 108  30.748  -7.143   9.345
  856    HG   CYS 108           HG       CYS 108  32.488  -5.714  10.440
  857    H    ALA 109           H        ALA 109  28.648  -6.667   7.992
  858    HA   ALA 109           HA       ALA 109  28.512  -3.765   7.625
  859   1HB   ALA 109          1HB       ALA 109  28.771  -5.981   5.595
  860   2HB   ALA 109          2HB       ALA 109  30.072  -4.950   6.190
  861   3HB   ALA 109          3HB       ALA 109  28.765  -4.256   5.231
  862    H    GLU 110           H        GLU 110  26.900  -2.966   6.004
  863    HA   GLU 110           HA       GLU 110  24.280  -3.916   6.750
  864   1HB   GLU 110          2HB       GLU 110  25.401  -1.534   5.404
  865   2HB   GLU 110          1HB       GLU 110  23.784  -2.001   4.899
  866   1HG   GLU 110          2HG       GLU 110  24.025  -2.050   7.770
  867   2HG   GLU 110          1HG       GLU 110  24.487  -0.480   7.117
  Start of MODEL   22
    1   1H    MET   1          1HT       MET   1 -34.422  -6.164   1.046
    2   2H    MET   1          2HT       MET   1 -33.585  -5.757  -0.396
    3   3H    MET   1          3HT       MET   1 -34.382  -4.537   0.510
    4    HA   MET   1           HA       MET   1 -32.899  -4.919   2.342
    5   1HB   MET   1          2HB       MET   1 -30.906  -6.344   1.917
    6   2HB   MET   1          1HB       MET   1 -32.412  -7.252   1.937
    7   1HG   MET   1          2HG       MET   1 -32.329  -7.713  -0.297
    8   2HG   MET   1          1HG       MET   1 -31.386  -6.273  -0.673
    9   1HE   MET   1          1HE       MET   1 -27.917  -7.021  -0.435
   10   2HE   MET   1          2HE       MET   1 -28.426  -6.766   1.234
   11   3HE   MET   1          3HE       MET   1 -29.180  -5.845  -0.067
   12    H    SER   2           H        SER   2 -31.386  -3.345   2.524
   13    HA   SER   2           HA       SER   2 -29.955  -2.431   0.152
   14   1HB   SER   2          2HB       SER   2 -32.159  -1.149   0.400
   15   2HB   SER   2          1HB       SER   2 -31.451  -0.436   1.849
   16    HG   SER   2           HG       SER   2 -30.091   0.691   0.654
   17    H    ARG   3           H        ARG   3 -27.953  -1.663   0.588
   18    HA   ARG   3           HA       ARG   3 -27.265  -0.999   3.356
   19   1HB   ARG   3          2HB       ARG   3 -26.670  -3.474   2.309
   20   2HB   ARG   3          1HB       ARG   3 -25.191  -2.571   2.010
   21   1HG   ARG   3          2HG       ARG   3 -25.115  -1.965   4.400
   22   2HG   ARG   3          1HG       ARG   3 -26.544  -2.965   4.670
   23   1HD   ARG   3          2HD       ARG   3 -25.395  -4.941   4.214
   24   2HD   ARG   3          1HD       ARG   3 -24.096  -4.100   3.369
   25    HE   ARG   3           HE       ARG   3 -24.231  -4.662   6.149
   26   1HH1  ARG   3          1HH1      ARG   3 -23.123  -2.270   3.862
   27   2HH1  ARG   3          2HH1      ARG   3 -21.875  -1.672   4.902
   28   1HH2  ARG   3          1HH2      ARG   3 -22.590  -3.875   7.519
   29   2HH2  ARG   3          2HH2      ARG   3 -21.572  -2.582   6.978
   30    H    SER   4           H        SER   4 -25.465  -1.514   0.322
   31    HA   SER   4           HA       SER   4 -24.698   1.325   0.383
   32   1HB   SER   4          2HB       SER   4 -22.689  -0.664  -0.565
   33   2HB   SER   4          1HB       SER   4 -22.444   0.895   0.222
   34    HG   SER   4           HG       SER   4 -22.191  -1.346   1.380
   35    H    ASN   5           H        ASN   5 -23.267   1.599  -1.836
   36    HA   ASN   5           HA       ASN   5 -25.138   0.793  -3.953
   37   1HB   ASN   5          2HB       ASN   5 -24.089   3.296  -3.278
   38   2HB   ASN   5          1HB       ASN   5 -23.222   2.826  -4.737
   39   1HD2  ASN   5          1HD2      ASN   5 -26.403   3.337  -3.349
   40   2HD2  ASN   5          2HD2      ASN   5 -27.214   3.632  -4.845
   41    H    ARG   6           H        ARG   6 -21.713   1.760  -3.990
   42    HA   ARG   6           HA       ARG   6 -21.128  -0.159  -6.046
   43   1HB   ARG   6          2HB       ARG   6 -19.850   2.155  -4.879
   44   2HB   ARG   6          1HB       ARG   6 -18.708   0.824  -5.006
   45   1HG   ARG   6          2HG       ARG   6 -20.250   1.077  -7.426
   46   2HG   ARG   6          1HG       ARG   6 -19.468   2.603  -7.011
   47   1HD   ARG   6          2HD       ARG   6 -17.782   1.620  -8.196
   48   2HD   ARG   6          1HD       ARG   6 -17.399   1.023  -6.584
   49    HE   ARG   6           HE       ARG   6 -18.194  -1.098  -7.194
   50   1HH1  ARG   6          1HH1      ARG   6 -18.417   1.179  -9.840
   51   2HH1  ARG   6          2HH1      ARG   6 -18.602  -0.053 -11.041
   52   1HH2  ARG   6          1HH2      ARG   6 -18.442  -2.708  -8.778
   53   2HH2  ARG   6          2HH2      ARG   6 -18.619  -2.255 -10.440
   54    H    GLN   7           H        GLN   7 -19.902  -2.015  -5.899
   55    HA   GLN   7           HA       GLN   7 -19.035  -2.872  -3.234
   56   1HB   GLN   7          2HB       GLN   7 -21.323  -3.784  -3.726
   57   2HB   GLN   7          1HB       GLN   7 -20.624  -4.651  -5.088
   58   1HG   GLN   7          2HG       GLN   7 -19.240  -5.951  -3.630
   59   2HG   GLN   7          1HG       GLN   7 -19.728  -4.988  -2.236
   60   1HE2  GLN   7          1HE2      GLN   7 -20.723  -7.397  -4.551
   61   2HE2  GLN   7          2HE2      GLN   7 -22.098  -7.961  -3.671
   62    H    LYS   8           H        LYS   8 -16.926  -2.408  -4.078
   63    HA   LYS   8           HA       LYS   8 -15.970  -4.392  -6.035
   64   1HB   LYS   8          2HB       LYS   8 -15.699  -2.117  -6.845
   65   2HB   LYS   8          1HB       LYS   8 -14.870  -1.656  -5.366
   66   1HG   LYS   8          2HG       LYS   8 -13.285  -1.960  -7.163
   67   2HG   LYS   8          1HG       LYS   8 -13.041  -3.188  -5.920
   68   1HD   LYS   8          2HD       LYS   8 -12.898  -4.331  -7.977
   69   2HD   LYS   8          1HD       LYS   8 -14.500  -4.706  -7.338
   70   1HE   LYS   8          2HE       LYS   8 -14.961  -4.204  -9.547
   71   2HE   LYS   8          1HE       LYS   8 -15.257  -2.662  -8.747
   72   1HZ   LYS   8          1HZ       LYS   8 -13.933  -1.940 -10.410
   73   2HZ   LYS   8          2HZ       LYS   8 -13.132  -3.419 -10.591
   74   3HZ   LYS   8          3HZ       LYS   8 -12.702  -2.374  -9.333
   75    H    GLU   9           H        GLU   9 -14.802  -5.978  -5.199
   76    HA   GLU   9           HA       GLU   9 -13.553  -5.616  -2.580
   77   1HB   GLU   9          2HB       GLU   9 -14.014  -8.118  -4.214
   78   2HB   GLU   9          1HB       GLU   9 -13.300  -8.078  -2.608
   79   1HG   GLU   9          2HG       GLU   9 -15.292  -7.628  -1.580
   80   2HG   GLU   9          1HG       GLU   9 -15.980  -6.854  -3.007
   81    H    TYR  10           H        TYR  10 -11.375  -5.852  -2.218
   82    HA   TYR  10           HA       TYR  10  -9.679  -6.009  -4.629
   83   1HB   TYR  10          2HB       TYR  10  -9.236  -4.534  -2.025
   84   2HB   TYR  10          1HB       TYR  10  -8.006  -4.715  -3.273
   85    HD1  TYR  10           1HD      TYR  10 -10.864  -2.840  -2.172
   86    HD2  TYR  10           2HD      TYR  10  -8.456  -3.738  -5.562
   87    HE1  TYR  10           1HE      TYR  10 -11.743  -0.849  -3.316
   88    HE2  TYR  10           2HE      TYR  10  -9.327  -1.748  -6.713
   89    HH   TYR  10           HH       TYR  10 -10.351   0.428  -6.115
   90    H    LYS  11           H        LYS  11  -7.530  -6.984  -4.316
   91    HA   LYS  11           HA       LYS  11  -7.469  -8.932  -2.119
   92   1HB   LYS  11          2HB       LYS  11  -7.049  -9.425  -5.057
   93   2HB   LYS  11          1HB       LYS  11  -6.391 -10.509  -3.839
   94   1HG   LYS  11          2HG       LYS  11  -8.400 -11.502  -4.433
   95   2HG   LYS  11          1HG       LYS  11  -8.790 -10.642  -2.943
   96   1HD   LYS  11          2HD       LYS  11 -10.413  -9.569  -4.019
   97   2HD   LYS  11          1HD       LYS  11  -9.203  -8.828  -5.067
   98   1HE   LYS  11          2HE       LYS  11  -9.568 -11.452  -6.011
   99   2HE   LYS  11          1HE       LYS  11 -11.180 -10.816  -5.686
  100   1HZ   LYS  11          1HZ       LYS  11  -9.456  -8.956  -7.048
  101   2HZ   LYS  11          2HZ       LYS  11 -11.044  -9.416  -7.401
  102   3HZ   LYS  11          3HZ       LYS  11  -9.752 -10.367  -7.933
  103    H    CYS  12           H        CYS  12  -5.366  -9.693  -1.529
  104    HA   CYS  12           HA       CYS  12  -3.441  -7.741  -1.227
  105   1HB   CYS  12          2HB       CYS  12  -3.251 -10.747  -1.149
  106   2HB   CYS  12          1HB       CYS  12  -1.863  -9.721  -0.801
  107    HG   CYS  12           HG       CYS  12  -3.089  -8.835   1.294
  108    H    GLY  13           H        GLY  13  -1.741  -6.990  -2.408
  109   1HA   GLY  13          2HA       GLY  13  -0.032  -7.090  -4.024
  110   2HA   GLY  13          1HA       GLY  13  -0.816  -8.494  -4.729
  111    H    ASP  14           H        ASP  14  -3.352  -6.592  -4.397
  112    HA   ASP  14           HA       ASP  14  -3.383  -5.819  -7.141
  113   1HB   ASP  14          2HB       ASP  14  -5.362  -6.479  -5.582
  114   2HB   ASP  14          1HB       ASP  14  -5.337  -4.781  -5.111
  115    H    LEU  15           H        LEU  15  -3.246  -3.798  -8.064
  116    HA   LEU  15           HA       LEU  15  -1.927  -1.769  -6.435
  117   1HB   LEU  15          2HB       LEU  15  -2.358  -1.920  -9.419
  118   2HB   LEU  15          1HB       LEU  15  -1.440  -0.676  -8.593
  119    HG   LEU  15           HG       LEU  15  -0.743  -3.603  -8.797
  120   1HD1  LEU  15          1HD1      LEU  15   1.391  -2.154  -9.675
  121   2HD1  LEU  15          2HD1      LEU  15   0.033  -1.181 -10.242
  122   3HD1  LEU  15          3HD1      LEU  15   0.159  -2.877 -10.709
  123   1HD2  LEU  15          1HD2      LEU  15   0.329  -3.359  -6.860
  124   2HD2  LEU  15          2HD2      LEU  15   0.025  -1.623  -6.825
  125   3HD2  LEU  15          3HD2      LEU  15   1.417  -2.255  -7.703
  126    H    VAL  16           H        VAL  16  -3.061  -0.197  -5.552
  127    HA   VAL  16           HA       VAL  16  -5.304   0.961  -7.025
  128    HB   VAL  16           HB       VAL  16  -6.696   1.011  -4.965
  129   1HG1  VAL  16          1HG1      VAL  16  -7.221  -0.611  -6.637
  130   2HG1  VAL  16          2HG1      VAL  16  -7.335  -1.404  -5.066
  131   3HG1  VAL  16          3HG1      VAL  16  -5.925  -1.676  -6.090
  132   1HG2  VAL  16          1HG2      VAL  16  -5.312   0.716  -3.149
  133   2HG2  VAL  16          2HG2      VAL  16  -4.387  -0.569  -3.925
  134   3HG2  VAL  16          3HG2      VAL  16  -6.008  -0.896  -3.313
  135    H    PHE  17           H        PHE  17  -6.170   2.917  -5.806
  136    HA   PHE  17           HA       PHE  17  -3.895   4.459  -4.729
  137   1HB   PHE  17          2HB       PHE  17  -6.267   5.256  -6.403
  138   2HB   PHE  17          1HB       PHE  17  -5.419   6.447  -5.423
  139    HD1  PHE  17           1HD      PHE  17  -5.655   5.106  -8.586
  140    HD2  PHE  17           2HD      PHE  17  -2.745   6.290  -5.723
  141    HE1  PHE  17           1HE      PHE  17  -4.016   5.403 -10.387
  142    HE2  PHE  17           2HE      PHE  17  -1.094   6.589  -7.518
  143    HZ   PHE  17           HZ       PHE  17  -1.729   6.146  -9.864
  144    H    ALA  18           H        ALA  18  -4.105   5.376  -2.724
  145    HA   ALA  18           HA       ALA  18  -6.673   4.941  -1.355
  146   1HB   ALA  18          1HB       ALA  18  -3.925   4.403  -0.593
  147   2HB   ALA  18          2HB       ALA  18  -5.431   3.799   0.101
  148   3HB   ALA  18          3HB       ALA  18  -4.781   5.355   0.622
  149    H    LYS  19           H        LYS  19  -7.780   6.641  -0.685
  150    HA   LYS  19           HA       LYS  19  -6.592   9.286  -0.912
  151   1HB   LYS  19          2HB       LYS  19  -8.788   8.887  -1.935
  152   2HB   LYS  19          1HB       LYS  19  -9.444   8.448  -0.364
  153   1HG   LYS  19          2HG       LYS  19 -10.049  10.569  -0.149
  154   2HG   LYS  19          1HG       LYS  19  -8.337  10.948   0.054
  155   1HD   LYS  19          2HD       LYS  19  -8.733  10.720  -2.709
  156   2HD   LYS  19          1HD       LYS  19 -10.123  11.626  -2.107
  157   1HE   LYS  19          2HE       LYS  19  -7.985  12.744  -0.761
  158   2HE   LYS  19          1HE       LYS  19  -7.341  12.431  -2.372
  159   1HZ   LYS  19          1HZ       LYS  19  -8.739  14.610  -1.711
  160   2HZ   LYS  19          2HZ       LYS  19  -9.976  13.629  -2.316
  161   3HZ   LYS  19          3HZ       LYS  19  -8.640  13.996  -3.285
  162    H    MET  20           H        MET  20  -5.982  10.491   0.753
  163    HA   MET  20           HA       MET  20  -6.959   9.819   3.442
  164   1HB   MET  20          2HB       MET  20  -4.324   9.379   2.485
  165   2HB   MET  20          1HB       MET  20  -4.245  10.732   3.604
  166   1HG   MET  20          2HG       MET  20  -5.570   9.255   5.207
  167   2HG   MET  20          1HG       MET  20  -5.162   7.928   4.122
  168   1HE   MET  20          1HE       MET  20  -2.138   9.211   3.243
  169   2HE   MET  20          2HE       MET  20  -2.619   7.518   3.344
  170   3HE   MET  20          3HE       MET  20  -1.213   8.090   4.241
  171    H    LYS  21           H        LYS  21  -7.186  11.556   4.847
  172    HA   LYS  21           HA       LYS  21  -7.646  14.084   3.675
  173   1HB   LYS  21          2HB       LYS  21  -7.990  14.862   6.002
  174   2HB   LYS  21          1HB       LYS  21  -8.887  13.396   5.633
  175   1HG   LYS  21          2HG       LYS  21  -7.234  12.061   6.805
  176   2HG   LYS  21          1HG       LYS  21  -6.276  13.506   7.129
  177   1HD   LYS  21          2HD       LYS  21  -7.986  14.415   8.528
  178   2HD   LYS  21          1HD       LYS  21  -9.122  13.151   8.053
  179   1HE   LYS  21          2HE       LYS  21  -7.277  11.558   9.012
  180   2HE   LYS  21          1HE       LYS  21  -6.771  13.004   9.885
  181   1HZ   LYS  21          1HZ       LYS  21  -8.702  13.062  11.093
  182   2HZ   LYS  21          2HZ       LYS  21  -8.496  11.392  10.925
  183   3HZ   LYS  21          3HZ       LYS  21  -9.600  12.210   9.938
  184    H    GLY  22           H        GLY  22  -6.252  15.651   3.190
  185   1HA   GLY  22          2HA       GLY  22  -4.518  17.181   3.804
  186   2HA   GLY  22          1HA       GLY  22  -3.804  15.921   4.797
  187    H    TYR  23           H        TYR  23  -4.541  14.233   2.180
  188    HA   TYR  23           HA       TYR  23  -2.384  15.131   0.443
  189   1HB   TYR  23          2HB       TYR  23  -2.288  12.250   1.241
  190   2HB   TYR  23          1HB       TYR  23  -0.997  13.290   0.652
  191    HD1  TYR  23           1HD      TYR  23   0.323  14.610   2.171
  192    HD2  TYR  23           2HD      TYR  23  -2.956  12.310   3.608
  193    HE1  TYR  23           1HE      TYR  23   1.112  14.935   4.478
  194    HE2  TYR  23           2HE      TYR  23  -2.177  12.630   5.918
  195    HH   TYR  23           HH       TYR  23  -0.010  13.133   7.078
  196    HA   PRO  24           HA       PRO  24  -5.206  13.526  -2.556
  197   1HB   PRO  24          2HB       PRO  24  -3.611  13.404  -4.723
  198   2HB   PRO  24          1HB       PRO  24  -4.143  14.942  -4.031
  199   1HG   PRO  24          2HG       PRO  24  -1.529  13.521  -3.709
  200   2HG   PRO  24          1HG       PRO  24  -1.842  15.247  -3.961
  201   1HD   PRO  24          2HD       PRO  24  -1.300  14.153  -1.516
  202   2HD   PRO  24          1HD       PRO  24  -2.276  15.618  -1.738
  203    H    HIS  25           H        HIS  25  -5.329  11.773  -4.294
  204    HA   HIS  25           HA       HIS  25  -5.095   9.254  -3.216
  205   1HB   HIS  25          2HB       HIS  25  -4.930   9.974  -6.154
  206   2HB   HIS  25          1HB       HIS  25  -5.366   8.399  -5.500
  207    HD1  HIS  25           1HD      HIS  25  -6.679  11.916  -5.817
  208    HD2  HIS  25           2HD      HIS  25  -8.009   8.130  -4.737
  209    HE1  HIS  25           1HE      HIS  25  -9.178  12.113  -5.618
  210    HE2  HIS  25           2HE      HIS  25  -9.967   9.797  -5.020
  211    H    TRP  26           H        TRP  26  -3.282   8.274  -2.498
  212    HA   TRP  26           HA       TRP  26  -0.729   8.762  -3.857
  213   1HB   TRP  26          2HB       TRP  26  -1.245   8.866  -1.253
  214   2HB   TRP  26          1HB       TRP  26  -0.938   7.139  -1.360
  215    HD1  TRP  26           HD       TRP  26   1.593   6.451  -2.301
  216    HE1  TRP  26           1HE      TRP  26   3.839   7.650  -1.894
  217    HE3  TRP  26           3HE      TRP  26  -0.163  11.055  -0.941
  218    HZ2  TRP  26           2HZ      TRP  26   4.736  10.212  -1.100
  219    HZ3  TRP  26           3HZ      TRP  26   1.439  12.815  -0.377
  220    HH2  TRP  26           HH       TRP  26   3.827  12.405  -0.455
  221    HA   PRO  27           HA       PRO  27  -0.932   4.828  -5.986
  222   1HB   PRO  27          2HB       PRO  27   1.834   4.473  -6.113
  223   2HB   PRO  27          1HB       PRO  27   0.858   5.330  -7.308
  224   1HG   PRO  27          2HG       PRO  27   2.495   6.416  -5.063
  225   2HG   PRO  27          1HG       PRO  27   2.248   7.069  -6.694
  226   1HD   PRO  27          2HD       PRO  27   0.999   8.116  -4.569
  227   2HD   PRO  27          1HD       PRO  27   0.188   7.991  -6.145
  228    H    ALA  28           H        ALA  28  -1.444   3.041  -4.886
  229    HA   ALA  28           HA       ALA  28   0.462   2.010  -2.919
  230   1HB   ALA  28          1HB       ALA  28  -1.829   3.407  -2.194
  231   2HB   ALA  28          2HB       ALA  28  -0.806   2.421  -1.148
  232   3HB   ALA  28          3HB       ALA  28  -2.221   1.709  -1.924
  233    H    ARG  29           H        ARG  29  -0.378  -0.148  -2.024
  234    HA   ARG  29           HA       ARG  29  -1.852  -1.712  -4.002
  235   1HB   ARG  29          2HB       ARG  29   0.516  -1.898  -4.641
  236   2HB   ARG  29          1HB       ARG  29   0.915  -2.434  -3.016
  237   1HG   ARG  29          2HG       ARG  29  -0.741  -4.349  -3.470
  238   2HG   ARG  29          1HG       ARG  29  -0.572  -3.890  -5.165
  239   1HD   ARG  29          2HD       ARG  29   1.058  -5.511  -4.933
  240   2HD   ARG  29          1HD       ARG  29   1.974  -4.025  -4.678
  241    HE   ARG  29           HE       ARG  29   1.271  -4.696  -2.175
  242   1HH1  ARG  29          1HH1      ARG  29   2.729  -6.537  -4.760
  243   2HH1  ARG  29          2HH1      ARG  29   3.595  -7.587  -3.690
  244   1HH2  ARG  29          1HH2      ARG  29   2.410  -6.076  -0.769
  245   2HH2  ARG  29          2HH2      ARG  29   3.413  -7.326  -1.425
  246    H    ILE  30           H        ILE  30  -2.604  -3.777  -3.151
  247    HA   ILE  30           HA       ILE  30  -3.255  -3.612  -0.340
  248    HB   ILE  30           HB       ILE  30  -3.850  -5.869  -2.262
  249   1HG1  ILE  30          2HG1      ILE  30  -4.730  -3.704  -3.080
  250   2HG1  ILE  30          1HG1      ILE  30  -6.017  -4.818  -2.625
  251   1HG2  ILE  30          1HG2      ILE  30  -5.345  -5.099   0.231
  252   2HG2  ILE  30          2HG2      ILE  30  -4.027  -6.271   0.229
  253   3HG2  ILE  30          3HG2      ILE  30  -5.485  -6.582  -0.715
  254   1HD1  ILE  30          1HD1      ILE  30  -6.450  -3.625  -0.623
  255   2HD1  ILE  30          2HD1      ILE  30  -6.348  -2.441  -1.926
  256   3HD1  ILE  30          3HD1      ILE  30  -4.994  -2.649  -0.815
  257    H    ASP  31           H        ASP  31  -2.373  -4.819   1.307
  258    HA   ASP  31           HA       ASP  31  -0.307  -6.765   0.550
  259   1HB   ASP  31          2HB       ASP  31   0.546  -4.520   1.407
  260   2HB   ASP  31          1HB       ASP  31  -0.097  -4.995   2.975
  261    H    GLU  32           H        GLU  32  -3.023  -6.065   2.573
  262    HA   GLU  32           HA       GLU  32  -3.136  -8.780   3.445
  263   1HB   GLU  32          2HB       GLU  32  -1.639  -7.057   5.063
  264   2HB   GLU  32          1HB       GLU  32  -3.186  -7.219   5.881
  265   1HG   GLU  32          2HG       GLU  32  -2.516  -9.154   6.704
  266   2HG   GLU  32          1HG       GLU  32  -2.445  -9.804   5.066
  267    H    MET  33           H        MET  33  -5.077  -9.261   4.652
  268    HA   MET  33           HA       MET  33  -7.046  -7.178   4.974
  269   1HB   MET  33          2HB       MET  33  -8.704  -8.333   3.501
  270   2HB   MET  33          1HB       MET  33  -7.370  -7.570   2.646
  271   1HG   MET  33          2HG       MET  33  -6.464 -10.135   3.092
  272   2HG   MET  33          1HG       MET  33  -8.177 -10.353   2.735
  273   1HE   MET  33          1HE       MET  33  -9.055  -8.874  -0.139
  274   2HE   MET  33          2HE       MET  33  -7.867  -7.574  -0.240
  275   3HE   MET  33          3HE       MET  33  -8.701  -7.892   1.281
  276    HA   PRO  34           HA       PRO  34  -8.499 -10.126   7.944
  277   1HB   PRO  34          2HB       PRO  34 -10.751  -8.936   8.713
  278   2HB   PRO  34          1HB       PRO  34  -9.188  -8.150   8.966
  279   1HG   PRO  34          2HG       PRO  34 -11.268  -7.612   6.895
  280   2HG   PRO  34          1HG       PRO  34 -10.223  -6.472   7.762
  281   1HD   PRO  34          2HD       PRO  34  -9.787  -7.475   5.178
  282   2HD   PRO  34          1HD       PRO  34  -8.590  -6.646   6.193
  283    H    GLU  35           H        GLU  35 -10.579 -11.341   8.561
  284    HA   GLU  35           HA       GLU  35 -12.237 -11.946   6.238
  285   1HB   GLU  35          2HB       GLU  35 -12.031 -14.411   6.861
  286   2HB   GLU  35          1HB       GLU  35 -10.664 -13.672   6.039
  287   1HG   GLU  35          2HG       GLU  35  -9.358 -14.399   7.660
  288   2HG   GLU  35          1HG       GLU  35 -10.189 -13.314   8.770
  289    H    ALA  36           H        ALA  36 -11.688 -12.579   9.657
  290    HA   ALA  36           HA       ALA  36 -14.300 -11.799  10.422
  291   1HB   ALA  36          1HB       ALA  36 -13.946 -14.570   9.676
  292   2HB   ALA  36          2HB       ALA  36 -15.421 -13.698  10.091
  293   3HB   ALA  36          3HB       ALA  36 -14.434 -14.417  11.364
  294    H    ALA  37           H        ALA  37 -11.456 -13.721  11.167
  295    HA   ALA  37           HA       ALA  37 -10.988 -12.238  13.580
  296   1HB   ALA  37          1HB       ALA  37 -12.539 -14.515  13.848
  297   2HB   ALA  37          2HB       ALA  37 -11.648 -13.703  15.135
  298   3HB   ALA  37          3HB       ALA  37 -10.916 -15.058  14.276
  299    H    VAL  38           H        VAL  38  -9.050 -11.686  12.565
  300    HA   VAL  38           HA       VAL  38  -6.995 -13.742  12.714
  301    HB   VAL  38           HB       VAL  38  -6.086 -12.928  10.453
  302   1HG1  VAL  38          1HG1      VAL  38  -8.577 -14.624  10.589
  303   2HG1  VAL  38          2HG1      VAL  38  -6.914 -15.175  10.804
  304   3HG1  VAL  38          3HG1      VAL  38  -7.451 -14.580   9.233
  305   1HG2  VAL  38          1HG2      VAL  38  -8.674 -11.567  10.537
  306   2HG2  VAL  38          2HG2      VAL  38  -8.411 -12.495   9.063
  307   3HG2  VAL  38          3HG2      VAL  38  -7.258 -11.250   9.538
  308    H    LYS  39           H        LYS  39  -7.799 -10.339  12.142
  309    HA   LYS  39           HA       LYS  39  -5.714  -9.486  13.903
  310   1HB   LYS  39          2HB       LYS  39  -4.622  -8.020  12.112
  311   2HB   LYS  39          1HB       LYS  39  -4.222  -9.731  12.102
  312   1HG   LYS  39          2HG       LYS  39  -6.206  -9.862  10.392
  313   2HG   LYS  39          1HG       LYS  39  -5.843  -8.149  10.174
  314   1HD   LYS  39          2HD       LYS  39  -4.289  -8.819   8.712
  315   2HD   LYS  39          1HD       LYS  39  -3.353  -9.330  10.117
  316   1HE   LYS  39          2HE       LYS  39  -4.611 -11.536   9.949
  317   2HE   LYS  39          1HE       LYS  39  -5.143 -10.987   8.361
  318   1HZ   LYS  39          1HZ       LYS  39  -2.713 -12.191   9.054
  319   2HZ   LYS  39          2HZ       LYS  39  -2.375 -10.619   8.530
  320   3HZ   LYS  39          3HZ       LYS  39  -3.230 -11.677   7.526
  321    H    SER  40           H        SER  40  -6.077  -7.447  14.685
  322    HA   SER  40           HA       SER  40  -8.634  -6.324  14.354
  323   1HB   SER  40          2HB       SER  40  -6.244  -4.818  15.413
  324   2HB   SER  40          1HB       SER  40  -7.939  -4.632  15.866
  325    HG   SER  40           HG       SER  40  -6.135  -6.689  16.536
  326    H    THR  41           H        THR  41  -9.346  -5.388  12.560
  327    HA   THR  41           HA       THR  41  -7.649  -3.371  11.279
  328    HB   THR  41           HB       THR  41  -8.746  -4.247   9.076
  329    HG1  THR  41           1HG      THR  41 -10.062  -5.809  10.051
  330   1HG2  THR  41          1HG2      THR  41  -6.937  -6.093   8.952
  331   2HG2  THR  41          2HG2      THR  41  -6.414  -5.432  10.500
  332   3HG2  THR  41          3HG2      THR  41  -6.456  -4.401   9.069
  333    H    ALA  42           H        ALA  42 -10.338  -3.733  12.944
  334    HA   ALA  42           HA       ALA  42 -12.471  -2.865  12.940
  335   1HB   ALA  42          1HB       ALA  42 -10.827  -1.021  13.531
  336   2HB   ALA  42          2HB       ALA  42 -12.439  -0.516  13.027
  337   3HB   ALA  42          3HB       ALA  42 -11.089  -0.410  11.897
  338    H    ASN  43           H        ASN  43 -12.127  -4.303  10.586
  339    HA   ASN  43           HA       ASN  43 -13.117  -4.638   8.575
  340   1HB   ASN  43          2HB       ASN  43 -15.034  -3.451   9.939
  341   2HB   ASN  43          1HB       ASN  43 -14.721  -2.130   8.817
  342   1HD2  ASN  43          1HD2      ASN  43 -16.011  -5.294   9.222
  343   2HD2  ASN  43          2HD2      ASN  43 -16.687  -5.455   7.640
  344    H    LYS  44           H        LYS  44 -10.688  -3.494   8.466
  345    HA   LYS  44           HA       LYS  44 -10.938  -1.790   6.098
  346   1HB   LYS  44          2HB       LYS  44  -8.858  -1.161   8.168
  347   2HB   LYS  44          1HB       LYS  44  -9.456  -0.147   6.862
  348   1HG   LYS  44          2HG       LYS  44 -11.620  -0.805   8.616
  349   2HG   LYS  44          1HG       LYS  44 -10.266  -0.173   9.554
  350   1HD   LYS  44          2HD       LYS  44 -11.003   1.256   7.056
  351   2HD   LYS  44          1HD       LYS  44 -12.082   1.418   8.445
  352   1HE   LYS  44          2HE       LYS  44  -9.589   1.765   9.553
  353   2HE   LYS  44          1HE       LYS  44  -9.432   2.548   7.982
  354   1HZ   LYS  44          1HZ       LYS  44 -11.842   3.414   8.905
  355   2HZ   LYS  44          2HZ       LYS  44 -10.395   4.288   8.951
  356   3HZ   LYS  44          3HZ       LYS  44 -10.885   3.394  10.300
  357    H    TYR  45           H        TYR  45  -9.006  -1.712   4.789
  358    HA   TYR  45           HA       TYR  45  -7.540  -4.255   4.887
  359   1HB   TYR  45          2HB       TYR  45  -7.754  -2.205   2.664
  360   2HB   TYR  45          1HB       TYR  45  -6.955  -3.770   2.549
  361    HD1  TYR  45           1HD      TYR  45  -8.190  -5.739   2.093
  362    HD2  TYR  45           2HD      TYR  45 -10.238  -2.120   2.991
  363    HE1  TYR  45           1HE      TYR  45 -10.313  -6.777   1.414
  364    HE2  TYR  45           2HE      TYR  45 -12.364  -3.149   2.313
  365    HH   TYR  45           HH       TYR  45 -12.768  -6.439   1.906
  366    H    GLN  46           H        GLN  46  -5.240  -4.255   4.379
  367    HA   GLN  46           HA       GLN  46  -3.872  -1.962   5.596
  368   1HB   GLN  46          2HB       GLN  46  -3.566  -4.659   6.021
  369   2HB   GLN  46          1HB       GLN  46  -2.269  -4.327   4.881
  370   1HG   GLN  46          2HG       GLN  46  -1.807  -2.322   6.533
  371   2HG   GLN  46          1HG       GLN  46  -2.637  -3.386   7.670
  372   1HE2  GLN  46          1HE2      GLN  46   0.064  -2.587   7.855
  373   2HE2  GLN  46          2HE2      GLN  46   1.048  -3.998   7.699
  374    H    VAL  47           H        VAL  47  -3.309  -0.474   4.164
  375    HA   VAL  47           HA       VAL  47  -2.531  -1.291   1.467
  376    HB   VAL  47           HB       VAL  47  -3.230   1.457   2.504
  377   1HG1  VAL  47          1HG1      VAL  47  -3.590   1.267  -0.281
  378   2HG1  VAL  47          2HG1      VAL  47  -1.998   0.597   0.073
  379   3HG1  VAL  47          3HG1      VAL  47  -2.402   2.232   0.599
  380   1HG2  VAL  47          1HG2      VAL  47  -5.397   1.114   1.985
  381   2HG2  VAL  47          2HG2      VAL  47  -4.974  -0.579   2.243
  382   3HG2  VAL  47          3HG2      VAL  47  -5.015   0.081   0.607
  383    H    PHE  48           H        PHE  48  -0.641  -0.759   0.540
  384    HA   PHE  48           HA       PHE  48   1.470   0.280   2.310
  385   1HB   PHE  48          2HB       PHE  48   1.836  -1.989   1.401
  386   2HB   PHE  48          1HB       PHE  48   1.701  -1.352  -0.234
  387    HD1  PHE  48           1HD      PHE  48   3.688  -1.121  -1.339
  388    HD2  PHE  48           2HD      PHE  48   3.600  -0.502   2.872
  389    HE1  PHE  48           1HE      PHE  48   6.107  -0.661  -1.358
  390    HE2  PHE  48           2HE      PHE  48   6.018  -0.041   2.858
  391    HZ   PHE  48           HZ       PHE  48   7.271  -0.119   0.742
  392    H    PHE  49           H        PHE  49   2.143   2.293   1.928
  393    HA   PHE  49           HA       PHE  49   1.418   3.601  -0.584
  394   1HB   PHE  49          2HB       PHE  49   2.521   4.729   1.999
  395   2HB   PHE  49          1HB       PHE  49   2.114   5.687   0.578
  396    HD1  PHE  49           1HD      PHE  49  -0.332   5.397  -0.308
  397    HD2  PHE  49           2HD      PHE  49   0.938   4.419   3.634
  398    HE1  PHE  49           1HE      PHE  49  -2.656   5.557   0.476
  399    HE2  PHE  49           2HE      PHE  49  -1.384   4.577   4.420
  400    HZ   PHE  49           HZ       PHE  49  -3.185   5.142   2.844
  401    H    PHE  50           H        PHE  50   2.863   3.412  -2.183
  402    HA   PHE  50           HA       PHE  50   5.552   2.695  -1.849
  403   1HB   PHE  50          2HB       PHE  50   4.034   3.914  -4.149
  404   2HB   PHE  50          1HB       PHE  50   5.758   3.566  -4.261
  405    HD1  PHE  50           1HD      PHE  50   2.553   2.294  -4.827
  406    HD2  PHE  50           2HD      PHE  50   6.431   1.133  -3.512
  407    HE1  PHE  50           1HE      PHE  50   2.041  -0.048  -5.389
  408    HE2  PHE  50           2HE      PHE  50   5.927  -1.206  -4.077
  409    HZ   PHE  50           HZ       PHE  50   3.730  -1.799  -5.016
  410    H    GLY  51           H        GLY  51   7.311   4.181  -3.009
  411   1HA   GLY  51          2HA       GLY  51   8.597   6.092  -2.913
  412   2HA   GLY  51          1HA       GLY  51   7.133   6.987  -2.524
  413    H    THR  52           H        THR  52   6.285   6.383  -0.225
  414    HA   THR  52           HA       THR  52   8.489   6.910   1.610
  415    HB   THR  52           HB       THR  52   6.742   7.488   3.220
  416    HG1  THR  52           1HG      THR  52   4.941   6.706   1.174
  417   1HG2  THR  52          1HG2      THR  52   6.574   8.711   0.508
  418   2HG2  THR  52          2HG2      THR  52   7.200   9.388   2.011
  419   3HG2  THR  52          3HG2      THR  52   5.460   9.216   1.778
  420    H    HIS  53           H        HIS  53   6.351   4.374   0.672
  421    HA   HIS  53           HA       HIS  53   6.136   2.206   1.328
  422   1HB   HIS  53          2HB       HIS  53   8.699   2.783   2.837
  423   2HB   HIS  53          1HB       HIS  53   8.012   1.181   2.587
  424    HD1  HIS  53           1HD      HIS  53  10.811   2.504   1.491
  425    HD2  HIS  53           2HD      HIS  53   7.390   1.532  -0.656
  426    HE1  HIS  53           1HE      HIS  53  11.571   2.215  -0.889
  427    HE2  HIS  53           2HE      HIS  53   9.505   1.510  -2.146
  428    H    GLU  54           H        GLU  54   4.786   4.252   2.739
  429    HA   GLU  54           HA       GLU  54   4.887   3.491   5.552
  430   1HB   GLU  54          2HB       GLU  54   3.136   5.510   4.135
  431   2HB   GLU  54          1HB       GLU  54   3.237   5.284   5.876
  432   1HG   GLU  54          2HG       GLU  54   5.493   6.052   5.920
  433   2HG   GLU  54          1HG       GLU  54   5.580   6.068   4.158
  434    H    THR  55           H        THR  55   2.990   2.766   6.706
  435    HA   THR  55           HA       THR  55   1.060   1.392   4.967
  436    HB   THR  55           HB       THR  55   1.019  -0.163   7.177
  437    HG1  THR  55           1HG      THR  55   3.161  -0.459   7.847
  438   1HG2  THR  55          1HG2      THR  55   2.171  -0.383   4.558
  439   2HG2  THR  55          2HG2      THR  55   1.433  -1.622   5.574
  440   3HG2  THR  55          3HG2      THR  55   3.146  -1.245   5.747
  441    H    ALA  56           H        ALA  56  -1.024   1.407   5.490
  442    HA   ALA  56           HA       ALA  56  -1.932   2.444   8.035
  443   1HB   ALA  56          1HB       ALA  56  -1.375   4.363   6.336
  444   2HB   ALA  56          2HB       ALA  56  -2.813   4.443   7.358
  445   3HB   ALA  56          3HB       ALA  56  -2.953   3.935   5.673
  446    H    PHE  57           H        PHE  57  -4.376   2.522   8.100
  447    HA   PHE  57           HA       PHE  57  -5.437   0.312   6.475
  448   1HB   PHE  57          2HB       PHE  57  -6.228   1.216   9.248
  449   2HB   PHE  57          1HB       PHE  57  -7.015  -0.077   8.347
  450    HD1  PHE  57           1HD      PHE  57  -3.637   0.958   9.520
  451    HD2  PHE  57           2HD      PHE  57  -6.310  -2.243   8.671
  452    HE1  PHE  57           1HE      PHE  57  -1.979  -0.644  10.376
  453    HE2  PHE  57           2HE      PHE  57  -4.655  -3.852   9.532
  454    HZ   PHE  57           HZ       PHE  57  -2.488  -3.054  10.384
  455    H    LEU  58           H        LEU  58  -7.057   0.726   5.130
  456    HA   LEU  58           HA       LEU  58  -8.824   2.991   5.671
  457   1HB   LEU  58          2HB       LEU  58  -7.243   2.580   3.142
  458   2HB   LEU  58          1HB       LEU  58  -8.667   3.600   3.213
  459    HG   LEU  58           HG       LEU  58  -6.354   4.073   5.065
  460   1HD1  LEU  58          1HD1      LEU  58  -5.137   5.212   3.525
  461   2HD1  LEU  58          2HD1      LEU  58  -6.551   5.639   2.560
  462   3HD1  LEU  58          3HD1      LEU  58  -5.866   4.018   2.451
  463   1HD2  LEU  58          1HD2      LEU  58  -8.190   6.111   3.871
  464   2HD2  LEU  58          2HD2      LEU  58  -7.284   6.169   5.384
  465   3HD2  LEU  58          3HD2      LEU  58  -8.708   5.138   5.248
  466    H    GLY  59           H        GLY  59 -10.750   2.988   4.221
  467   1HA   GLY  59          2HA       GLY  59 -11.688   0.238   3.927
  468   2HA   GLY  59          1HA       GLY  59 -12.687   1.686   3.909
  469    HA   PRO  60           HA       PRO  60 -11.764   0.074  -0.471
  470   1HB   PRO  60          2HB       PRO  60 -14.313  -0.649  -1.116
  471   2HB   PRO  60          1HB       PRO  60 -13.137  -1.764  -0.413
  472   1HG   PRO  60          2HG       PRO  60 -15.349  -0.254   0.922
  473   2HG   PRO  60          1HG       PRO  60 -14.838  -1.936   1.159
  474   1HD   PRO  60          2HD       PRO  60 -14.144   0.042   2.866
  475   2HD   PRO  60          1HD       PRO  60 -13.082  -1.340   2.534
  476    H    LYS  61           H        LYS  61 -14.042   2.181   1.088
  477    HA   LYS  61           HA       LYS  61 -15.069   3.458  -1.225
  478   1HB   LYS  61          2HB       LYS  61 -14.803   4.529   1.591
  479   2HB   LYS  61          1HB       LYS  61 -15.810   5.214   0.323
  480   1HG   LYS  61          2HG       LYS  61 -17.303   3.416   0.377
  481   2HG   LYS  61          1HG       LYS  61 -16.170   2.389   1.258
  482   1HD   LYS  61          2HD       LYS  61 -16.571   3.450   3.273
  483   2HD   LYS  61          1HD       LYS  61 -17.136   4.932   2.497
  484   1HE   LYS  61          2HE       LYS  61 -18.899   2.914   1.671
  485   2HE   LYS  61          1HE       LYS  61 -18.639   2.647   3.394
  486   1HZ   LYS  61          1HZ       LYS  61 -19.225   5.357   2.405
  487   2HZ   LYS  61          2HZ       LYS  61 -19.517   4.690   3.931
  488   3HZ   LYS  61          3HZ       LYS  61 -20.488   4.252   2.618
  489    H    ASP  62           H        ASP  62 -12.162   3.790   0.636
  490    HA   ASP  62           HA       ASP  62 -11.418   6.223  -0.820
  491   1HB   ASP  62          2HB       ASP  62 -10.050   4.876   1.520
  492   2HB   ASP  62          1HB       ASP  62  -9.573   6.407   0.794
  493    H    LEU  63           H        LEU  63 -11.444   3.269  -1.725
  494    HA   LEU  63           HA       LEU  63  -8.653   3.161  -2.652
  495   1HB   LEU  63          2HB       LEU  63 -10.549   1.111  -1.714
  496   2HB   LEU  63          1HB       LEU  63  -9.665   0.676  -3.163
  497    HG   LEU  63           HG       LEU  63  -7.573   0.830  -2.050
  498   1HD1  LEU  63          1HD1      LEU  63  -7.552   1.444   0.430
  499   2HD1  LEU  63          2HD1      LEU  63  -9.127   2.180   0.128
  500   3HD1  LEU  63          3HD1      LEU  63  -7.703   2.757  -0.738
  501   1HD2  LEU  63          1HD2      LEU  63  -9.727  -0.634  -0.608
  502   2HD2  LEU  63          2HD2      LEU  63  -8.097  -0.618   0.065
  503   3HD2  LEU  63          3HD2      LEU  63  -8.376  -1.260  -1.554
  504    H    PHE  64           H        PHE  64  -8.253   3.083  -4.810
  505    HA   PHE  64           HA       PHE  64 -10.523   2.773  -6.647
  506   1HB   PHE  64          2HB       PHE  64  -8.429   4.922  -7.010
  507   2HB   PHE  64          1HB       PHE  64  -9.918   4.705  -7.922
  508    HD1  PHE  64           1HD      PHE  64 -11.667   6.098  -7.437
  509    HD2  PHE  64           2HD      PHE  64  -8.826   5.232  -4.389
  510    HE1  PHE  64           1HE      PHE  64 -12.829   7.647  -5.918
  511    HE2  PHE  64           2HE      PHE  64  -9.984   6.777  -2.865
  512    HZ   PHE  64           HZ       PHE  64 -11.989   7.986  -3.628
  513    HA   PRO  65           HA       PRO  65  -7.743   0.247  -8.959
  514   1HB   PRO  65          2HB       PRO  65  -8.825   1.214 -11.494
  515   2HB   PRO  65          1HB       PRO  65  -8.998  -0.371 -10.742
  516   1HG   PRO  65          2HG       PRO  65 -11.058   1.378 -10.965
  517   2HG   PRO  65          1HG       PRO  65 -10.920   0.211  -9.637
  518   1HD   PRO  65          2HD       PRO  65 -10.294   3.139  -9.667
  519   2HD   PRO  65          1HD       PRO  65 -11.068   2.162  -8.401
  520    H    TYR  66           H        TYR  66  -5.675   0.847  -8.981
  521    HA   TYR  66           HA       TYR  66  -4.564   3.278  -9.514
  522   1HB   TYR  66          2HB       TYR  66  -3.288   1.505  -8.501
  523   2HB   TYR  66          1HB       TYR  66  -3.376   0.539  -9.971
  524    HD1  TYR  66           1HD      TYR  66  -1.774   0.790 -11.676
  525    HD2  TYR  66           2HD      TYR  66  -1.978   3.669  -8.548
  526    HE1  TYR  66           1HE      TYR  66   0.330   1.785 -12.466
  527    HE2  TYR  66           2HE      TYR  66   0.131   4.670  -9.328
  528    HH   TYR  66           HH       TYR  66   1.502   4.799 -11.271
  529    H    GLU  67           H        GLU  67  -4.640   0.601 -11.873
  530    HA   GLU  67           HA       GLU  67  -3.539   1.922 -14.029
  531   1HB   GLU  67          2HB       GLU  67  -5.295  -0.412 -13.673
  532   2HB   GLU  67          1HB       GLU  67  -5.389   0.330 -15.264
  533   1HG   GLU  67          2HG       GLU  67  -2.820   0.212 -15.237
  534   2HG   GLU  67          1HG       GLU  67  -3.038  -0.933 -13.914
  535    H    GLU  68           H        GLU  68  -6.886   1.954 -12.951
  536    HA   GLU  68           HA       GLU  68  -7.909   3.411 -15.159
  537   1HB   GLU  68          2HB       GLU  68  -8.961   2.734 -12.440
  538   2HB   GLU  68          1HB       GLU  68  -9.829   3.859 -13.471
  539   1HG   GLU  68          2HG       GLU  68  -9.202   1.615 -15.056
  540   2HG   GLU  68          1HG       GLU  68  -9.826   1.011 -13.521
  541    H    SER  69           H        SER  69  -6.743   4.390 -11.961
  542    HA   SER  69           HA       SER  69  -7.320   7.182 -12.677
  543   1HB   SER  69          2HB       SER  69  -6.291   6.649  -9.975
  544   2HB   SER  69          1HB       SER  69  -7.684   7.600 -10.490
  545    HG   SER  69           HG       SER  69  -8.676   5.456 -10.916
  546    H    LYS  70           H        LYS  70  -4.851   5.229 -13.244
  547    HA   LYS  70           HA       LYS  70  -2.593   6.363 -12.096
  548   1HB   LYS  70          2HB       LYS  70  -3.060   4.359 -13.874
  549   2HB   LYS  70          1HB       LYS  70  -2.307   5.562 -14.913
  550   1HG   LYS  70          2HG       LYS  70  -0.398   5.671 -13.382
  551   2HG   LYS  70          1HG       LYS  70  -1.159   4.440 -12.373
  552   1HD   LYS  70          2HD       LYS  70   0.444   3.337 -13.749
  553   2HD   LYS  70          1HD       LYS  70  -1.155   2.928 -14.374
  554   1HE   LYS  70          2HE       LYS  70  -0.659   3.790 -16.361
  555   2HE   LYS  70          1HE       LYS  70  -0.188   5.323 -15.631
  556   1HZ   LYS  70          1HZ       LYS  70   1.893   4.848 -16.161
  557   2HZ   LYS  70          2HZ       LYS  70   1.454   3.323 -16.746
  558   3HZ   LYS  70          3HZ       LYS  70   1.859   3.518 -15.116
  559    H    GLU  71           H        GLU  71  -4.154   7.202 -15.182
  560    HA   GLU  71           HA       GLU  71  -2.378   9.357 -15.733
  561   1HB   GLU  71          2HB       GLU  71  -5.115   8.752 -16.861
  562   2HB   GLU  71          1HB       GLU  71  -3.996   9.943 -17.510
  563   1HG   GLU  71          2HG       GLU  71  -2.363   8.106 -17.890
  564   2HG   GLU  71          1HG       GLU  71  -3.610   6.962 -17.396
  565    H    LYS  72           H        LYS  72  -5.154   9.051 -13.739
  566    HA   LYS  72           HA       LYS  72  -5.852  11.851 -13.770
  567   1HB   LYS  72          2HB       LYS  72  -7.306   9.672 -13.328
  568   2HB   LYS  72          1HB       LYS  72  -6.819   9.980 -11.668
  569   1HG   LYS  72          2HG       LYS  72  -8.203  11.951 -13.454
  570   2HG   LYS  72          1HG       LYS  72  -8.986  10.954 -12.232
  571   1HD   LYS  72          2HD       LYS  72  -8.605  12.608 -10.787
  572   2HD   LYS  72          1HD       LYS  72  -6.897  12.182 -10.880
  573   1HE   LYS  72          2HE       LYS  72  -6.459  14.165 -11.774
  574   2HE   LYS  72          1HE       LYS  72  -7.498  13.772 -13.142
  575   1HZ   LYS  72          1HZ       LYS  72  -8.689  15.507 -12.433
  576   2HZ   LYS  72          2HZ       LYS  72  -7.998  15.501 -10.889
  577   3HZ   LYS  72          3HZ       LYS  72  -9.282  14.456 -11.245
  578    H    PHE  73           H        PHE  73  -4.598   9.571 -11.383
  579    HA   PHE  73           HA       PHE  73  -3.795  11.815  -9.667
  580   1HB   PHE  73          2HB       PHE  73  -3.727   8.885  -8.957
  581   2HB   PHE  73          1HB       PHE  73  -3.686  10.263  -7.864
  582    HD1  PHE  73           1HD      PHE  73  -5.610   7.734  -8.199
  583    HD2  PHE  73           2HD      PHE  73  -5.891  11.889  -9.077
  584    HE1  PHE  73           1HE      PHE  73  -8.056   7.615  -7.959
  585    HE2  PHE  73           2HE      PHE  73  -8.337  11.777  -8.838
  586    HZ   PHE  73           HZ       PHE  73  -9.423   9.639  -8.278
  587    H    GLY  74           H        GLY  74  -2.379   9.720 -11.928
  588   1HA   GLY  74          2HA       GLY  74   0.150   9.412 -10.604
  589   2HA   GLY  74          1HA       GLY  74  -0.206   9.017 -12.274
  590    H    LYS  75           H        LYS  75   0.332  11.809 -10.123
  591    HA   LYS  75           HA       LYS  75   2.082  12.966 -12.119
  592   1HB   LYS  75          2HB       LYS  75  -0.512  14.215 -11.261
  593   2HB   LYS  75          1HB       LYS  75   0.842  15.215 -11.770
  594   1HG   LYS  75          2HG       LYS  75  -0.372  13.032 -13.449
  595   2HG   LYS  75          1HG       LYS  75  -0.805  14.740 -13.564
  596   1HD   LYS  75          2HD       LYS  75   1.717  15.134 -13.911
  597   2HD   LYS  75          1HD       LYS  75   1.794  13.402 -14.244
  598   1HE   LYS  75          2HE       LYS  75   0.239  13.630 -16.063
  599   2HE   LYS  75          1HE       LYS  75  -0.037  15.326 -15.671
  600   1HZ   LYS  75          1HZ       LYS  75   1.503  15.627 -17.263
  601   2HZ   LYS  75          2HZ       LYS  75   2.179  14.087 -17.082
  602   3HZ   LYS  75          3HZ       LYS  75   2.598  15.325 -16.009
  603    HA   PRO  76           HA       PRO  76   4.597  14.227  -8.742
  604   1HB   PRO  76          2HB       PRO  76   4.395  16.975  -9.913
  605   2HB   PRO  76          1HB       PRO  76   5.826  16.089  -9.372
  606   1HG   PRO  76          2HG       PRO  76   5.280  16.270 -11.958
  607   2HG   PRO  76          1HG       PRO  76   5.875  14.749 -11.268
  608   1HD   PRO  76          2HD       PRO  76   3.124  15.477 -12.156
  609   2HD   PRO  76          1HD       PRO  76   3.953  13.909 -12.215
  610    H    ASN  77           H        ASN  77   4.257  14.861  -6.706
  611    HA   ASN  77           HA       ASN  77   1.832  16.443  -6.154
  612   1HB   ASN  77          2HB       ASN  77   1.906  14.081  -5.306
  613   2HB   ASN  77          1HB       ASN  77   3.256  14.552  -4.278
  614   1HD2  ASN  77          1HD2      ASN  77   0.226  16.199  -5.099
  615   2HD2  ASN  77          2HD2      ASN  77  -0.315  16.372  -3.468
  616    H    LYS  78           H        LYS  78   1.887  17.739  -4.140
  617    HA   LYS  78           HA       LYS  78   4.346  19.284  -4.044
  618   1HB   LYS  78          2HB       LYS  78   1.641  19.937  -3.894
  619   2HB   LYS  78          1HB       LYS  78   2.232  20.165  -2.254
  620   1HG   LYS  78          2HG       LYS  78   2.494  22.244  -3.271
  621   2HG   LYS  78          1HG       LYS  78   4.109  21.535  -3.300
  622   1HD   LYS  78          2HD       LYS  78   4.166  21.488  -5.540
  623   2HD   LYS  78          1HD       LYS  78   2.515  20.876  -5.655
  624   1HE   LYS  78          2HE       LYS  78   2.371  23.558  -4.755
  625   2HE   LYS  78          1HE       LYS  78   3.486  23.518  -6.120
  626   1HZ   LYS  78          1HZ       LYS  78   1.843  23.063  -7.549
  627   2HZ   LYS  78          2HZ       LYS  78   0.820  23.661  -6.343
  628   3HZ   LYS  78          3HZ       LYS  78   1.059  21.993  -6.497
  629    H    ARG  79           H        ARG  79   2.698  16.881  -2.220
  630    HA   ARG  79           HA       ARG  79   3.755  17.497   0.346
  631   1HB   ARG  79          2HB       ARG  79   2.840  14.812  -0.695
  632   2HB   ARG  79          1HB       ARG  79   3.000  15.285   0.991
  633   1HG   ARG  79          2HG       ARG  79   1.155  16.754  -0.851
  634   2HG   ARG  79          1HG       ARG  79   0.663  15.252  -0.067
  635   1HD   ARG  79          2HD       ARG  79   0.033  16.539   1.647
  636   2HD   ARG  79          1HD       ARG  79   1.752  16.689   2.002
  637    HE   ARG  79           HE       ARG  79   1.272  18.660   0.184
  638   1HH1  ARG  79          1HH1      ARG  79  -0.111  17.796   3.269
  639   2HH1  ARG  79          2HH1      ARG  79  -0.527  19.424   3.681
  640   1HH2  ARG  79          1HH2      ARG  79   0.727  20.806   0.726
  641   2HH2  ARG  79          2HH2      ARG  79  -0.053  21.133   2.237
  642    H    LYS  80           H        LYS  80   5.143  16.320  -2.468
  643    HA   LYS  80           HA       LYS  80   7.190  15.536  -2.997
  644   1HB   LYS  80          2HB       LYS  80   7.754  16.341  -0.145
  645   2HB   LYS  80          1HB       LYS  80   8.989  15.684  -1.209
  646   1HG   LYS  80          2HG       LYS  80   7.525  18.289  -1.417
  647   2HG   LYS  80          1HG       LYS  80   9.264  17.993  -1.358
  648   1HD   LYS  80          2HD       LYS  80   9.062  16.867  -3.588
  649   2HD   LYS  80          1HD       LYS  80   7.381  17.402  -3.645
  650   1HE   LYS  80          2HE       LYS  80   7.979  19.652  -3.791
  651   2HE   LYS  80          1HE       LYS  80   9.607  19.356  -3.180
  652   1HZ   LYS  80          1HZ       LYS  80   8.548  19.037  -5.881
  653   2HZ   LYS  80          2HZ       LYS  80   9.705  17.911  -5.376
  654   3HZ   LYS  80          3HZ       LYS  80  10.075  19.561  -5.370
  655    H    GLY  81           H        GLY  81   8.318  13.611  -3.015
  656   1HA   GLY  81          2HA       GLY  81   8.851  11.431  -2.301
  657   2HA   GLY  81          1HA       GLY  81   7.709  11.613  -0.976
  658    H    PHE  82           H        PHE  82   5.748  12.685  -3.111
  659    HA   PHE  82           HA       PHE  82   4.237  10.365  -3.453
  660   1HB   PHE  82          2HB       PHE  82   3.247  12.573  -3.580
  661   2HB   PHE  82          1HB       PHE  82   4.216  12.967  -4.996
  662    HD1  PHE  82           1HD      PHE  82   1.223  11.397  -3.766
  663    HD2  PHE  82           2HD      PHE  82   3.781  11.790  -7.140
  664    HE1  PHE  82           1HE      PHE  82  -0.558  10.524  -5.214
  665    HE2  PHE  82           2HE      PHE  82   2.004  10.922  -8.599
  666    HZ   PHE  82           HZ       PHE  82  -0.171  10.281  -7.632
  667    H    SER  83           H        SER  83   6.161  12.143  -5.871
  668    HA   SER  83           HA       SER  83   5.802  10.462  -8.027
  669   1HB   SER  83          2HB       SER  83   8.396  11.283  -8.374
  670   2HB   SER  83          1HB       SER  83   6.969  12.225  -8.801
  671    HG   SER  83           HG       SER  83   7.334  13.527  -7.175
  672    H    GLU  84           H        GLU  84   8.323  10.258  -5.518
  673    HA   GLU  84           HA       GLU  84   9.824   8.170  -6.481
  674   1HB   GLU  84          2HB       GLU  84   9.001   8.529  -3.593
  675   2HB   GLU  84          1HB       GLU  84  10.418   7.666  -4.176
  676   1HG   GLU  84          2HG       GLU  84  10.465  10.313  -5.225
  677   2HG   GLU  84          1HG       GLU  84  10.178  10.391  -3.487
  678    H    GLY  85           H        GLY  85   6.627   8.094  -5.072
  679   1HA   GLY  85          2HA       GLY  85   6.532   5.256  -4.729
  680   2HA   GLY  85          1HA       GLY  85   5.163   6.358  -4.673
  681    H    LEU  86           H        LEU  86   5.738   7.478  -7.314
  682    HA   LEU  86           HA       LEU  86   4.163   5.758  -8.880
  683   1HB   LEU  86          2HB       LEU  86   5.914   8.108  -9.548
  684   2HB   LEU  86          1HB       LEU  86   5.086   7.211 -10.805
  685    HG   LEU  86           HG       LEU  86   3.656   8.500  -8.484
  686   1HD1  LEU  86          1HD1      LEU  86   4.571  10.333  -9.598
  687   2HD1  LEU  86          2HD1      LEU  86   2.967  10.159 -10.310
  688   3HD1  LEU  86          3HD1      LEU  86   4.387   9.582 -11.183
  689   1HD2  LEU  86          1HD2      LEU  86   1.674   8.107  -9.715
  690   2HD2  LEU  86          2HD2      LEU  86   2.577   6.592  -9.737
  691   3HD2  LEU  86          3HD2      LEU  86   2.576   7.638 -11.156
  692    H    TRP  87           H        TRP  87   7.659   6.292  -8.771
  693    HA   TRP  87           HA       TRP  87   8.347   4.600 -10.917
  694   1HB   TRP  87          2HB       TRP  87   9.940   6.209 -10.050
  695   2HB   TRP  87          1HB       TRP  87   9.929   5.433  -8.469
  696    HD1  TRP  87           HD       TRP  87  11.520   5.210 -11.887
  697    HE1  TRP  87           1HE      TRP  87  13.284   3.339 -11.891
  698    HE3  TRP  87           3HE      TRP  87  10.457   3.086  -7.359
  699    HZ2  TRP  87           2HZ      TRP  87  14.110   1.230 -10.199
  700    HZ3  TRP  87           3HZ      TRP  87  11.779   1.145  -6.628
  701    HH2  TRP  87           HH       TRP  87  13.565   0.236  -8.020
  702    H    GLU  88           H        GLU  88   8.120   3.976  -7.412
  703    HA   GLU  88           HA       GLU  88   9.038   1.324  -7.491
  704   1HB   GLU  88          2HB       GLU  88   7.504   2.985  -5.556
  705   2HB   GLU  88          1HB       GLU  88   7.478   1.243  -5.327
  706   1HG   GLU  88          2HG       GLU  88   9.365   1.493  -4.195
  707   2HG   GLU  88          1HG       GLU  88  10.144   1.789  -5.748
  708    H    ILE  89           H        ILE  89   5.680   2.555  -7.435
  709    HA   ILE  89           HA       ILE  89   4.356   0.140  -7.469
  710    HB   ILE  89           HB       ILE  89   3.285   2.348  -7.208
  711   1HG1  ILE  89          2HG1      ILE  89   1.561   1.487  -9.309
  712   2HG1  ILE  89          1HG1      ILE  89   2.281   0.059  -8.569
  713   1HG2  ILE  89          1HG2      ILE  89   4.122   3.772  -8.794
  714   2HG2  ILE  89          2HG2      ILE  89   2.544   3.381  -9.476
  715   3HG2  ILE  89          3HG2      ILE  89   3.992   2.585 -10.093
  716   1HD1  ILE  89          1HD1      ILE  89   1.557   1.721  -6.452
  717   2HD1  ILE  89          2HD1      ILE  89   0.777   0.222  -6.962
  718   3HD1  ILE  89          3HD1      ILE  89   0.207   1.770  -7.587
  719    H    GLU  90           H        GLU  90   6.099   1.686 -10.037
  720    HA   GLU  90           HA       GLU  90   5.012  -0.178 -12.014
  721   1HB   GLU  90          2HB       GLU  90   5.910   2.522 -12.106
  722   2HB   GLU  90          1HB       GLU  90   6.940   1.570 -13.166
  723   1HG   GLU  90          2HG       GLU  90   4.198   0.835 -13.552
  724   2HG   GLU  90          1HG       GLU  90   4.384   2.582 -13.696
  725    H    ASN  91           H        ASN  91   8.149   0.847 -10.686
  726    HA   ASN  91           HA       ASN  91   9.587  -1.123 -12.208
  727   1HB   ASN  91          2HB       ASN  91  10.300   0.993 -10.242
  728   2HB   ASN  91          1HB       ASN  91  11.438  -0.331 -10.469
  729   1HD2  ASN  91          1HD2      ASN  91   9.307   1.330 -12.756
  730   2HD2  ASN  91          2HD2      ASN  91  10.565   1.847 -13.819
  731    H    ASN  92           H        ASN  92   8.343  -0.875  -8.931
  732    HA   ASN  92           HA       ASN  92   8.765  -3.708  -8.565
  733   1HB   ASN  92          2HB       ASN  92  10.920  -2.654  -7.846
  734   2HB   ASN  92          1HB       ASN  92  10.024  -1.779  -6.610
  735   1HD2  ASN  92          1HD2      ASN  92  12.084  -3.405  -5.908
  736   2HD2  ASN  92          2HD2      ASN  92  11.484  -4.803  -5.091
  737    HA   PRO  93           HA       PRO  93   4.937  -2.199  -6.543
  738   1HB   PRO  93          2HB       PRO  93   3.357  -4.226  -7.335
  739   2HB   PRO  93          1HB       PRO  93   3.747  -2.870  -8.402
  740   1HG   PRO  93          2HG       PRO  93   4.935  -5.617  -8.318
  741   2HG   PRO  93          1HG       PRO  93   4.466  -4.642  -9.723
  742   1HD   PRO  93          2HD       PRO  93   7.039  -4.864  -8.828
  743   2HD   PRO  93          1HD       PRO  93   6.422  -3.446  -9.699
  744    H    THR  94           H        THR  94   6.871  -5.009  -6.220
  745    HA   THR  94           HA       THR  94   5.359  -5.899  -3.868
  746    HB   THR  94           HB       THR  94   6.506  -7.994  -4.047
  747    HG1  THR  94           1HG      THR  94   8.086  -6.730  -6.031
  748   1HG2  THR  94          1HG2      THR  94   4.834  -7.117  -6.028
  749   2HG2  THR  94          2HG2      THR  94   5.376  -8.778  -5.791
  750   3HG2  THR  94          3HG2      THR  94   6.222  -7.727  -6.927
  751    H    VAL  95           H        VAL  95   7.510  -3.640  -4.282
  752    HA   VAL  95           HA       VAL  95   9.763  -4.306  -2.762
  753    HB   VAL  95           HB       VAL  95   9.580  -2.281  -4.178
  754   1HG1  VAL  95          1HG1      VAL  95   7.884  -0.871  -3.939
  755   2HG1  VAL  95          2HG1      VAL  95   8.464  -0.449  -2.328
  756   3HG1  VAL  95          3HG1      VAL  95   7.315  -1.770  -2.533
  757   1HG2  VAL  95          1HG2      VAL  95  10.646  -0.708  -2.461
  758   2HG2  VAL  95          2HG2      VAL  95  11.419  -2.268  -2.737
  759   3HG2  VAL  95          3HG2      VAL  95  10.414  -2.022  -1.309
  760    H    LYS  96           H        LYS  96  10.292  -4.027  -0.609
  761    HA   LYS  96           HA       LYS  96   9.991  -4.013   1.646
  762   1HB   LYS  96          2HB       LYS  96   7.679  -2.237   0.880
  763   2HB   LYS  96          1HB       LYS  96   8.137  -2.559   2.546
  764   1HG   LYS  96          2HG       LYS  96   9.974  -1.344   0.495
  765   2HG   LYS  96          1HG       LYS  96   9.004  -0.416   1.641
  766   1HD   LYS  96          2HD       LYS  96  10.182  -1.307   3.497
  767   2HD   LYS  96          1HD       LYS  96  10.964  -2.535   2.497
  768   1HE   LYS  96          2HE       LYS  96  12.688  -1.091   2.490
  769   2HE   LYS  96          1HE       LYS  96  11.756  -0.277   1.235
  770   1HZ   LYS  96          1HZ       LYS  96  10.729   1.052   3.080
  771   2HZ   LYS  96          2HZ       LYS  96  12.368   1.358   2.799
  772   3HZ   LYS  96          3HZ       LYS  96  11.900   0.405   4.116
  773    H    ALA  97           H        ALA  97   9.579  -6.114   2.105
  774    HA   ALA  97           HA       ALA  97   8.420  -7.961   2.759
  775   1HB   ALA  97          1HB       ALA  97   7.313  -6.461   4.306
  776   2HB   ALA  97          2HB       ALA  97   6.156  -7.634   3.676
  777   3HB   ALA  97          3HB       ALA  97   6.162  -5.983   3.058
  778    H    SER  98           H        SER  98   6.998  -9.578   1.965
  779    HA   SER  98           HA       SER  98   5.190  -9.105  -0.176
  780   1HB   SER  98          2HB       SER  98   7.285  -8.811  -1.432
  781   2HB   SER  98          1HB       SER  98   7.828 -10.404  -0.903
  782    HG   SER  98           HG       SER  98   6.929 -10.819  -2.820
  783    H    GLY  99           H        GLY  99   4.739 -11.357  -1.320
  784   1HA   GLY  99          2HA       GLY  99   5.201 -13.816  -0.323
  785   2HA   GLY  99          1HA       GLY  99   4.069 -13.157   0.848
  786    H    TYR 100           H        TYR 100   4.060 -12.504  -2.617
  787    HA   TYR 100           HA       TYR 100   1.480 -13.914  -2.793
  788   1HB   TYR 100          2HB       TYR 100   1.250 -11.471  -3.000
  789   2HB   TYR 100          1HB       TYR 100   2.392 -11.477  -4.339
  790    HD1  TYR 100           1HD      TYR 100   1.751 -12.789  -6.435
  791    HD2  TYR 100           2HD      TYR 100  -1.031 -11.789  -3.377
  792    HE1  TYR 100           1HE      TYR 100  -0.100 -13.136  -8.012
  793    HE2  TYR 100           2HE      TYR 100  -2.889 -12.134  -4.945
  794    HH   TYR 100           HH       TYR 100  -2.790 -13.792  -7.582
  795    H    GLN 101           H        GLN 101   1.300 -15.493  -4.255
  796    HA   GLN 101           HA       GLN 101   2.881 -15.524  -6.663
  797   1HB   GLN 101          2HB       GLN 101   3.819 -17.820  -6.148
  798   2HB   GLN 101          1HB       GLN 101   4.552 -16.479  -5.280
  799   1HG   GLN 101          2HG       GLN 101   3.007 -17.035  -3.366
  800   2HG   GLN 101          1HG       GLN 101   2.609 -18.515  -4.237
  801   1HE2  GLN 101          1HE2      GLN 101   4.648 -17.113  -2.010
  802   2HE2  GLN 101          2HE2      GLN 101   5.890 -18.313  -1.989
  803    H    SER 102           H        SER 102   1.443 -16.078  -8.147
  804    HA   SER 102           HA       SER 102  -0.476 -18.224  -7.517
  805   1HB   SER 102          2HB       SER 102  -2.128 -17.094  -8.928
  806   2HB   SER 102          1HB       SER 102  -1.599 -16.029  -7.626
  807    HG   SER 102           HG       SER 102  -0.071 -15.171  -9.234
  808    H    SER 103           H        SER 103  -1.503 -19.002  -9.725
  809    HA   SER 103           HA       SER 103  -1.190 -20.196 -11.634
  810   1HB   SER 103          2HB       SER 103  -0.571 -17.824 -12.415
  811   2HB   SER 103          1HB       SER 103   1.105 -18.362 -12.307
  812    HG   SER 103           HG       SER 103   0.609 -18.895 -14.326
  813    H    GLN 104           H        GLN 104   0.268 -21.700 -12.728
  814    HA   GLN 104           HA       GLN 104   2.859 -22.197 -11.568
  815   1HB   GLN 104          2HB       GLN 104   0.686 -23.374 -10.307
  816   2HB   GLN 104          1HB       GLN 104   1.289 -24.645 -11.362
  817   1HG   GLN 104          2HG       GLN 104   3.597 -23.747 -10.271
  818   2HG   GLN 104          1HG       GLN 104   2.467 -23.476  -8.946
  819   1HE2  GLN 104          1HE2      GLN 104   3.181 -25.971 -11.371
  820   2HE2  GLN 104          2HE2      GLN 104   3.069 -27.305 -10.279
  821    H    LYS 105           H        LYS 105   0.264 -23.857 -13.370
  822    HA   LYS 105           HA       LYS 105   2.262 -24.513 -15.437
  823   1HB   LYS 105          2HB       LYS 105   0.453 -26.205 -13.988
  824   2HB   LYS 105          1HB       LYS 105   0.025 -26.236 -15.693
  825   1HG   LYS 105          2HG       LYS 105   1.538 -27.960 -15.544
  826   2HG   LYS 105          1HG       LYS 105   2.565 -26.622 -16.060
  827   1HD   LYS 105          2HD       LYS 105   3.755 -26.667 -14.165
  828   2HD   LYS 105          1HD       LYS 105   2.310 -26.805 -13.163
  829   1HE   LYS 105          2HE       LYS 105   2.924 -28.904 -12.749
  830   2HE   LYS 105          1HE       LYS 105   2.505 -29.271 -14.422
  831   1HZ   LYS 105          1HZ       LYS 105   4.922 -29.672 -13.367
  832   2HZ   LYS 105          2HZ       LYS 105   5.140 -28.130 -14.025
  833   3HZ   LYS 105          3HZ       LYS 105   4.651 -29.410 -15.017
  834    H    LYS 106           H        LYS 106   0.869 -25.209 -17.538
  835    HA   LYS 106           HA       LYS 106  -0.344 -22.757 -18.405
  836   1HB   LYS 106          2HB       LYS 106   1.056 -24.708 -19.680
  837   2HB   LYS 106          1HB       LYS 106  -0.587 -25.135 -20.136
  838   1HG   LYS 106          2HG       LYS 106   0.332 -22.313 -20.425
  839   2HG   LYS 106          1HG       LYS 106   0.810 -23.520 -21.620
  840   1HD   LYS 106          2HD       LYS 106  -1.408 -23.933 -22.255
  841   2HD   LYS 106          1HD       LYS 106  -2.057 -23.172 -20.802
  842   1HE   LYS 106          2HE       LYS 106  -0.474 -21.265 -22.216
  843   2HE   LYS 106          1HE       LYS 106  -1.606 -22.013 -23.344
  844   1HZ   LYS 106          1HZ       LYS 106  -2.403 -20.856 -20.729
  845   2HZ   LYS 106          2HZ       LYS 106  -3.427 -21.394 -21.964
  846   3HZ   LYS 106          3HZ       LYS 106  -2.477 -20.013 -22.195
  847    H    SER 107           H        SER 107  -1.494 -26.126 -18.195
  848    HA   SER 107           HA       SER 107  -3.573 -27.013 -17.954
  849   1HB   SER 107          2HB       SER 107  -3.676 -24.476 -16.431
  850   2HB   SER 107          1HB       SER 107  -5.237 -25.185 -16.845
  851    HG   SER 107           HG       SER 107  -4.310 -27.192 -15.948
  852    H    CYS 108           H        CYS 108  -6.027 -26.490 -18.430
  853    HA   CYS 108           HA       CYS 108  -6.135 -24.947 -20.938
  854   1HB   CYS 108          2HB       CYS 108  -7.266 -27.651 -20.274
  855   2HB   CYS 108          1HB       CYS 108  -7.983 -26.663 -21.542
  856    HG   CYS 108           HG       CYS 108  -6.026 -28.418 -22.319
  857    H    ALA 109           H        ALA 109  -8.162 -26.330 -18.355
  858    HA   ALA 109           HA       ALA 109 -10.415 -24.717 -18.859
  859   1HB   ALA 109          1HB       ALA 109  -9.527 -26.165 -16.372
  860   2HB   ALA 109          2HB       ALA 109 -10.683 -26.715 -17.586
  861   3HB   ALA 109          3HB       ALA 109 -11.088 -25.359 -16.533
  862    H    GLU 110           H        GLU 110  -7.947 -24.433 -16.298
  863    HA   GLU 110           HA       GLU 110  -8.181 -21.532 -16.425
  864   1HB   GLU 110          2HB       GLU 110  -9.188 -23.190 -14.218
  865   2HB   GLU 110          1HB       GLU 110  -8.122 -21.888 -13.708
  866   1HG   GLU 110          2HG       GLU 110  -9.612 -20.396 -15.193
  867   2HG   GLU 110          1HG       GLU 110 -10.762 -21.729 -15.096
  Start of MODEL   23
    1   1H    MET   1          1HT       MET   1 -25.758   6.434 -16.050
    2   2H    MET   1          2HT       MET   1 -24.597   7.520 -15.403
    3   3H    MET   1          3HT       MET   1 -25.749   8.073 -16.549
    4    HA   MET   1           HA       MET   1 -26.185   8.690 -14.220
    5   1HB   MET   1          2HB       MET   1 -27.872   7.700 -16.303
    6   2HB   MET   1          1HB       MET   1 -28.575   7.231 -14.761
    7   1HG   MET   1          2HG       MET   1 -27.704   9.960 -14.652
    8   2HG   MET   1          1HG       MET   1 -28.744   9.710 -16.052
    9   1HE   MET   1          1HE       MET   1 -30.916  11.409 -13.274
   10   2HE   MET   1          2HE       MET   1 -29.513  11.703 -14.300
   11   3HE   MET   1          3HE       MET   1 -29.291  11.206 -12.622
   12    H    SER   2           H        SER   2 -27.546   5.451 -14.775
   13    HA   SER   2           HA       SER   2 -26.324   4.471 -12.322
   14   1HB   SER   2          2HB       SER   2 -29.233   5.031 -12.648
   15   2HB   SER   2          1HB       SER   2 -28.774   3.564 -11.785
   16    HG   SER   2           HG       SER   2 -27.355   5.038 -10.533
   17    H    ARG   3           H        ARG   3 -25.207   3.057 -13.710
   18    HA   ARG   3           HA       ARG   3 -26.868   0.858 -14.744
   19   1HB   ARG   3          2HB       ARG   3 -25.229   2.593 -16.255
   20   2HB   ARG   3          1HB       ARG   3 -24.388   1.050 -16.190
   21   1HG   ARG   3          2HG       ARG   3 -26.774   0.114 -16.811
   22   2HG   ARG   3          1HG       ARG   3 -26.987   1.747 -17.446
   23   1HD   ARG   3          2HD       ARG   3 -24.985   1.485 -18.814
   24   2HD   ARG   3          1HD       ARG   3 -24.737  -0.132 -18.158
   25    HE   ARG   3           HE       ARG   3 -26.363  -0.924 -19.568
   26   1HH1  ARG   3          1HH1      ARG   3 -26.516   2.562 -19.493
   27   2HH1  ARG   3          2HH1      ARG   3 -27.646   2.664 -20.801
   28   1HH2  ARG   3          1HH2      ARG   3 -27.847  -0.791 -21.288
   29   2HH2  ARG   3          2HH2      ARG   3 -28.403   0.762 -21.821
   30    H    SER   4           H        SER   4 -26.537  -0.495 -13.018
   31    HA   SER   4           HA       SER   4 -25.495  -2.060 -11.739
   32   1HB   SER   4          2HB       SER   4 -22.990  -2.027 -13.326
   33   2HB   SER   4          1HB       SER   4 -23.984  -3.390 -12.814
   34    HG   SER   4           HG       SER   4 -25.476  -2.799 -14.457
   35    H    ASN   5           H        ASN   5 -25.186  -0.918  -9.871
   36    HA   ASN   5           HA       ASN   5 -22.694   0.609  -9.592
   37   1HB   ASN   5          2HB       ASN   5 -23.741   1.508  -7.519
   38   2HB   ASN   5          1HB       ASN   5 -24.673   1.856  -8.972
   39   1HD2  ASN   5          1HD2      ASN   5 -26.576   0.640  -9.372
   40   2HD2  ASN   5          2HD2      ASN   5 -27.433  -0.107  -8.071
   41    H    ARG   6           H        ARG   6 -21.030  -0.349  -8.642
   42    HA   ARG   6           HA       ARG   6 -21.532  -2.265  -6.479
   43   1HB   ARG   6          2HB       ARG   6 -20.687  -3.016  -9.034
   44   2HB   ARG   6          1HB       ARG   6 -19.223  -3.031  -8.060
   45   1HG   ARG   6          2HG       ARG   6 -19.909  -5.146  -7.666
   46   2HG   ARG   6          1HG       ARG   6 -20.822  -4.342  -6.388
   47   1HD   ARG   6          2HD       ARG   6 -22.375  -4.199  -8.747
   48   2HD   ARG   6          1HD       ARG   6 -21.785  -5.856  -8.612
   49    HE   ARG   6           HE       ARG   6 -23.796  -4.645  -7.031
   50   1HH1  ARG   6          1HH1      ARG   6 -21.118  -6.874  -6.820
   51   2HH1  ARG   6          2HH1      ARG   6 -21.782  -7.741  -5.477
   52   1HH2  ARG   6          1HH2      ARG   6 -24.672  -5.784  -5.264
   53   2HH2  ARG   6          2HH2      ARG   6 -23.801  -7.124  -4.594
   54    H    GLN   7           H        GLN   7 -20.005  -2.303  -4.856
   55    HA   GLN   7           HA       GLN   7 -18.415   0.057  -4.574
   56   1HB   GLN   7          2HB       GLN   7 -17.685  -1.062  -2.424
   57   2HB   GLN   7          1HB       GLN   7 -19.412  -0.779  -2.594
   58   1HG   GLN   7          2HG       GLN   7 -19.867  -3.038  -2.966
   59   2HG   GLN   7          1HG       GLN   7 -18.181  -3.408  -3.326
   60   1HE2  GLN   7          1HE2      GLN   7 -17.658  -4.853  -1.815
   61   2HE2  GLN   7          2HE2      GLN   7 -17.800  -4.608  -0.111
   62    H    LYS   8           H        LYS   8 -17.850  -2.963  -6.000
   63    HA   LYS   8           HA       LYS   8 -16.013  -3.925  -6.925
   64   1HB   LYS   8          2HB       LYS   8 -15.572  -1.687  -7.818
   65   2HB   LYS   8          1HB       LYS   8 -14.726  -1.253  -6.339
   66   1HG   LYS   8          2HG       LYS   8 -13.200  -1.799  -8.181
   67   2HG   LYS   8          1HG       LYS   8 -13.003  -2.877  -6.797
   68   1HD   LYS   8          2HD       LYS   8 -13.930  -4.679  -7.900
   69   2HD   LYS   8          1HD       LYS   8 -14.845  -3.659  -9.014
   70   1HE   LYS   8          2HE       LYS   8 -13.196  -3.674 -10.513
   71   2HE   LYS   8          1HE       LYS   8 -11.993  -3.255  -9.294
   72   1HZ   LYS   8          1HZ       LYS   8 -13.047  -6.004  -9.615
   73   2HZ   LYS   8          2HZ       LYS   8 -11.675  -5.509  -8.757
   74   3HZ   LYS   8          3HZ       LYS   8 -11.682  -5.450 -10.448
   75    H    GLU   9           H        GLU   9 -14.920  -5.498  -5.985
   76    HA   GLU   9           HA       GLU   9 -13.863  -5.094  -3.290
   77   1HB   GLU   9          2HB       GLU   9 -15.339  -7.129  -4.285
   78   2HB   GLU   9          1HB       GLU   9 -13.723  -7.771  -4.544
   79   1HG   GLU   9          2HG       GLU   9 -14.439  -8.566  -2.446
   80   2HG   GLU   9          1HG       GLU   9 -13.258  -7.298  -2.124
   81    H    TYR  10           H        TYR  10 -11.729  -5.479  -2.735
   82    HA   TYR  10           HA       TYR  10  -9.852  -5.685  -5.007
   83   1HB   TYR  10          2HB       TYR  10  -9.407  -4.311  -2.345
   84   2HB   TYR  10          1HB       TYR  10  -8.275  -4.360  -3.693
   85    HD1  TYR  10           1HD      TYR  10 -11.523  -3.019  -2.558
   86    HD2  TYR  10           2HD      TYR  10  -8.485  -2.862  -5.532
   87    HE1  TYR  10           1HE      TYR  10 -12.532  -0.972  -3.473
   88    HE2  TYR  10           2HE      TYR  10  -9.485  -0.814  -6.453
   89    HH   TYR  10           HH       TYR  10 -10.940   1.008  -5.743
   90    H    LYS  11           H        LYS  11  -7.775  -6.732  -4.532
   91    HA   LYS  11           HA       LYS  11  -7.911  -8.637  -2.307
   92   1HB   LYS  11          2HB       LYS  11  -7.697  -9.207  -5.213
   93   2HB   LYS  11          1HB       LYS  11  -6.714 -10.187  -4.132
   94   1HG   LYS  11          2HG       LYS  11  -9.555  -9.859  -3.397
   95   2HG   LYS  11          1HG       LYS  11  -9.210 -10.827  -4.831
   96   1HD   LYS  11          2HD       LYS  11  -7.394 -11.550  -2.739
   97   2HD   LYS  11          1HD       LYS  11  -9.046 -11.605  -2.121
   98   1HE   LYS  11          2HE       LYS  11  -9.485 -13.470  -3.253
   99   2HE   LYS  11          1HE       LYS  11  -8.888 -12.771  -4.757
  100   1HZ   LYS  11          1HZ       LYS  11  -7.610 -14.610  -2.971
  101   2HZ   LYS  11          2HZ       LYS  11  -6.624 -13.285  -3.337
  102   3HZ   LYS  11          3HZ       LYS  11  -7.248 -14.244  -4.582
  103    H    CYS  12           H        CYS  12  -5.843  -9.551  -1.696
  104    HA   CYS  12           HA       CYS  12  -3.839  -7.696  -1.320
  105   1HB   CYS  12          2HB       CYS  12  -4.099  -9.815  -0.049
  106   2HB   CYS  12          1HB       CYS  12  -3.482 -10.698  -1.441
  107    HG   CYS  12           HG       CYS  12  -1.498  -8.625  -0.491
  108    H    GLY  13           H        GLY  13  -2.167  -6.934  -2.507
  109   1HA   GLY  13          2HA       GLY  13  -0.392  -7.128  -4.067
  110   2HA   GLY  13          1HA       GLY  13  -1.238  -8.469  -4.821
  111    H    ASP  14           H        ASP  14  -3.702  -6.520  -4.540
  112    HA   ASP  14           HA       ASP  14  -3.612  -5.640  -7.243
  113   1HB   ASP  14          2HB       ASP  14  -5.646  -6.241  -5.664
  114   2HB   ASP  14          1HB       ASP  14  -5.590  -4.517  -5.305
  115    H    LEU  15           H        LEU  15  -3.311  -3.617  -8.097
  116    HA   LEU  15           HA       LEU  15  -1.997  -1.688  -6.347
  117   1HB   LEU  15          2HB       LEU  15  -2.321  -1.599  -9.346
  118   2HB   LEU  15          1HB       LEU  15  -1.257  -0.599  -8.377
  119    HG   LEU  15           HG       LEU  15  -0.993  -3.582  -8.765
  120   1HD1  LEU  15          1HD1      LEU  15  -0.370  -1.664 -10.570
  121   2HD1  LEU  15          2HD1      LEU  15   0.476  -3.205 -10.420
  122   3HD1  LEU  15          3HD1      LEU  15   1.132  -1.760  -9.652
  123   1HD2  LEU  15          1HD2      LEU  15   0.589  -3.634  -7.182
  124   2HD2  LEU  15          2HD2      LEU  15  -0.146  -2.138  -6.604
  125   3HD2  LEU  15          3HD2      LEU  15   1.261  -2.076  -7.665
  126    H    VAL  16           H        VAL  16  -3.096  -0.084  -5.480
  127    HA   VAL  16           HA       VAL  16  -5.259   1.166  -7.005
  128    HB   VAL  16           HB       VAL  16  -6.697   1.258  -4.995
  129   1HG1  VAL  16          1HG1      VAL  16  -5.948  -1.355  -6.240
  130   2HG1  VAL  16          2HG1      VAL  16  -7.392  -0.372  -6.480
  131   3HG1  VAL  16          3HG1      VAL  16  -7.188  -1.289  -4.988
  132   1HG2  VAL  16          1HG2      VAL  16  -5.005   0.981  -3.282
  133   2HG2  VAL  16          2HG2      VAL  16  -4.666  -0.654  -3.848
  134   3HG2  VAL  16          3HG2      VAL  16  -6.232  -0.276  -3.128
  135    H    PHE  17           H        PHE  17  -6.098   3.128  -5.746
  136    HA   PHE  17           HA       PHE  17  -3.787   4.613  -4.666
  137   1HB   PHE  17          2HB       PHE  17  -6.083   5.424  -6.417
  138   2HB   PHE  17          1HB       PHE  17  -5.336   6.621  -5.367
  139    HD1  PHE  17           1HD      PHE  17  -2.601   6.346  -5.463
  140    HD2  PHE  17           2HD      PHE  17  -5.371   5.514  -8.576
  141    HE1  PHE  17           1HE      PHE  17  -0.830   6.708  -7.127
  142    HE2  PHE  17           2HE      PHE  17  -3.610   5.874 -10.249
  143    HZ   PHE  17           HZ       PHE  17  -1.332   6.472  -9.529
  144    H    ALA  18           H        ALA  18  -4.023   5.652  -2.690
  145    HA   ALA  18           HA       ALA  18  -6.608   5.251  -1.347
  146   1HB   ALA  18          1HB       ALA  18  -5.494   4.078   0.166
  147   2HB   ALA  18          2HB       ALA  18  -4.666   5.564   0.636
  148   3HB   ALA  18          3HB       ALA  18  -3.948   4.498  -0.572
  149    H    LYS  19           H        LYS  19  -7.657   6.967  -0.662
  150    HA   LYS  19           HA       LYS  19  -6.372   9.574  -0.796
  151   1HB   LYS  19          2HB       LYS  19  -8.537   9.346  -1.879
  152   2HB   LYS  19          1HB       LYS  19  -9.259   8.780  -0.381
  153   1HG   LYS  19          2HG       LYS  19  -9.929  10.992  -0.501
  154   2HG   LYS  19          1HG       LYS  19  -8.538  11.053   0.582
  155   1HD   LYS  19          2HD       LYS  19  -7.306  12.257  -0.867
  156   2HD   LYS  19          1HD       LYS  19  -7.894  11.357  -2.267
  157   1HE   LYS  19          2HE       LYS  19  -9.374  13.537  -0.797
  158   2HE   LYS  19          1HE       LYS  19  -8.594  13.691  -2.371
  159   1HZ   LYS  19          1HZ       LYS  19 -10.393  12.887  -3.352
  160   2HZ   LYS  19          2HZ       LYS  19 -11.194  12.908  -1.863
  161   3HZ   LYS  19          3HZ       LYS  19 -10.397  11.506  -2.373
  162    H    MET  20           H        MET  20  -5.768  10.723   0.912
  163    HA   MET  20           HA       MET  20  -6.796   9.986   3.565
  164   1HB   MET  20          2HB       MET  20  -3.903  10.582   2.917
  165   2HB   MET  20          1HB       MET  20  -4.553  10.266   4.520
  166   1HG   MET  20          2HG       MET  20  -5.271   8.129   2.762
  167   2HG   MET  20          1HG       MET  20  -3.536   8.423   2.660
  168   1HE   MET  20          1HE       MET  20  -1.986   8.547   4.531
  169   2HE   MET  20          2HE       MET  20  -2.021   6.794   4.335
  170   3HE   MET  20          3HE       MET  20  -2.087   7.502   5.949
  171    H    LYS  21           H        LYS  21  -7.172  11.674   4.952
  172    HA   LYS  21           HA       LYS  21  -7.579  14.234   3.881
  173   1HB   LYS  21          2HB       LYS  21  -7.794  14.905   6.337
  174   2HB   LYS  21          1HB       LYS  21  -8.888  13.658   5.751
  175   1HG   LYS  21          2HG       LYS  21  -7.993  12.063   7.066
  176   2HG   LYS  21          1HG       LYS  21  -6.356  12.703   6.916
  177   1HD   LYS  21          2HD       LYS  21  -8.124  14.504   8.360
  178   2HD   LYS  21          1HD       LYS  21  -8.010  12.919   9.125
  179   1HE   LYS  21          2HE       LYS  21  -6.013  13.436   9.944
  180   2HE   LYS  21          1HE       LYS  21  -5.399  13.725   8.317
  181   1HZ   LYS  21          1HZ       LYS  21  -5.396  15.899   8.676
  182   2HZ   LYS  21          2HZ       LYS  21  -5.746  15.592  10.303
  183   3HZ   LYS  21          3HZ       LYS  21  -7.001  15.899   9.211
  184    H    GLY  22           H        GLY  22  -6.195  15.832   3.472
  185   1HA   GLY  22          2HA       GLY  22  -4.485  17.352   4.213
  186   2HA   GLY  22          1HA       GLY  22  -3.745  16.024   5.093
  187    H    TYR  23           H        TYR  23  -4.527  14.567   2.340
  188    HA   TYR  23           HA       TYR  23  -2.480  15.630   0.601
  189   1HB   TYR  23          2HB       TYR  23  -2.015  12.760   1.099
  190   2HB   TYR  23          1HB       TYR  23  -0.859  14.060   0.839
  191    HD1  TYR  23           1HD      TYR  23   0.032  15.324   2.714
  192    HD2  TYR  23           2HD      TYR  23  -2.777  12.191   3.334
  193    HE1  TYR  23           1HE      TYR  23   0.582  15.315   5.110
  194    HE2  TYR  23           2HE      TYR  23  -2.236  12.173   5.733
  195    HH   TYR  23           HH       TYR  23  -0.371  14.637   7.216
  196    HA   PRO  24           HA       PRO  24  -5.065  13.702  -2.407
  197   1HB   PRO  24          2HB       PRO  24  -3.428  13.450  -4.509
  198   2HB   PRO  24          1HB       PRO  24  -3.890  15.039  -3.888
  199   1HG   PRO  24          2HG       PRO  24  -1.355  13.510  -3.484
  200   2HG   PRO  24          1HG       PRO  24  -1.587  15.246  -3.758
  201   1HD   PRO  24          2HD       PRO  24  -1.168  14.081  -1.285
  202   2HD   PRO  24          1HD       PRO  24  -1.932  15.661  -1.543
  203    H    HIS  25           H        HIS  25  -5.256  11.821  -3.931
  204    HA   HIS  25           HA       HIS  25  -4.968   9.385  -2.670
  205   1HB   HIS  25          2HB       HIS  25  -5.020   9.921  -5.654
  206   2HB   HIS  25          1HB       HIS  25  -5.358   8.375  -4.886
  207    HD1  HIS  25           1HD      HIS  25  -6.778  11.866  -5.161
  208    HD2  HIS  25           2HD      HIS  25  -7.940   8.044  -4.017
  209    HE1  HIS  25           1HE      HIS  25  -9.259  12.004  -4.777
  210    HE2  HIS  25           2HE      HIS  25  -9.928   9.699  -4.013
  211    H    TRP  26           H        TRP  26  -3.177   8.273  -2.116
  212    HA   TRP  26           HA       TRP  26  -0.674   8.781  -3.556
  213   1HB   TRP  26          2HB       TRP  26  -1.082   8.834  -0.931
  214   2HB   TRP  26          1HB       TRP  26  -0.776   7.109  -1.090
  215    HD1  TRP  26           HD       TRP  26   1.708   6.390  -1.962
  216    HE1  TRP  26           1HE      TRP  26   3.967   7.613  -1.741
  217    HE3  TRP  26           3HE      TRP  26  -0.000  11.093  -0.923
  218    HZ2  TRP  26           2HZ      TRP  26   4.889  10.232  -1.204
  219    HZ3  TRP  26           3HZ      TRP  26   1.618  12.892  -0.574
  220    HH2  TRP  26           HH       TRP  26   4.001  12.473  -0.711
  221    HA   PRO  27           HA       PRO  27  -0.906   4.892  -5.741
  222   1HB   PRO  27          2HB       PRO  27   1.848   4.504  -5.902
  223   2HB   PRO  27          1HB       PRO  27   0.878   5.420  -7.059
  224   1HG   PRO  27          2HG       PRO  27   2.542   6.400  -4.783
  225   2HG   PRO  27          1HG       PRO  27   2.312   7.106  -6.394
  226   1HD   PRO  27          2HD       PRO  27   1.079   8.115  -4.242
  227   2HD   PRO  27          1HD       PRO  27   0.269   8.051  -5.822
  228    H    ALA  28           H        ALA  28  -1.418   3.071  -4.689
  229    HA   ALA  28           HA       ALA  28   0.486   1.989  -2.753
  230   1HB   ALA  28          1HB       ALA  28  -1.779   3.391  -1.974
  231   2HB   ALA  28          2HB       ALA  28  -0.763   2.362  -0.962
  232   3HB   ALA  28          3HB       ALA  28  -2.194   1.692  -1.745
  233    H    ARG  29           H        ARG  29  -0.429  -0.168  -1.868
  234    HA   ARG  29           HA       ARG  29  -1.881  -1.685  -3.902
  235   1HB   ARG  29          2HB       ARG  29   0.603  -1.842  -4.343
  236   2HB   ARG  29          1HB       ARG  29   0.759  -2.637  -2.783
  237   1HG   ARG  29          2HG       ARG  29  -1.050  -4.254  -3.771
  238   2HG   ARG  29          1HG       ARG  29  -0.452  -3.637  -5.311
  239   1HD   ARG  29          2HD       ARG  29   0.956  -5.412  -5.036
  240   2HD   ARG  29          1HD       ARG  29   1.889  -4.165  -4.209
  241    HE   ARG  29           HE       ARG  29   0.373  -5.241  -2.234
  242   1HH1  ARG  29          1HH1      ARG  29   2.546  -6.593  -4.607
  243   2HH1  ARG  29          2HH1      ARG  29   3.020  -7.919  -3.600
  244   1HH2  ARG  29          1HH2      ARG  29   0.993  -6.986  -0.910
  245   2HH2  ARG  29          2HH2      ARG  29   2.139  -8.143  -1.502
  246    H    ILE  30           H        ILE  30  -2.711  -3.733  -3.091
  247    HA   ILE  30           HA       ILE  30  -3.375  -3.586  -0.267
  248    HB   ILE  30           HB       ILE  30  -4.149  -5.852  -2.091
  249   1HG1  ILE  30          2HG1      ILE  30  -4.680  -3.756  -3.275
  250   2HG1  ILE  30          1HG1      ILE  30  -6.141  -4.587  -2.753
  251   1HG2  ILE  30          1HG2      ILE  30  -5.686  -6.377  -0.520
  252   2HG2  ILE  30          2HG2      ILE  30  -6.004  -4.691  -0.109
  253   3HG2  ILE  30          3HG2      ILE  30  -4.578  -5.504   0.538
  254   1HD1  ILE  30          1HD1      ILE  30  -5.437  -1.931  -2.293
  255   2HD1  ILE  30          2HD1      ILE  30  -5.276  -2.742  -0.735
  256   3HD1  ILE  30          3HD1      ILE  30  -6.804  -2.814  -1.614
  257    H    ASP  31           H        ASP  31  -2.600  -4.947   1.325
  258    HA   ASP  31           HA       ASP  31  -0.628  -6.950   0.465
  259   1HB   ASP  31          2HB       ASP  31   0.058  -4.675   1.718
  260   2HB   ASP  31          1HB       ASP  31  -0.256  -5.695   3.120
  261    H    GLU  32           H        GLU  32  -3.442  -6.374   2.315
  262    HA   GLU  32           HA       GLU  32  -3.541  -9.127   3.096
  263   1HB   GLU  32          2HB       GLU  32  -2.803  -7.039   5.064
  264   2HB   GLU  32          1HB       GLU  32  -3.983  -8.233   5.587
  265   1HG   GLU  32          2HG       GLU  32  -1.975  -9.713   4.362
  266   2HG   GLU  32          1HG       GLU  32  -1.127  -8.472   5.282
  267    H    MET  33           H        MET  33  -5.559  -9.753   4.000
  268    HA   MET  33           HA       MET  33  -7.698  -7.787   4.074
  269   1HB   MET  33          2HB       MET  33  -8.009 -10.242   2.348
  270   2HB   MET  33          1HB       MET  33  -9.094  -8.866   2.472
  271   1HG   MET  33          2HG       MET  33  -6.639  -7.827   1.620
  272   2HG   MET  33          1HG       MET  33  -6.887  -9.302   0.695
  273   1HE   MET  33          1HE       MET  33  -8.287  -5.293   0.030
  274   2HE   MET  33          2HE       MET  33  -7.523  -5.927   1.487
  275   3HE   MET  33          3HE       MET  33  -9.276  -5.751   1.416
  276    HA   PRO  34           HA       PRO  34  -8.829 -10.525   7.389
  277   1HB   PRO  34          2HB       PRO  34 -11.296  -9.557   7.927
  278   2HB   PRO  34          1HB       PRO  34  -9.822  -8.679   8.354
  279   1HG   PRO  34          2HG       PRO  34 -11.641  -8.294   6.008
  280   2HG   PRO  34          1HG       PRO  34 -10.895  -7.074   7.057
  281   1HD   PRO  34          2HD       PRO  34  -9.907  -7.713   4.610
  282   2HD   PRO  34          1HD       PRO  34  -8.877  -7.179   5.953
  283    H    GLU  35           H        GLU  35  -9.001 -12.540   6.405
  284    HA   GLU  35           HA       GLU  35 -11.719 -13.360   5.803
  285   1HB   GLU  35          2HB       GLU  35 -10.923 -14.498   3.699
  286   2HB   GLU  35          1HB       GLU  35 -11.031 -12.744   3.632
  287   1HG   GLU  35          2HG       GLU  35  -8.507 -12.875   4.308
  288   2HG   GLU  35          1HG       GLU  35  -8.633 -14.500   3.637
  289    H    ALA  36           H        ALA  36  -8.990 -14.023   7.485
  290    HA   ALA  36           HA       ALA  36  -9.788 -16.685   8.026
  291   1HB   ALA  36          1HB       ALA  36  -8.443 -16.642   5.733
  292   2HB   ALA  36          2HB       ALA  36  -8.306 -17.973   6.885
  293   3HB   ALA  36          3HB       ALA  36  -7.073 -16.714   6.844
  294    H    ALA  37           H        ALA  37  -7.177 -14.317   8.083
  295    HA   ALA  37           HA       ALA  37  -6.911 -14.747  10.933
  296   1HB   ALA  37          1HB       ALA  37  -5.193 -16.114   9.359
  297   2HB   ALA  37          2HB       ALA  37  -4.805 -15.553  10.986
  298   3HB   ALA  37          3HB       ALA  37  -4.301 -14.609   9.584
  299    H    VAL  38           H        VAL  38  -7.419 -12.750  11.562
  300    HA   VAL  38           HA       VAL  38  -5.609 -10.596  10.920
  301    HB   VAL  38           HB       VAL  38  -7.586  -9.070  10.336
  302   1HG1  VAL  38          1HG1      VAL  38  -7.054 -11.090   8.194
  303   2HG1  VAL  38          2HG1      VAL  38  -5.745 -10.082   8.814
  304   3HG1  VAL  38          3HG1      VAL  38  -7.161  -9.332   8.074
  305   1HG2  VAL  38          1HG2      VAL  38  -9.621  -9.914   9.842
  306   2HG2  VAL  38          2HG2      VAL  38  -9.103 -11.241  10.881
  307   3HG2  VAL  38          3HG2      VAL  38  -8.954 -11.384   9.130
  308    H    LYS  39           H        LYS  39  -5.126 -10.328  13.052
  309    HA   LYS  39           HA       LYS  39  -7.143 -10.271  15.087
  310   1HB   LYS  39          2HB       LYS  39  -4.237  -9.449  15.229
  311   2HB   LYS  39          1HB       LYS  39  -5.301  -9.718  16.604
  312   1HG   LYS  39          2HG       LYS  39  -5.147 -11.964  16.456
  313   2HG   LYS  39          1HG       LYS  39  -5.049 -11.952  14.692
  314   1HD   LYS  39          2HD       LYS  39  -2.809 -11.087  16.519
  315   2HD   LYS  39          1HD       LYS  39  -2.961 -12.709  15.840
  316   1HE   LYS  39          2HE       LYS  39  -1.972 -12.030  13.974
  317   2HE   LYS  39          1HE       LYS  39  -3.240 -10.831  13.724
  318   1HZ   LYS  39          1HZ       LYS  39  -1.749  -9.624  15.577
  319   2HZ   LYS  39          2HZ       LYS  39  -1.535  -9.405  13.914
  320   3HZ   LYS  39          3HZ       LYS  39  -0.553 -10.494  14.754
  321    H    SER  40           H        SER  40  -4.694  -7.746  14.546
  322    HA   SER  40           HA       SER  40  -6.376  -5.694  15.531
  323   1HB   SER  40          2HB       SER  40  -4.131  -4.988  13.705
  324   2HB   SER  40          1HB       SER  40  -4.566  -4.303  15.271
  325    HG   SER  40           HG       SER  40  -2.604  -5.798  14.979
  326    H    THR  41           H        THR  41  -8.312  -5.924  14.321
  327    HA   THR  41           HA       THR  41  -8.220  -4.513  11.760
  328    HB   THR  41           HB       THR  41  -9.639  -7.157  12.143
  329    HG1  THR  41           1HG      THR  41  -7.339  -6.461  10.641
  330   1HG2  THR  41          1HG2      THR  41  -9.484  -5.301   9.791
  331   2HG2  THR  41          2HG2      THR  41 -10.919  -5.944  10.589
  332   3HG2  THR  41          3HG2      THR  41  -9.884  -7.011   9.640
  333    H    ALA  42           H        ALA  42 -10.398  -3.915  11.007
  334    HA   ALA  42           HA       ALA  42 -12.643  -3.946  12.734
  335   1HB   ALA  42          1HB       ALA  42 -10.763  -1.669  12.940
  336   2HB   ALA  42          2HB       ALA  42 -11.886  -2.323  14.132
  337   3HB   ALA  42          3HB       ALA  42 -12.478  -1.269  12.848
  338    H    ASN  43           H        ASN  43 -12.421  -4.697  10.192
  339    HA   ASN  43           HA       ASN  43 -13.461  -4.508   8.181
  340   1HB   ASN  43          2HB       ASN  43 -14.608  -1.894   9.176
  341   2HB   ASN  43          1HB       ASN  43 -15.196  -2.864   7.829
  342   1HD2  ASN  43          1HD2      ASN  43 -17.136  -3.531   8.435
  343   2HD2  ASN  43          2HD2      ASN  43 -17.500  -4.354   9.911
  344    H    LYS  44           H        LYS  44 -10.828  -3.616   8.614
  345    HA   LYS  44           HA       LYS  44 -10.630  -1.675   6.430
  346   1HB   LYS  44          2HB       LYS  44  -8.687  -1.417   8.669
  347   2HB   LYS  44          1HB       LYS  44  -9.290  -0.194   7.560
  348   1HG   LYS  44          2HG       LYS  44 -11.142   0.246   8.827
  349   2HG   LYS  44          1HG       LYS  44 -11.188  -1.375   9.525
  350   1HD   LYS  44          2HD       LYS  44  -9.531  -0.885  11.083
  351   2HD   LYS  44          1HD       LYS  44  -8.928   0.489  10.154
  352   1HE   LYS  44          2HE       LYS  44 -11.687   0.889  10.881
  353   2HE   LYS  44          1HE       LYS  44 -10.717   0.536  12.309
  354   1HZ   LYS  44          1HZ       LYS  44 -10.239   2.702  12.235
  355   2HZ   LYS  44          2HZ       LYS  44 -10.719   2.872  10.622
  356   3HZ   LYS  44          3HZ       LYS  44  -9.171   2.298  10.986
  357    H    TYR  45           H        TYR  45  -8.908  -1.921   5.082
  358    HA   TYR  45           HA       TYR  45  -7.411  -4.439   5.351
  359   1HB   TYR  45          2HB       TYR  45  -7.277  -2.650   2.939
  360   2HB   TYR  45          1HB       TYR  45  -7.088  -4.395   3.039
  361    HD1  TYR  45           1HD      TYR  45  -9.680  -4.740   4.776
  362    HD2  TYR  45           2HD      TYR  45  -8.838  -2.756   1.109
  363    HE1  TYR  45           1HE      TYR  45 -12.022  -5.029   4.088
  364    HE2  TYR  45           2HE      TYR  45 -11.182  -3.035   0.415
  365    HH   TYR  45           HH       TYR  45 -13.113  -4.913   1.172
  366    H    GLN  46           H        GLN  46  -5.103  -4.421   4.688
  367    HA   GLN  46           HA       GLN  46  -3.745  -2.082   5.833
  368   1HB   GLN  46          2HB       GLN  46  -3.365  -4.521   6.638
  369   2HB   GLN  46          1HB       GLN  46  -2.417  -4.698   5.167
  370   1HG   GLN  46          2HG       GLN  46  -1.577  -2.319   6.442
  371   2HG   GLN  46          1HG       GLN  46  -1.650  -3.586   7.664
  372   1HE2  GLN  46          1HE2      GLN  46   0.519  -3.842   7.930
  373   2HE2  GLN  46          2HE2      GLN  46   1.569  -4.459   6.704
  374    H    VAL  47           H        VAL  47  -3.186  -0.628   4.360
  375    HA   VAL  47           HA       VAL  47  -2.386  -1.523   1.686
  376    HB   VAL  47           HB       VAL  47  -3.231   1.216   2.637
  377   1HG1  VAL  47          1HG1      VAL  47  -1.971   0.294   0.164
  378   2HG1  VAL  47          2HG1      VAL  47  -2.102   1.922   0.836
  379   3HG1  VAL  47          3HG1      VAL  47  -3.443   1.234  -0.083
  380   1HG2  VAL  47          1HG2      VAL  47  -4.829  -0.949   2.201
  381   2HG2  VAL  47          2HG2      VAL  47  -4.839  -0.168   0.620
  382   3HG2  VAL  47          3HG2      VAL  47  -5.340   0.733   2.051
  383    H    PHE  48           H        PHE  48  -0.508  -0.913   0.736
  384    HA   PHE  48           HA       PHE  48   1.551   0.230   2.508
  385   1HB   PHE  48          2HB       PHE  48   2.011  -2.051   1.678
  386   2HB   PHE  48          1HB       PHE  48   1.875  -1.471   0.021
  387    HD1  PHE  48           1HD      PHE  48   3.887  -1.292  -1.047
  388    HD2  PHE  48           2HD      PHE  48   3.679  -0.360   3.102
  389    HE1  PHE  48           1HE      PHE  48   6.286  -0.741  -1.054
  390    HE2  PHE  48           2HE      PHE  48   6.077   0.193   3.102
  391    HZ   PHE  48           HZ       PHE  48   7.384   0.003   1.021
  392    H    PHE  49           H        PHE  49   2.249   2.215   2.057
  393    HA   PHE  49           HA       PHE  49   1.492   3.453  -0.482
  394   1HB   PHE  49          2HB       PHE  49   2.599   4.710   2.040
  395   2HB   PHE  49          1HB       PHE  49   2.018   5.580   0.620
  396    HD1  PHE  49           1HD      PHE  49  -0.402   5.374  -0.020
  397    HD2  PHE  49           2HD      PHE  49   1.115   3.975   3.698
  398    HE1  PHE  49           1HE      PHE  49  -2.686   5.330   0.890
  399    HE2  PHE  49           2HE      PHE  49  -1.163   3.926   4.613
  400    HZ   PHE  49           HZ       PHE  49  -3.070   4.603   3.212
  401    H    PHE  50           H        PHE  50   2.937   3.374  -2.078
  402    HA   PHE  50           HA       PHE  50   5.637   2.675  -1.774
  403   1HB   PHE  50          2HB       PHE  50   4.134   3.965  -4.054
  404   2HB   PHE  50          1HB       PHE  50   5.838   3.533  -4.164
  405    HD1  PHE  50           1HD      PHE  50   6.396   1.061  -3.495
  406    HD2  PHE  50           2HD      PHE  50   2.563   2.432  -4.735
  407    HE1  PHE  50           1HE      PHE  50   5.779  -1.239  -4.112
  408    HE2  PHE  50           2HE      PHE  50   1.938   0.132  -5.348
  409    HZ   PHE  50           HZ       PHE  50   3.546  -1.705  -5.040
  410    H    GLY  51           H        GLY  51   7.350   4.215  -2.968
  411   1HA   GLY  51          2HA       GLY  51   8.620   6.131  -2.850
  412   2HA   GLY  51          1HA       GLY  51   7.149   7.006  -2.454
  413    H    THR  52           H        THR  52   6.325   6.395  -0.147
  414    HA   THR  52           HA       THR  52   8.533   6.957   1.672
  415    HB   THR  52           HB       THR  52   6.782   7.522   3.287
  416    HG1  THR  52           1HG      THR  52   4.944   6.835   1.243
  417   1HG2  THR  52          1HG2      THR  52   6.937   8.791   0.670
  418   2HG2  THR  52          2HG2      THR  52   6.960   9.501   2.286
  419   3HG2  THR  52          3HG2      THR  52   5.423   9.091   1.522
  420    H    HIS  53           H        HIS  53   6.441   4.386   0.751
  421    HA   HIS  53           HA       HIS  53   6.246   2.220   1.430
  422   1HB   HIS  53          2HB       HIS  53   8.833   2.880   2.858
  423   2HB   HIS  53          1HB       HIS  53   8.148   1.262   2.758
  424    HD1  HIS  53           1HD      HIS  53  10.863   1.531   1.603
  425    HD2  HIS  53           2HD      HIS  53   7.447   2.338  -0.620
  426    HE1  HIS  53           1HE      HIS  53  11.553   1.286  -0.802
  427    HE2  HIS  53           2HE      HIS  53   9.489   1.856  -2.130
  428    H    GLU  54           H        GLU  54   4.863   4.238   2.833
  429    HA   GLU  54           HA       GLU  54   5.001   3.502   5.649
  430   1HB   GLU  54          2HB       GLU  54   3.205   5.479   4.231
  431   2HB   GLU  54          1HB       GLU  54   3.320   5.267   5.973
  432   1HG   GLU  54          2HG       GLU  54   5.595   6.038   5.972
  433   2HG   GLU  54          1HG       GLU  54   5.611   6.110   4.210
  434    H    THR  55           H        THR  55   3.098   2.778   6.825
  435    HA   THR  55           HA       THR  55   1.182   1.365   5.105
  436    HB   THR  55           HB       THR  55   1.302  -0.139   7.430
  437    HG1  THR  55           1HG      THR  55   3.213   0.066   8.221
  438   1HG2  THR  55          1HG2      THR  55   2.787  -1.682   5.980
  439   2HG2  THR  55          2HG2      THR  55   2.466  -0.502   4.709
  440   3HG2  THR  55          3HG2      THR  55   1.127  -1.351   5.483
  441    H    ALA  56           H        ALA  56  -0.889   1.348   5.661
  442    HA   ALA  56           HA       ALA  56  -1.771   2.307   8.246
  443   1HB   ALA  56          1HB       ALA  56  -1.281   4.259   6.508
  444   2HB   ALA  56          2HB       ALA  56  -2.604   4.336   7.675
  445   3HB   ALA  56          3HB       ALA  56  -2.924   3.857   6.006
  446    H    PHE  57           H        PHE  57  -4.211   2.342   8.370
  447    HA   PHE  57           HA       PHE  57  -5.261   0.120   6.759
  448   1HB   PHE  57          2HB       PHE  57  -6.137   1.156   9.463
  449   2HB   PHE  57          1HB       PHE  57  -6.901  -0.174   8.597
  450    HD1  PHE  57           1HD      PHE  57  -6.058  -2.351   8.750
  451    HD2  PHE  57           2HD      PHE  57  -3.727   0.918  10.157
  452    HE1  PHE  57           1HE      PHE  57  -4.463  -3.928   9.760
  453    HE2  PHE  57           2HE      PHE  57  -2.128  -0.653  11.171
  454    HZ   PHE  57           HZ       PHE  57  -2.494  -3.080  10.972
  455    H    LEU  58           H        LEU  58  -6.799   0.537   5.304
  456    HA   LEU  58           HA       LEU  58  -8.570   2.825   5.729
  457   1HB   LEU  58          2HB       LEU  58  -6.976   2.304   3.225
  458   2HB   LEU  58          1HB       LEU  58  -8.325   3.423   3.308
  459    HG   LEU  58           HG       LEU  58  -5.748   3.655   4.866
  460   1HD1  LEU  58          1HD1      LEU  58  -5.520   5.730   3.437
  461   2HD1  LEU  58          2HD1      LEU  58  -6.800   5.058   2.426
  462   3HD1  LEU  58          3HD1      LEU  58  -5.281   4.186   2.618
  463   1HD2  LEU  58          1HD2      LEU  58  -7.055   4.825   6.270
  464   2HD2  LEU  58          2HD2      LEU  58  -8.358   4.982   5.092
  465   3HD2  LEU  58          3HD2      LEU  58  -6.971   6.071   5.025
  466    H    GLY  59           H        GLY  59 -10.470   2.795   4.269
  467   1HA   GLY  59          2HA       GLY  59 -11.381   0.033   3.941
  468   2HA   GLY  59          1HA       GLY  59 -12.403   1.463   3.985
  469    HA   PRO  60           HA       PRO  60 -11.490  -0.113  -0.446
  470   1HB   PRO  60          2HB       PRO  60 -14.093  -0.782  -1.026
  471   2HB   PRO  60          1HB       PRO  60 -12.868  -1.928  -0.475
  472   1HG   PRO  60          2HG       PRO  60 -15.012  -0.549   1.085
  473   2HG   PRO  60          1HG       PRO  60 -14.443  -2.226   1.196
  474   1HD   PRO  60          2HD       PRO  60 -13.701  -0.352   2.978
  475   2HD   PRO  60          1HD       PRO  60 -12.599  -1.648   2.468
  476    H    LYS  61           H        LYS  61 -13.745   1.987   1.164
  477    HA   LYS  61           HA       LYS  61 -14.767   3.293  -1.141
  478   1HB   LYS  61          2HB       LYS  61 -14.543   4.296   1.704
  479   2HB   LYS  61          1HB       LYS  61 -15.523   5.023   0.438
  480   1HG   LYS  61          2HG       LYS  61 -16.056   2.180   0.870
  481   2HG   LYS  61          1HG       LYS  61 -16.402   3.205   2.265
  482   1HD   LYS  61          2HD       LYS  61 -17.345   4.286  -0.292
  483   2HD   LYS  61          1HD       LYS  61 -18.108   2.766   0.180
  484   1HE   LYS  61          2HE       LYS  61 -19.100   3.678   2.026
  485   2HE   LYS  61          1HE       LYS  61 -17.836   4.889   2.240
  486   1HZ   LYS  61          1HZ       LYS  61 -20.078   5.712   1.469
  487   2HZ   LYS  61          2HZ       LYS  61 -19.744   4.985  -0.021
  488   3HZ   LYS  61          3HZ       LYS  61 -18.745   6.221   0.557
  489    H    ASP  62           H        ASP  62 -11.865   3.605   0.727
  490    HA   ASP  62           HA       ASP  62 -11.174   6.122  -0.596
  491   1HB   ASP  62          2HB       ASP  62  -9.927   4.619   1.704
  492   2HB   ASP  62          1HB       ASP  62  -9.167   6.023   0.960
  493    H    LEU  63           H        LEU  63 -11.067   3.087  -1.549
  494    HA   LEU  63           HA       LEU  63  -8.337   3.243  -2.630
  495   1HB   LEU  63          2HB       LEU  63 -10.166   0.868  -2.278
  496   2HB   LEU  63          1HB       LEU  63  -8.618   0.804  -3.100
  497    HG   LEU  63           HG       LEU  63  -8.970   1.579  -0.205
  498   1HD1  LEU  63          1HD1      LEU  63  -7.669  -0.767  -0.129
  499   2HD1  LEU  63          2HD1      LEU  63  -8.694  -1.037  -1.538
  500   3HD1  LEU  63          3HD1      LEU  63  -9.421  -0.620   0.014
  501   1HD2  LEU  63          1HD2      LEU  63  -6.384   0.600  -1.153
  502   2HD2  LEU  63          2HD2      LEU  63  -6.770   1.981  -0.127
  503   3HD2  LEU  63          3HD2      LEU  63  -6.879   2.128  -1.881
  504    H    PHE  64           H        PHE  64  -7.995   3.198  -4.813
  505    HA   PHE  64           HA       PHE  64 -10.353   2.965  -6.556
  506   1HB   PHE  64          2HB       PHE  64  -8.211   5.083  -6.856
  507   2HB   PHE  64          1HB       PHE  64  -9.651   4.893  -7.849
  508    HD1  PHE  64           1HD      PHE  64  -8.793   5.270  -4.229
  509    HD2  PHE  64           2HD      PHE  64 -11.368   6.347  -7.442
  510    HE1  PHE  64           1HE      PHE  64 -10.023   6.780  -2.729
  511    HE2  PHE  64           2HE      PHE  64 -12.603   7.862  -5.947
  512    HZ   PHE  64           HZ       PHE  64 -11.930   8.080  -3.587
  513    HA   PRO  65           HA       PRO  65  -7.821   0.421  -9.128
  514   1HB   PRO  65          2HB       PRO  65  -8.956   1.669 -11.529
  515   2HB   PRO  65          1HB       PRO  65  -9.145   0.018 -10.937
  516   1HG   PRO  65          2HG       PRO  65 -11.167   1.793 -10.883
  517   2HG   PRO  65          1HG       PRO  65 -10.966   0.557  -9.628
  518   1HD   PRO  65          2HD       PRO  65 -10.251   3.466  -9.554
  519   2HD   PRO  65          1HD       PRO  65 -11.003   2.458  -8.299
  520    H    TYR  66           H        TYR  66  -5.701   0.971  -9.121
  521    HA   TYR  66           HA       TYR  66  -4.601   3.431  -9.761
  522   1HB   TYR  66          2HB       TYR  66  -3.321   1.769  -8.558
  523   2HB   TYR  66          1HB       TYR  66  -3.344   0.687  -9.949
  524    HD1  TYR  66           1HD      TYR  66  -1.812   0.969 -11.759
  525    HD2  TYR  66           2HD      TYR  66  -1.979   3.852  -8.634
  526    HE1  TYR  66           1HE      TYR  66   0.257   1.991 -12.604
  527    HE2  TYR  66           2HE      TYR  66   0.098   4.878  -9.465
  528    HH   TYR  66           HH       TYR  66   2.066   3.382 -11.846
  529    H    GLU  67           H        GLU  67  -4.464   0.529 -11.839
  530    HA   GLU  67           HA       GLU  67  -3.372   1.677 -14.081
  531   1HB   GLU  67          2HB       GLU  67  -5.000  -0.696 -13.529
  532   2HB   GLU  67          1HB       GLU  67  -5.154  -0.109 -15.179
  533   1HG   GLU  67          2HG       GLU  67  -3.365  -1.409 -15.534
  534   2HG   GLU  67          1HG       GLU  67  -2.481  -0.024 -14.897
  535    H    GLU  68           H        GLU  68  -6.764   1.603 -13.152
  536    HA   GLU  68           HA       GLU  68  -7.743   2.846 -15.499
  537   1HB   GLU  68          2HB       GLU  68  -8.885   1.489 -13.444
  538   2HB   GLU  68          1HB       GLU  68  -9.344   3.141 -13.047
  539   1HG   GLU  68          2HG       GLU  68 -10.738   3.325 -14.812
  540   2HG   GLU  68          1HG       GLU  68  -9.740   2.305 -15.848
  541    H    SER  69           H        SER  69  -6.807   4.104 -12.327
  542    HA   SER  69           HA       SER  69  -7.464   6.805 -13.290
  543   1HB   SER  69          2HB       SER  69  -6.650   6.523 -10.479
  544   2HB   SER  69          1HB       SER  69  -8.029   7.368 -11.181
  545    HG   SER  69           HG       SER  69  -9.187   5.517 -11.169
  546    H    LYS  70           H        LYS  70  -4.875   4.964 -13.540
  547    HA   LYS  70           HA       LYS  70  -2.778   6.260 -12.262
  548   1HB   LYS  70          2HB       LYS  70  -1.315   5.215 -13.818
  549   2HB   LYS  70          1HB       LYS  70  -2.653   4.107 -13.555
  550   1HG   LYS  70          2HG       LYS  70  -3.622   4.666 -15.667
  551   2HG   LYS  70          1HG       LYS  70  -2.460   5.972 -15.908
  552   1HD   LYS  70          2HD       LYS  70  -1.206   4.499 -17.015
  553   2HD   LYS  70          1HD       LYS  70  -0.874   3.748 -15.453
  554   1HE   LYS  70          2HE       LYS  70  -1.623   2.033 -16.925
  555   2HE   LYS  70          1HE       LYS  70  -2.925   2.357 -15.785
  556   1HZ   LYS  70          1HZ       LYS  70  -3.034   2.427 -18.566
  557   2HZ   LYS  70          2HZ       LYS  70  -3.242   4.018 -18.032
  558   3HZ   LYS  70          3HZ       LYS  70  -4.269   2.797 -17.469
  559    H    GLU  71           H        GLU  71  -4.241   6.982 -15.407
  560    HA   GLU  71           HA       GLU  71  -2.474   9.111 -16.039
  561   1HB   GLU  71          2HB       GLU  71  -5.184   8.331 -17.099
  562   2HB   GLU  71          1HB       GLU  71  -4.265   9.686 -17.738
  563   1HG   GLU  71          2HG       GLU  71  -2.406   7.735 -17.851
  564   2HG   GLU  71          1HG       GLU  71  -3.878   6.797 -18.094
  565    H    LYS  72           H        LYS  72  -5.404   8.928 -14.164
  566    HA   LYS  72           HA       LYS  72  -5.871  11.777 -14.247
  567   1HB   LYS  72          2HB       LYS  72  -7.178   9.538 -12.709
  568   2HB   LYS  72          1HB       LYS  72  -7.662  11.222 -12.563
  569   1HG   LYS  72          2HG       LYS  72  -8.054  11.204 -15.051
  570   2HG   LYS  72          1HG       LYS  72  -7.838   9.454 -14.984
  571   1HD   LYS  72          2HD       LYS  72  -9.720  10.582 -13.017
  572   2HD   LYS  72          1HD       LYS  72 -10.222  10.699 -14.704
  573   1HE   LYS  72          2HE       LYS  72  -9.144   8.092 -14.189
  574   2HE   LYS  72          1HE       LYS  72 -10.389   8.467 -12.998
  575   1HZ   LYS  72          1HZ       LYS  72 -10.633   8.025 -15.856
  576   2HZ   LYS  72          2HZ       LYS  72 -11.581   9.278 -15.232
  577   3HZ   LYS  72          3HZ       LYS  72 -11.737   7.713 -14.612
  578    H    PHE  73           H        PHE  73  -4.802   9.434 -11.785
  579    HA   PHE  73           HA       PHE  73  -4.098  11.701 -10.060
  580   1HB   PHE  73          2HB       PHE  73  -4.312   8.779  -9.332
  581   2HB   PHE  73          1HB       PHE  73  -4.086  10.124  -8.217
  582    HD1  PHE  73           1HD      PHE  73  -5.922  11.214  -7.299
  583    HD2  PHE  73           2HD      PHE  73  -6.452   8.749 -10.728
  584    HE1  PHE  73           1HE      PHE  73  -8.363  11.449  -7.089
  585    HE2  PHE  73           2HE      PHE  73  -8.893   8.979 -10.520
  586    HZ   PHE  73           HZ       PHE  73  -9.851  10.329  -8.699
  587    H    GLY  74           H        GLY  74  -2.555   9.803 -12.278
  588   1HA   GLY  74          2HA       GLY  74  -0.131   9.386 -10.723
  589   2HA   GLY  74          1HA       GLY  74  -0.390   8.913 -12.393
  590    H    LYS  75           H        LYS  75   0.119  11.758 -10.320
  591    HA   LYS  75           HA       LYS  75   1.924  12.843 -12.313
  592   1HB   LYS  75          2HB       LYS  75  -0.355  14.540 -11.301
  593   2HB   LYS  75          1HB       LYS  75   0.827  14.955 -12.536
  594   1HG   LYS  75          2HG       LYS  75  -0.130  13.014 -13.875
  595   2HG   LYS  75          1HG       LYS  75  -1.462  13.026 -12.717
  596   1HD   LYS  75          2HD       LYS  75  -2.299  14.993 -13.496
  597   2HD   LYS  75          1HD       LYS  75  -0.707  15.623 -13.924
  598   1HE   LYS  75          2HE       LYS  75  -0.693  14.570 -15.974
  599   2HE   LYS  75          1HE       LYS  75  -1.824  13.321 -15.457
  600   1HZ   LYS  75          1HZ       LYS  75  -2.931  15.981 -15.425
  601   2HZ   LYS  75          2HZ       LYS  75  -3.567  14.551 -16.070
  602   3HZ   LYS  75          3HZ       LYS  75  -2.461  15.464 -16.967
  603    HA   PRO  76           HA       PRO  76   4.387  14.280  -8.962
  604   1HB   PRO  76          2HB       PRO  76   4.160  17.014 -10.141
  605   2HB   PRO  76          1HB       PRO  76   5.601  16.117  -9.649
  606   1HG   PRO  76          2HG       PRO  76   4.969  16.344 -12.221
  607   2HG   PRO  76          1HG       PRO  76   5.616  14.823 -11.576
  608   1HD   PRO  76          2HD       PRO  76   2.823  15.518 -12.350
  609   2HD   PRO  76          1HD       PRO  76   3.680  13.970 -12.482
  610    H    ASN  77           H        ASN  77   4.221  15.267  -6.968
  611    HA   ASN  77           HA       ASN  77   1.801  16.883  -6.486
  612   1HB   ASN  77          2HB       ASN  77   2.650  14.351  -5.178
  613   2HB   ASN  77          1HB       ASN  77   1.929  15.588  -4.153
  614   1HD2  ASN  77          1HD2      ASN  77  -0.058  16.641  -5.356
  615   2HD2  ASN  77          2HD2      ASN  77  -1.212  15.491  -5.933
  616    H    LYS  78           H        LYS  78   1.850  18.011  -4.361
  617    HA   LYS  78           HA       LYS  78   4.434  19.291  -4.047
  618   1HB   LYS  78          2HB       LYS  78   1.631  19.927  -3.232
  619   2HB   LYS  78          1HB       LYS  78   2.958  20.687  -2.364
  620   1HG   LYS  78          2HG       LYS  78   2.404  22.218  -4.026
  621   2HG   LYS  78          1HG       LYS  78   3.823  21.386  -4.665
  622   1HD   LYS  78          2HD       LYS  78   1.958  19.802  -5.694
  623   2HD   LYS  78          1HD       LYS  78   0.988  21.268  -5.545
  624   1HE   LYS  78          2HE       LYS  78   1.931  21.306  -7.717
  625   2HE   LYS  78          1HE       LYS  78   2.838  22.476  -6.758
  626   1HZ   LYS  78          1HZ       LYS  78   3.689  19.743  -7.535
  627   2HZ   LYS  78          2HZ       LYS  78   4.519  20.691  -6.407
  628   3HZ   LYS  78          3HZ       LYS  78   4.383  21.211  -8.010
  629    H    ARG  79           H        ARG  79   2.594  16.865  -2.477
  630    HA   ARG  79           HA       ARG  79   3.477  17.256   0.180
  631   1HB   ARG  79          2HB       ARG  79   2.730  14.631  -1.112
  632   2HB   ARG  79          1HB       ARG  79   2.694  15.016   0.603
  633   1HG   ARG  79          2HG       ARG  79   0.995  16.467  -1.400
  634   2HG   ARG  79          1HG       ARG  79   0.478  14.972  -0.617
  635   1HD   ARG  79          2HD       ARG  79  -0.365  16.355   0.942
  636   2HD   ARG  79          1HD       ARG  79   1.297  16.414   1.524
  637    HE   ARG  79           HE       ARG  79   0.835  18.387  -0.467
  638   1HH1  ARG  79          1HH1      ARG  79   0.257  17.660   2.897
  639   2HH1  ARG  79          2HH1      ARG  79   0.162  19.323   3.371
  640   1HH2  ARG  79          1HH2      ARG  79   0.710  20.577   0.154
  641   2HH2  ARG  79          2HH2      ARG  79   0.419  20.980   1.814
  642    H    LYS  80           H        LYS  80   5.062  16.247  -2.614
  643    HA   LYS  80           HA       LYS  80   7.149  15.499  -3.046
  644   1HB   LYS  80          2HB       LYS  80   7.614  16.127  -0.126
  645   2HB   LYS  80          1HB       LYS  80   8.876  15.759  -1.294
  646   1HG   LYS  80          2HG       LYS  80   7.105  18.173  -1.156
  647   2HG   LYS  80          1HG       LYS  80   8.867  18.091  -1.125
  648   1HD   LYS  80          2HD       LYS  80   7.152  17.355  -3.505
  649   2HD   LYS  80          1HD       LYS  80   7.954  18.912  -3.284
  650   1HE   LYS  80          2HE       LYS  80   9.985  17.091  -2.878
  651   2HE   LYS  80          1HE       LYS  80   9.038  16.359  -4.173
  652   1HZ   LYS  80          1HZ       LYS  80  10.925  18.257  -4.511
  653   2HZ   LYS  80          2HZ       LYS  80   9.507  19.178  -4.527
  654   3HZ   LYS  80          3HZ       LYS  80   9.700  17.904  -5.622
  655    H    GLY  81           H        GLY  81   8.212  13.572  -3.114
  656   1HA   GLY  81          2HA       GLY  81   8.756  11.386  -2.427
  657   2HA   GLY  81          1HA       GLY  81   7.626  11.552  -1.090
  658    H    PHE  82           H        PHE  82   5.652  12.646  -3.233
  659    HA   PHE  82           HA       PHE  82   4.155  10.310  -3.568
  660   1HB   PHE  82          2HB       PHE  82   3.089  12.463  -3.693
  661   2HB   PHE  82          1HB       PHE  82   4.096  12.943  -5.055
  662    HD1  PHE  82           1HD      PHE  82   1.078  11.306  -4.015
  663    HD2  PHE  82           2HD      PHE  82   3.795  11.778  -7.254
  664    HE1  PHE  82           1HE      PHE  82  -0.626  10.453  -5.567
  665    HE2  PHE  82           2HE      PHE  82   2.091  10.927  -8.813
  666    HZ   PHE  82           HZ       PHE  82  -0.122  10.261  -7.966
  667    H    SER  83           H        SER  83   6.101  12.097  -5.955
  668    HA   SER  83           HA       SER  83   5.762  10.423  -8.127
  669   1HB   SER  83          2HB       SER  83   8.346  11.227  -8.465
  670   2HB   SER  83          1HB       SER  83   6.937  12.213  -8.851
  671    HG   SER  83           HG       SER  83   7.218  13.362  -7.039
  672    H    GLU  84           H        GLU  84   8.221  10.213  -5.562
  673    HA   GLU  84           HA       GLU  84   9.741   8.117  -6.483
  674   1HB   GLU  84          2HB       GLU  84   8.942   9.010  -3.742
  675   2HB   GLU  84          1HB       GLU  84   9.814   7.494  -3.919
  676   1HG   GLU  84          2HG       GLU  84  11.273   9.243  -5.463
  677   2HG   GLU  84          1HG       GLU  84  10.769  10.230  -4.092
  678    H    GLY  85           H        GLY  85   6.523   8.057  -5.107
  679   1HA   GLY  85          2HA       GLY  85   6.404   5.223  -4.774
  680   2HA   GLY  85          1HA       GLY  85   5.040   6.332  -4.746
  681    H    LEU  86           H        LEU  86   5.669   7.453  -7.370
  682    HA   LEU  86           HA       LEU  86   4.116   5.751  -8.975
  683   1HB   LEU  86          2HB       LEU  86   5.957   8.033  -9.676
  684   2HB   LEU  86          1HB       LEU  86   4.981   7.202 -10.870
  685    HG   LEU  86           HG       LEU  86   3.853   8.632  -8.464
  686   1HD1  LEU  86          1HD1      LEU  86   3.063  10.033 -10.674
  687   2HD1  LEU  86          2HD1      LEU  86   4.728   9.614 -11.072
  688   3HD1  LEU  86          3HD1      LEU  86   4.371  10.494  -9.587
  689   1HD2  LEU  86          1HD2      LEU  86   2.712   7.024 -10.668
  690   2HD2  LEU  86          2HD2      LEU  86   1.845   8.493 -10.223
  691   3HD2  LEU  86          3HD2      LEU  86   2.147   7.247  -9.012
  692    H    TRP  87           H        TRP  87   7.609   6.263  -8.800
  693    HA   TRP  87           HA       TRP  87   8.312   4.538 -10.929
  694   1HB   TRP  87          2HB       TRP  87   9.873   6.203 -10.097
  695   2HB   TRP  87          1HB       TRP  87   9.889   5.449  -8.506
  696    HD1  TRP  87           HD       TRP  87  11.481   5.236 -11.918
  697    HE1  TRP  87           1HE      TRP  87  13.288   3.407 -11.909
  698    HE3  TRP  87           3HE      TRP  87  10.453   3.108  -7.386
  699    HZ2  TRP  87           2HZ      TRP  87  14.159   1.325 -10.205
  700    HZ3  TRP  87           3HZ      TRP  87  11.819   1.201  -6.642
  701    HH2  TRP  87           HH       TRP  87  13.631   0.329  -8.023
  702    H    GLU  88           H        GLU  88   7.966   4.005  -7.432
  703    HA   GLU  88           HA       GLU  88   8.971   1.378  -7.379
  704   1HB   GLU  88          2HB       GLU  88   7.137   2.922  -5.561
  705   2HB   GLU  88          1HB       GLU  88   7.543   1.243  -5.237
  706   1HG   GLU  88          2HG       GLU  88   9.629   3.366  -5.620
  707   2HG   GLU  88          1HG       GLU  88   8.918   2.996  -4.051
  708    H    ILE  89           H        ILE  89   5.572   2.493  -7.419
  709    HA   ILE  89           HA       ILE  89   4.342   0.029  -7.430
  710    HB   ILE  89           HB       ILE  89   3.219   2.243  -7.231
  711   1HG1  ILE  89          2HG1      ILE  89   1.579   1.055  -9.314
  712   2HG1  ILE  89          1HG1      ILE  89   2.247  -0.164  -8.229
  713   1HG2  ILE  89          1HG2      ILE  89   3.320   3.750  -8.839
  714   2HG2  ILE  89          2HG2      ILE  89   2.555   2.636  -9.973
  715   3HG2  ILE  89          3HG2      ILE  89   4.309   2.647  -9.796
  716   1HD1  ILE  89          1HD1      ILE  89   0.552   0.307  -6.884
  717   2HD1  ILE  89          2HD1      ILE  89   0.150   1.774  -7.778
  718   3HD1  ILE  89          3HD1      ILE  89   1.393   1.817  -6.525
  719    H    GLU  90           H        GLU  90   6.076   1.577  -9.997
  720    HA   GLU  90           HA       GLU  90   5.060  -0.348 -11.953
  721   1HB   GLU  90          2HB       GLU  90   6.125   1.056 -13.640
  722   2HB   GLU  90          1HB       GLU  90   5.054   2.003 -12.616
  723   1HG   GLU  90          2HG       GLU  90   7.001   2.772 -11.328
  724   2HG   GLU  90          1HG       GLU  90   8.054   1.872 -12.420
  725    H    ASN  91           H        ASN  91   8.156   0.791 -10.605
  726    HA   ASN  91           HA       ASN  91   9.649  -1.173 -12.086
  727   1HB   ASN  91          2HB       ASN  91  10.368   0.911 -10.050
  728   2HB   ASN  91          1HB       ASN  91  11.539  -0.310 -10.538
  729   1HD2  ASN  91          1HD2      ASN  91   9.712   2.467 -11.519
  730   2HD2  ASN  91          2HD2      ASN  91  10.568   2.765 -12.990
  731    H    ASN  92           H        ASN  92   8.423  -0.868  -8.803
  732    HA   ASN  92           HA       ASN  92   8.881  -3.684  -8.379
  733   1HB   ASN  92          2HB       ASN  92  11.050  -2.636  -7.729
  734   2HB   ASN  92          1HB       ASN  92  10.191  -1.690  -6.518
  735   1HD2  ASN  92          1HD2      ASN  92  12.124  -3.100  -5.525
  736   2HD2  ASN  92          2HD2      ASN  92  11.571  -4.528  -4.726
  737    HA   PRO  93           HA       PRO  93   5.092  -2.100  -6.325
  738   1HB   PRO  93          2HB       PRO  93   3.477  -4.116  -7.086
  739   2HB   PRO  93          1HB       PRO  93   3.848  -2.755  -8.150
  740   1HG   PRO  93          2HG       PRO  93   5.023  -5.507  -8.115
  741   2HG   PRO  93          1HG       PRO  93   4.526  -4.521  -9.502
  742   1HD   PRO  93          2HD       PRO  93   7.118  -4.761  -8.684
  743   2HD   PRO  93          1HD       PRO  93   6.485  -3.324  -9.509
  744    H    THR  94           H        THR  94   7.037  -4.884  -6.003
  745    HA   THR  94           HA       THR  94   5.539  -5.787  -3.648
  746    HB   THR  94           HB       THR  94   6.742  -7.864  -3.817
  747    HG1  THR  94           1HG      THR  94   8.203  -6.662  -5.930
  748   1HG2  THR  94          1HG2      THR  94   6.004  -8.733  -5.868
  749   2HG2  THR  94          2HG2      THR  94   6.094  -7.159  -6.659
  750   3HG2  THR  94          3HG2      THR  94   4.853  -7.466  -5.443
  751    H    VAL  95           H        VAL  95   7.684  -3.513  -4.091
  752    HA   VAL  95           HA       VAL  95   9.926  -4.164  -2.544
  753    HB   VAL  95           HB       VAL  95   9.833  -2.181  -3.986
  754   1HG1  VAL  95          1HG1      VAL  95   7.507  -1.589  -2.378
  755   2HG1  VAL  95          2HG1      VAL  95   8.016  -0.900  -3.919
  756   3HG1  VAL  95          3HG1      VAL  95   8.631  -0.230  -2.409
  757   1HG2  VAL  95          1HG2      VAL  95  11.223  -2.436  -1.734
  758   2HG2  VAL  95          2HG2      VAL  95  10.283  -1.008  -1.299
  759   3HG2  VAL  95          3HG2      VAL  95  11.309  -0.985  -2.733
  760    H    LYS  96           H        LYS  96  10.450  -3.784  -0.395
  761    HA   LYS  96           HA       LYS  96   8.314  -2.969   1.426
  762   1HB   LYS  96          2HB       LYS  96   9.173  -5.683   1.066
  763   2HB   LYS  96          1HB       LYS  96   9.612  -5.150   2.684
  764   1HG   LYS  96          2HG       LYS  96   7.257  -4.416   3.011
  765   2HG   LYS  96          1HG       LYS  96   6.868  -5.143   1.450
  766   1HD   LYS  96          2HD       LYS  96   7.466  -7.320   2.239
  767   2HD   LYS  96          1HD       LYS  96   8.125  -6.654   3.734
  768   1HE   LYS  96          2HE       LYS  96   5.612  -5.688   3.847
  769   2HE   LYS  96          1HE       LYS  96   5.329  -7.183   2.959
  770   1HZ   LYS  96          1HZ       LYS  96   7.054  -7.577   5.201
  771   2HZ   LYS  96          2HZ       LYS  96   5.624  -8.380   4.792
  772   3HZ   LYS  96          3HZ       LYS  96   5.559  -6.935   5.668
  773    H    ALA  97           H        ALA  97   9.022  -2.079   3.356
  774    HA   ALA  97           HA       ALA  97  11.874  -1.398   3.407
  775   1HB   ALA  97          1HB       ALA  97   9.650   0.189   3.655
  776   2HB   ALA  97          2HB       ALA  97  11.287   0.631   4.141
  777   3HB   ALA  97          3HB       ALA  97  10.160  -0.026   5.330
  778    H    SER  98           H        SER  98  13.156  -1.731   5.200
  779    HA   SER  98           HA       SER  98  12.016  -2.968   7.571
  780   1HB   SER  98          2HB       SER  98  12.867  -4.658   5.626
  781   2HB   SER  98          1HB       SER  98  14.363  -4.437   6.532
  782    HG   SER  98           HG       SER  98  11.877  -5.163   7.692
  783    H    GLY  99           H        GLY  99  12.718  -1.222   8.769
  784   1HA   GLY  99          2HA       GLY  99  14.661  -0.937  10.334
  785   2HA   GLY  99          1HA       GLY  99  15.646  -0.837   8.883
  786    H    TYR 100           H        TYR 100  12.555   0.651   9.848
  787    HA   TYR 100           HA       TYR 100  13.686   3.253   9.074
  788   1HB   TYR 100          2HB       TYR 100  11.624   2.421   7.880
  789   2HB   TYR 100          1HB       TYR 100  10.763   2.563   9.408
  790    HD1  TYR 100           1HD      TYR 100  12.462   4.443   6.737
  791    HD2  TYR 100           2HD      TYR 100  10.066   4.687  10.242
  792    HE1  TYR 100           1HE      TYR 100  11.998   6.805   6.247
  793    HE2  TYR 100           2HE      TYR 100   9.593   7.049   9.762
  794    HH   TYR 100           HH       TYR 100   9.592   8.593   7.925
  795    H    GLN 101           H        GLN 101  14.278   4.532  10.683
  796    HA   GLN 101           HA       GLN 101  14.395   5.558  12.708
  797   1HB   GLN 101          2HB       GLN 101  11.941   5.988  12.016
  798   2HB   GLN 101          1HB       GLN 101  11.541   4.764  13.212
  799   1HG   GLN 101          2HG       GLN 101  13.359   6.791  14.230
  800   2HG   GLN 101          1HG       GLN 101  11.823   7.453  13.675
  801   1HE2  GLN 101          1HE2      GLN 101   9.899   6.751  14.660
  802   2HE2  GLN 101          2HE2      GLN 101   9.904   6.030  16.230
  803    H    SER 102           H        SER 102  15.760   4.387  13.934
  804    HA   SER 102           HA       SER 102  14.569   2.318  15.652
  805   1HB   SER 102          2HB       SER 102  16.889   2.109  13.835
  806   2HB   SER 102          1HB       SER 102  17.138   1.449  15.452
  807    HG   SER 102           HG       SER 102  15.922  -0.170  14.924
  808    H    SER 103           H        SER 103  14.945   2.577  17.762
  809    HA   SER 103           HA       SER 103  17.129   4.378  18.579
  810   1HB   SER 103          2HB       SER 103  14.373   4.211  19.823
  811   2HB   SER 103          1HB       SER 103  15.693   5.242  20.373
  812    HG   SER 103           HG       SER 103  15.406   6.541  18.693
  813    H    GLN 104           H        GLN 104  17.123   4.149  21.228
  814    HA   GLN 104           HA       GLN 104  17.805   2.854  22.967
  815   1HB   GLN 104          2HB       GLN 104  15.647   1.322  21.696
  816   2HB   GLN 104          1HB       GLN 104  16.764   0.334  22.630
  817   1HG   GLN 104          2HG       GLN 104  16.384   1.747  24.584
  818   2HG   GLN 104          1HG       GLN 104  15.264   2.736  23.649
  819   1HE2  GLN 104          1HE2      GLN 104  13.736   1.022  22.334
  820   2HE2  GLN 104          2HE2      GLN 104  12.881  -0.026  23.409
  821    H    LYS 105           H        LYS 105  19.908   2.422  22.944
  822    HA   LYS 105           HA       LYS 105  21.897   1.390  22.558
  823   1HB   LYS 105          2HB       LYS 105  20.193  -0.867  21.486
  824   2HB   LYS 105          1HB       LYS 105  21.885  -0.979  21.956
  825   1HG   LYS 105          2HG       LYS 105  20.553   0.070  24.182
  826   2HG   LYS 105          1HG       LYS 105  19.523  -1.223  23.567
  827   1HD   LYS 105          2HD       LYS 105  21.383  -2.780  23.647
  828   2HD   LYS 105          1HD       LYS 105  22.469  -1.489  24.166
  829   1HE   LYS 105          2HE       LYS 105  20.865  -1.197  26.143
  830   2HE   LYS 105          1HE       LYS 105  20.212  -2.767  25.679
  831   1HZ   LYS 105          1HZ       LYS 105  22.044  -2.725  27.417
  832   2HZ   LYS 105          2HZ       LYS 105  23.104  -2.373  26.147
  833   3HZ   LYS 105          3HZ       LYS 105  22.226  -3.818  26.139
  834    H    LYS 106           H        LYS 106  23.270   2.007  21.038
  835    HA   LYS 106           HA       LYS 106  22.634   1.490  18.227
  836   1HB   LYS 106          2HB       LYS 106  22.622   4.075  19.467
  837   2HB   LYS 106          1HB       LYS 106  23.943   4.002  18.310
  838   1HG   LYS 106          2HG       LYS 106  22.488   3.546  16.519
  839   2HG   LYS 106          1HG       LYS 106  21.145   3.175  17.604
  840   1HD   LYS 106          2HD       LYS 106  21.125   5.526  18.343
  841   2HD   LYS 106          1HD       LYS 106  22.426   5.880  17.203
  842   1HE   LYS 106          2HE       LYS 106  21.058   5.701  15.375
  843   2HE   LYS 106          1HE       LYS 106  19.960   4.574  16.171
  844   1HZ   LYS 106          1HZ       LYS 106  20.126   7.346  17.135
  845   2HZ   LYS 106          2HZ       LYS 106  18.828   6.264  17.200
  846   3HZ   LYS 106          3HZ       LYS 106  19.232   7.010  15.738
  847    H    SER 107           H        SER 107  25.132   2.932  20.329
  848    HA   SER 107           HA       SER 107  27.199   1.698  18.668
  849   1HB   SER 107          2HB       SER 107  27.092   3.992  20.544
  850   2HB   SER 107          1HB       SER 107  28.603   3.083  20.515
  851    HG   SER 107           HG       SER 107  27.331   4.031  18.169
  852    H    CYS 108           H        CYS 108  25.778   1.521  21.850
  853    HA   CYS 108           HA       CYS 108  26.011   0.040  23.559
  854   1HB   CYS 108          2HB       CYS 108  26.615  -1.453  21.150
  855   2HB   CYS 108          1HB       CYS 108  27.516  -2.084  22.524
  856    HG   CYS 108           HG       CYS 108  25.179  -2.419  23.734
  857    H    ALA 109           H        ALA 109  27.732  -1.266  24.825
  858    HA   ALA 109           HA       ALA 109  30.298   0.176  24.670
  859   1HB   ALA 109          1HB       ALA 109  29.643  -0.849  27.312
  860   2HB   ALA 109          2HB       ALA 109  28.464   0.322  26.722
  861   3HB   ALA 109          3HB       ALA 109  30.169   0.760  26.819
  862    H    GLU 110           H        GLU 110  32.021  -1.051  26.034
  863    HA   GLU 110           HA       GLU 110  31.763  -3.932  25.976
  864   1HB   GLU 110          2HB       GLU 110  32.525  -2.957  23.640
  865   2HB   GLU 110          1HB       GLU 110  34.087  -2.855  24.440
  866   1HG   GLU 110          2HG       GLU 110  32.647  -5.421  24.678
  867   2HG   GLU 110          1HG       GLU 110  33.268  -5.002  23.082
  Start of MODEL   24
    1   1H    MET   1          1HT       MET   1 -27.523  -6.019 -14.139
    2   2H    MET   1          2HT       MET   1 -25.867  -5.850 -14.555
    3   3H    MET   1          3HT       MET   1 -26.523  -7.407 -14.254
    4    HA   MET   1           HA       MET   1 -27.882  -7.278 -16.155
    5   1HB   MET   1          2HB       MET   1 -28.262  -4.822 -15.937
    6   2HB   MET   1          1HB       MET   1 -26.642  -4.549 -16.564
    7   1HG   MET   1          2HG       MET   1 -27.592  -6.085 -18.525
    8   2HG   MET   1          1HG       MET   1 -29.106  -5.381 -17.962
    9   1HE   MET   1          1HE       MET   1 -29.479  -2.782 -20.143
   10   2HE   MET   1          2HE       MET   1 -29.727  -4.505 -19.856
   11   3HE   MET   1          3HE       MET   1 -28.599  -3.971 -21.103
   12    H    SER   2           H        SER   2 -24.808  -5.477 -16.411
   13    HA   SER   2           HA       SER   2 -23.674  -7.762 -17.868
   14   1HB   SER   2          2HB       SER   2 -24.281  -6.215 -19.600
   15   2HB   SER   2          1HB       SER   2 -23.584  -4.860 -18.712
   16    HG   SER   2           HG       SER   2 -22.167  -7.066 -19.804
   17    H    ARG   3           H        ARG   3 -22.904  -4.610 -16.401
   18    HA   ARG   3           HA       ARG   3 -20.490  -5.847 -15.252
   19   1HB   ARG   3          2HB       ARG   3 -20.767  -3.434 -16.883
   20   2HB   ARG   3          1HB       ARG   3 -19.908  -3.149 -15.375
   21   1HG   ARG   3          2HG       ARG   3 -19.132  -5.479 -17.058
   22   2HG   ARG   3          1HG       ARG   3 -18.628  -3.859 -17.542
   23   1HD   ARG   3          2HD       ARG   3 -17.214  -3.622 -15.779
   24   2HD   ARG   3          1HD       ARG   3 -18.214  -4.599 -14.707
   25    HE   ARG   3           HE       ARG   3 -17.046  -6.464 -15.354
   26   1HH1  ARG   3          1HH1      ARG   3 -16.309  -3.840 -17.535
   27   2HH1  ARG   3          2HH1      ARG   3 -15.014  -4.685 -18.312
   28   1HH2  ARG   3          1HH2      ARG   3 -15.341  -7.575 -16.375
   29   2HH2  ARG   3          2HH2      ARG   3 -14.464  -6.806 -17.655
   30    H    SER   4           H        SER   4 -19.651  -3.943 -13.555
   31    HA   SER   4           HA       SER   4 -21.861  -3.795 -11.635
   32   1HB   SER   4          2HB       SER   4 -19.239  -4.676 -11.359
   33   2HB   SER   4          1HB       SER   4 -19.233  -3.088 -10.594
   34    HG   SER   4           HG       SER   4 -21.014  -3.791  -9.329
   35    H    ASN   5           H        ASN   5 -21.265  -1.874  -9.956
   36    HA   ASN   5           HA       ASN   5 -20.654   0.569 -11.439
   37   1HB   ASN   5          2HB       ASN   5 -23.261  -0.151 -11.144
   38   2HB   ASN   5          1HB       ASN   5 -23.015   0.796  -9.680
   39   1HD2  ASN   5          1HD2      ASN   5 -22.620   2.982  -9.833
   40   2HD2  ASN   5          2HD2      ASN   5 -22.849   3.871 -11.296
   41    H    ARG   6           H        ARG   6 -21.986  -0.358  -8.260
   42    HA   ARG   6           HA       ARG   6 -19.744   1.091  -7.012
   43   1HB   ARG   6          2HB       ARG   6 -22.568   0.868  -5.953
   44   2HB   ARG   6          1HB       ARG   6 -21.240   1.733  -5.192
   45   1HG   ARG   6          2HG       ARG   6 -22.133   2.446  -7.955
   46   2HG   ARG   6          1HG       ARG   6 -22.991   3.056  -6.539
   47   1HD   ARG   6          2HD       ARG   6 -20.033   3.380  -7.029
   48   2HD   ARG   6          1HD       ARG   6 -21.248   4.605  -7.392
   49    HE   ARG   6           HE       ARG   6 -20.122   4.023  -4.848
   50   1HH1  ARG   6          1HH1      ARG   6 -23.071   5.048  -6.407
   51   2HH1  ARG   6          2HH1      ARG   6 -23.656   5.901  -5.019
   52   1HH2  ARG   6          1HH2      ARG   6 -20.889   5.146  -3.021
   53   2HH2  ARG   6          2HH2      ARG   6 -22.417   5.959  -3.097
   54    H    GLN   7           H        GLN   7 -20.189  -1.805  -7.707
   55    HA   GLN   7           HA       GLN   7 -19.746  -2.885  -5.004
   56   1HB   GLN   7          2HB       GLN   7 -21.924  -3.514  -6.443
   57   2HB   GLN   7          1HB       GLN   7 -20.804  -4.699  -7.102
   58   1HG   GLN   7          2HG       GLN   7 -21.587  -5.938  -5.396
   59   2HG   GLN   7          1HG       GLN   7 -20.334  -5.077  -4.502
   60   1HE2  GLN   7          1HE2      GLN   7 -23.026  -6.243  -3.788
   61   2HE2  GLN   7          2HE2      GLN   7 -23.831  -4.966  -2.948
   62    H    LYS   8           H        LYS   8 -17.599  -3.171  -4.923
   63    HA   LYS   8           HA       LYS   8 -16.383  -4.885  -6.961
   64   1HB   LYS   8          2HB       LYS   8 -14.325  -3.398  -6.860
   65   2HB   LYS   8          1HB       LYS   8 -15.706  -2.757  -7.739
   66   1HG   LYS   8          2HG       LYS   8 -16.200  -1.205  -6.084
   67   2HG   LYS   8          1HG       LYS   8 -15.277  -2.077  -4.858
   68   1HD   LYS   8          2HD       LYS   8 -13.405  -0.979  -5.366
   69   2HD   LYS   8          1HD       LYS   8 -13.609  -1.290  -7.092
   70   1HE   LYS   8          2HE       LYS   8 -13.630   1.063  -6.826
   71   2HE   LYS   8          1HE       LYS   8 -15.301   0.577  -7.111
   72   1HZ   LYS   8          1HZ       LYS   8 -14.204   1.947  -4.895
   73   2HZ   LYS   8          2HZ       LYS   8 -14.915   0.505  -4.368
   74   3HZ   LYS   8          3HZ       LYS   8 -15.828   1.625  -5.248
   75    H    GLU   9           H        GLU   9 -14.012  -5.378  -6.208
   76    HA   GLU   9           HA       GLU   9 -13.684  -5.516  -3.339
   77   1HB   GLU   9          2HB       GLU   9 -14.517  -7.844  -4.975
   78   2HB   GLU   9          1HB       GLU   9 -13.230  -8.131  -3.811
   79   1HG   GLU   9          2HG       GLU   9 -14.659  -7.289  -2.020
   80   2HG   GLU   9          1HG       GLU   9 -15.949  -7.001  -3.186
   81    H    TYR  10           H        TYR  10 -11.558  -5.799  -2.733
   82    HA   TYR  10           HA       TYR  10  -9.609  -6.033  -4.941
   83   1HB   TYR  10          2HB       TYR  10  -9.316  -4.496  -2.347
   84   2HB   TYR  10          1HB       TYR  10  -8.107  -4.605  -3.623
   85    HD1  TYR  10           1HD      TYR  10 -11.160  -2.992  -2.517
   86    HD2  TYR  10           2HD      TYR  10  -8.521  -3.514  -5.811
   87    HE1  TYR  10           1HE      TYR  10 -12.158  -1.034  -3.620
   88    HE2  TYR  10           2HE      TYR  10  -9.510  -1.557  -6.922
   89    HH   TYR  10           HH       TYR  10 -11.474   0.656  -5.343
   90    H    LYS  11           H        LYS  11  -7.517  -6.991  -4.347
   91    HA   LYS  11           HA       LYS  11  -7.629  -8.742  -2.003
   92   1HB   LYS  11          2HB       LYS  11  -6.982  -9.644  -4.812
   93   2HB   LYS  11          1HB       LYS  11  -6.775 -10.629  -3.371
   94   1HG   LYS  11          2HG       LYS  11  -9.458  -9.494  -3.704
   95   2HG   LYS  11          1HG       LYS  11  -8.973 -10.642  -4.953
   96   1HD   LYS  11          2HD       LYS  11  -8.163 -11.784  -2.528
   97   2HD   LYS  11          1HD       LYS  11  -9.773 -11.127  -2.226
   98   1HE   LYS  11          2HE       LYS  11  -9.069 -12.917  -4.548
   99   2HE   LYS  11          1HE       LYS  11  -9.770 -13.483  -3.031
  100   1HZ   LYS  11          1HZ       LYS  11 -11.017 -12.065  -5.233
  101   2HZ   LYS  11          2HZ       LYS  11 -11.481 -11.551  -3.690
  102   3HZ   LYS  11          3HZ       LYS  11 -11.684 -13.170  -4.137
  103    H    CYS  12           H        CYS  12  -5.515  -9.686  -1.450
  104    HA   CYS  12           HA       CYS  12  -3.517  -7.797  -1.202
  105   1HB   CYS  12          2HB       CYS  12  -3.892 -10.213  -0.134
  106   2HB   CYS  12          1HB       CYS  12  -2.688 -10.656  -1.340
  107    HG   CYS  12           HG       CYS  12  -0.929  -9.424  -0.081
  108    H    GLY  13           H        GLY  13  -2.060  -6.953  -2.591
  109   1HA   GLY  13          2HA       GLY  13  -0.283  -7.269  -4.187
  110   2HA   GLY  13          1HA       GLY  13  -1.209  -8.587  -4.885
  111    H    ASP  14           H        ASP  14  -3.628  -6.636  -4.536
  112    HA   ASP  14           HA       ASP  14  -3.587  -5.719  -7.233
  113   1HB   ASP  14          2HB       ASP  14  -5.535  -6.089  -5.210
  114   2HB   ASP  14          1HB       ASP  14  -5.631  -4.403  -5.705
  115    H    LEU  15           H        LEU  15  -3.296  -3.694  -8.063
  116    HA   LEU  15           HA       LEU  15  -2.010  -1.763  -6.293
  117   1HB   LEU  15          2HB       LEU  15  -2.317  -1.650  -9.294
  118   2HB   LEU  15          1HB       LEU  15  -1.265  -0.653  -8.308
  119    HG   LEU  15           HG       LEU  15  -0.979  -3.627  -8.748
  120   1HD1  LEU  15          1HD1      LEU  15   0.167  -3.093 -10.566
  121   2HD1  LEU  15          2HD1      LEU  15   1.295  -2.174  -9.569
  122   3HD1  LEU  15          3HD1      LEU  15  -0.112  -1.376 -10.272
  123   1HD2  LEU  15          1HD2      LEU  15   1.251  -2.155  -7.567
  124   2HD2  LEU  15          2HD2      LEU  15   0.560  -3.716  -7.126
  125   3HD2  LEU  15          3HD2      LEU  15  -0.177  -2.228  -6.537
  126    H    VAL  16           H        VAL  16  -3.138  -0.185  -5.420
  127    HA   VAL  16           HA       VAL  16  -5.323   1.030  -6.946
  128    HB   VAL  16           HB       VAL  16  -6.743   1.112  -4.921
  129   1HG1  VAL  16          1HG1      VAL  16  -6.278  -1.061  -6.650
  130   2HG1  VAL  16          2HG1      VAL  16  -7.752  -0.673  -5.766
  131   3HG1  VAL  16          3HG1      VAL  16  -6.548  -1.740  -5.045
  132   1HG2  VAL  16          1HG2      VAL  16  -5.854  -0.958  -3.343
  133   2HG2  VAL  16          2HG2      VAL  16  -5.709   0.760  -2.971
  134   3HG2  VAL  16          3HG2      VAL  16  -4.368  -0.092  -3.736
  135    H    PHE  17           H        PHE  17  -6.168   3.008  -5.750
  136    HA   PHE  17           HA       PHE  17  -3.872   4.527  -4.688
  137   1HB   PHE  17          2HB       PHE  17  -6.162   5.277  -6.465
  138   2HB   PHE  17          1HB       PHE  17  -5.474   6.508  -5.409
  139    HD1  PHE  17           1HD      PHE  17  -5.405   5.431  -8.616
  140    HD2  PHE  17           2HD      PHE  17  -2.725   6.238  -5.422
  141    HE1  PHE  17           1HE      PHE  17  -3.598   5.808 -10.237
  142    HE2  PHE  17           2HE      PHE  17  -0.908   6.614  -7.028
  143    HZ   PHE  17           HZ       PHE  17  -1.340   6.404  -9.446
  144    H    ALA  18           H        ALA  18  -4.074   5.530  -2.717
  145    HA   ALA  18           HA       ALA  18  -6.629   5.134  -1.319
  146   1HB   ALA  18          1HB       ALA  18  -5.535   4.357   0.467
  147   2HB   ALA  18          2HB       ALA  18  -4.307   5.619   0.374
  148   3HB   ALA  18          3HB       ALA  18  -4.158   4.172  -0.621
  149    H    LYS  19           H        LYS  19  -7.714   6.857  -0.670
  150    HA   LYS  19           HA       LYS  19  -6.465   9.478  -0.899
  151   1HB   LYS  19          2HB       LYS  19  -8.727   8.940  -1.919
  152   2HB   LYS  19          1HB       LYS  19  -9.356   8.882  -0.277
  153   1HG   LYS  19          2HG       LYS  19  -9.854  11.031  -1.071
  154   2HG   LYS  19          1HG       LYS  19  -8.465  11.236  -0.001
  155   1HD   LYS  19          2HD       LYS  19  -7.083  10.956  -2.190
  156   2HD   LYS  19          1HD       LYS  19  -8.599  11.381  -2.985
  157   1HE   LYS  19          2HE       LYS  19  -7.321  13.034  -0.816
  158   2HE   LYS  19          1HE       LYS  19  -7.060  13.308  -2.538
  159   1HZ   LYS  19          1HZ       LYS  19  -9.809  13.195  -1.508
  160   2HZ   LYS  19          2HZ       LYS  19  -9.195  14.041  -2.838
  161   3HZ   LYS  19          3HZ       LYS  19  -8.902  14.603  -1.270
  162    H    MET  20           H        MET  20  -5.914  10.706   0.774
  163    HA   MET  20           HA       MET  20  -6.882   9.955   3.452
  164   1HB   MET  20          2HB       MET  20  -4.061  10.649   2.631
  165   2HB   MET  20          1HB       MET  20  -4.600  10.620   4.304
  166   1HG   MET  20          2HG       MET  20  -5.331   8.175   3.004
  167   2HG   MET  20          1HG       MET  20  -3.615   8.494   2.768
  168   1HE   MET  20          1HE       MET  20  -2.055   7.915   3.936
  169   2HE   MET  20          2HE       MET  20  -2.311   6.609   5.091
  170   3HE   MET  20          3HE       MET  20  -1.836   8.209   5.660
  171    H    LYS  21           H        LYS  21  -7.127  11.650   4.940
  172    HA   LYS  21           HA       LYS  21  -7.902  14.137   3.826
  173   1HB   LYS  21          2HB       LYS  21  -8.090  14.827   6.261
  174   2HB   LYS  21          1HB       LYS  21  -9.044  13.431   5.776
  175   1HG   LYS  21          2HG       LYS  21  -7.864  12.002   7.066
  176   2HG   LYS  21          1HG       LYS  21  -6.347  12.874   6.840
  177   1HD   LYS  21          2HD       LYS  21  -6.919  14.488   8.467
  178   2HD   LYS  21          1HD       LYS  21  -8.606  13.970   8.497
  179   1HE   LYS  21          2HE       LYS  21  -8.180  12.198   9.850
  180   2HE   LYS  21          1HE       LYS  21  -6.575  11.928   9.172
  181   1HZ   LYS  21          1HZ       LYS  21  -7.288  14.129  11.035
  182   2HZ   LYS  21          2HZ       LYS  21  -5.745  13.794  10.431
  183   3HZ   LYS  21          3HZ       LYS  21  -6.498  12.700  11.477
  184    H    GLY  22           H        GLY  22  -6.422  15.477   2.974
  185   1HA   GLY  22          2HA       GLY  22  -4.900  17.286   3.566
  186   2HA   GLY  22          1HA       GLY  22  -4.103  16.171   4.664
  187    H    TYR  23           H        TYR  23  -4.685  14.263   2.135
  188    HA   TYR  23           HA       TYR  23  -2.441  15.173   0.486
  189   1HB   TYR  23          2HB       TYR  23  -2.522  12.280   1.268
  190   2HB   TYR  23          1HB       TYR  23  -1.160  13.247   0.718
  191    HD1  TYR  23           1HD      TYR  23  -2.632  11.708   3.500
  192    HD2  TYR  23           2HD      TYR  23  -0.462  15.193   2.385
  193    HE1  TYR  23           1HE      TYR  23  -1.910  11.997   5.832
  194    HE2  TYR  23           2HE      TYR  23   0.267  15.491   4.715
  195    HH   TYR  23           HH       TYR  23   0.166  13.176   6.983
  196    HA   PRO  24           HA       PRO  24  -4.987  13.535  -2.733
  197   1HB   PRO  24          2HB       PRO  24  -3.252  13.392  -4.755
  198   2HB   PRO  24          1HB       PRO  24  -3.675  14.948  -4.030
  199   1HG   PRO  24          2HG       PRO  24  -1.232  13.273  -3.635
  200   2HG   PRO  24          1HG       PRO  24  -1.375  15.035  -3.767
  201   1HD   PRO  24          2HD       PRO  24  -1.157  13.616  -1.386
  202   2HD   PRO  24          1HD       PRO  24  -1.777  15.270  -1.538
  203    H    HIS  25           H        HIS  25  -5.110  11.756  -4.403
  204    HA   HIS  25           HA       HIS  25  -4.984   9.242  -3.300
  205   1HB   HIS  25          2HB       HIS  25  -4.804  10.079  -6.200
  206   2HB   HIS  25          1HB       HIS  25  -4.999   8.406  -5.690
  207    HD1  HIS  25           1HD      HIS  25  -6.806  11.727  -5.509
  208    HD2  HIS  25           2HD      HIS  25  -7.579   7.658  -5.190
  209    HE1  HIS  25           1HE      HIS  25  -9.310  11.527  -5.381
  210    HE2  HIS  25           2HE      HIS  25  -9.758   9.050  -5.272
  211    H    TRP  26           H        TRP  26  -3.224   8.226  -2.500
  212    HA   TRP  26           HA       TRP  26  -0.632   8.630  -3.798
  213   1HB   TRP  26          2HB       TRP  26  -1.197   8.821  -1.205
  214   2HB   TRP  26          1HB       TRP  26  -0.891   7.089  -1.263
  215    HD1  TRP  26           HD       TRP  26   1.637   6.412  -2.317
  216    HE1  TRP  26           1HE      TRP  26   3.887   7.601  -1.889
  217    HE3  TRP  26           3HE      TRP  26  -0.109  10.955  -0.749
  218    HZ2  TRP  26           2HZ      TRP  26   4.786  10.128  -1.016
  219    HZ3  TRP  26           3HZ      TRP  26   1.498  12.694  -0.143
  220    HH2  TRP  26           HH       TRP  26   3.886  12.292  -0.273
  221    HA   PRO  27           HA       PRO  27  -0.930   4.652  -5.801
  222   1HB   PRO  27          2HB       PRO  27   1.814   4.248  -6.000
  223   2HB   PRO  27          1HB       PRO  27   0.827   5.119  -7.177
  224   1HG   PRO  27          2HG       PRO  27   2.538   6.186  -4.976
  225   2HG   PRO  27          1HG       PRO  27   2.283   6.820  -6.611
  226   1HD   PRO  27          2HD       PRO  27   1.092   7.930  -4.484
  227   2HD   PRO  27          1HD       PRO  27   0.259   7.809  -6.048
  228    H    ALA  28           H        ALA  28  -1.413   2.889  -4.670
  229    HA   ALA  28           HA       ALA  28   0.518   1.899  -2.707
  230   1HB   ALA  28          1HB       ALA  28  -1.897   3.215  -2.028
  231   2HB   ALA  28          2HB       ALA  28  -0.708   2.470  -0.956
  232   3HB   ALA  28          3HB       ALA  28  -2.054   1.514  -1.580
  233    H    ARG  29           H        ARG  29  -0.348  -0.249  -1.757
  234    HA   ARG  29           HA       ARG  29  -1.771  -1.833  -3.764
  235   1HB   ARG  29          2HB       ARG  29   0.689  -1.983  -4.213
  236   2HB   ARG  29          1HB       ARG  29   0.891  -2.678  -2.612
  237   1HG   ARG  29          2HG       ARG  29  -0.786  -4.455  -3.387
  238   2HG   ARG  29          1HG       ARG  29  -0.453  -3.855  -5.013
  239   1HD   ARG  29          2HD       ARG  29   1.288  -5.243  -5.041
  240   2HD   ARG  29          1HD       ARG  29   2.057  -4.160  -3.881
  241    HE   ARG  29           HE       ARG  29   0.436  -5.889  -2.436
  242   1HH1  ARG  29          1HH1      ARG  29   3.254  -6.087  -4.484
  243   2HH1  ARG  29          2HH1      ARG  29   3.886  -7.490  -3.691
  244   1HH2  ARG  29          1HH2      ARG  29   1.265  -7.736  -1.392
  245   2HH2  ARG  29          2HH2      ARG  29   2.757  -8.427  -1.936
  246    H    ILE  30           H        ILE  30  -2.594  -3.858  -2.936
  247    HA   ILE  30           HA       ILE  30  -3.312  -3.684  -0.130
  248    HB   ILE  30           HB       ILE  30  -4.009  -5.905  -2.051
  249   1HG1  ILE  30          2HG1      ILE  30  -4.649  -3.671  -2.962
  250   2HG1  ILE  30          1HG1      ILE  30  -6.031  -4.705  -2.614
  251   1HG2  ILE  30          1HG2      ILE  30  -4.518  -6.574   0.134
  252   2HG2  ILE  30          2HG2      ILE  30  -6.046  -5.979  -0.516
  253   3HG2  ILE  30          3HG2      ILE  30  -5.104  -4.972   0.582
  254   1HD1  ILE  30          1HD1      ILE  30  -6.525  -2.478  -1.909
  255   2HD1  ILE  30          2HD1      ILE  30  -5.035  -2.395  -0.968
  256   3HD1  ILE  30          3HD1      ILE  30  -6.329  -3.489  -0.477
  257    H    ASP  31           H        ASP  31  -1.958  -4.467   1.377
  258    HA   ASP  31           HA       ASP  31  -0.277  -6.766   0.671
  259   1HB   ASP  31          2HB       ASP  31   0.576  -4.381   1.547
  260   2HB   ASP  31          1HB       ASP  31   0.336  -5.177   3.099
  261    H    GLU  32           H        GLU  32  -2.936  -5.883   2.630
  262    HA   GLU  32           HA       GLU  32  -3.012  -8.503   3.778
  263   1HB   GLU  32          2HB       GLU  32  -1.646  -6.535   5.243
  264   2HB   GLU  32          1HB       GLU  32  -3.208  -6.715   6.030
  265   1HG   GLU  32          2HG       GLU  32  -1.844  -9.224   5.334
  266   2HG   GLU  32          1HG       GLU  32  -1.054  -8.237   6.564
  267    H    MET  33           H        MET  33  -4.995  -8.987   4.797
  268    HA   MET  33           HA       MET  33  -7.050  -6.956   4.937
  269   1HB   MET  33          2HB       MET  33  -8.583  -8.276   3.439
  270   2HB   MET  33          1HB       MET  33  -7.263  -7.450   2.621
  271   1HG   MET  33          2HG       MET  33  -6.043  -9.482   2.380
  272   2HG   MET  33          1HG       MET  33  -7.181 -10.350   3.409
  273   1HE   MET  33          1HE       MET  33  -7.182  -8.116   0.061
  274   2HE   MET  33          2HE       MET  33  -8.536  -7.671   1.098
  275   3HE   MET  33          3HE       MET  33  -8.832  -8.485  -0.436
  276    HA   PRO  34           HA       PRO  34  -8.565  -9.729   8.029
  277   1HB   PRO  34          2HB       PRO  34 -11.109  -8.922   8.281
  278   2HB   PRO  34          1HB       PRO  34  -9.760  -7.877   8.742
  279   1HG   PRO  34          2HG       PRO  34 -11.428  -7.835   6.260
  280   2HG   PRO  34          1HG       PRO  34 -10.835  -6.478   7.235
  281   1HD   PRO  34          2HD       PRO  34  -9.661  -7.341   4.900
  282   2HD   PRO  34          1HD       PRO  34  -8.808  -6.456   6.180
  283    H    GLU  35           H        GLU  35 -10.035 -11.490   8.452
  284    HA   GLU  35           HA       GLU  35 -10.701 -12.949   6.054
  285   1HB   GLU  35          2HB       GLU  35  -9.705 -13.824   8.336
  286   2HB   GLU  35          1HB       GLU  35 -11.402 -13.942   8.779
  287   1HG   GLU  35          2HG       GLU  35 -11.104 -16.025   7.946
  288   2HG   GLU  35          1HG       GLU  35 -11.547 -15.194   6.456
  289    H    ALA  36           H        ALA  36 -12.361 -11.415   8.712
  290    HA   ALA  36           HA       ALA  36 -14.744 -11.023   7.220
  291   1HB   ALA  36          1HB       ALA  36 -14.637 -13.534   8.269
  292   2HB   ALA  36          2HB       ALA  36 -16.125 -12.654   7.919
  293   3HB   ALA  36          3HB       ALA  36 -15.462 -12.649   9.554
  294    H    ALA  37           H        ALA  37 -13.211 -11.245  10.367
  295    HA   ALA  37           HA       ALA  37 -13.898  -8.549  11.021
  296   1HB   ALA  37          1HB       ALA  37 -14.920  -9.557  13.294
  297   2HB   ALA  37          2HB       ALA  37 -15.463 -10.785  12.151
  298   3HB   ALA  37          3HB       ALA  37 -15.909  -9.096  11.909
  299    H    VAL  38           H        VAL  38 -12.880 -11.688  12.309
  300    HA   VAL  38           HA       VAL  38 -11.229 -12.318  13.716
  301    HB   VAL  38           HB       VAL  38  -9.041 -11.547  13.207
  302   1HG1  VAL  38          1HG1      VAL  38 -10.885 -11.557  10.837
  303   2HG1  VAL  38          2HG1      VAL  38  -9.868 -12.863  11.446
  304   3HG1  VAL  38          3HG1      VAL  38  -9.133 -11.465  10.663
  305   1HG2  VAL  38          1HG2      VAL  38  -9.796  -9.059  13.327
  306   2HG2  VAL  38          2HG2      VAL  38 -10.045  -9.241  11.593
  307   3HG2  VAL  38          3HG2      VAL  38  -8.446  -9.508  12.286
  308    H    LYS  39           H        LYS  39 -13.083 -10.116  14.608
  309    HA   LYS  39           HA       LYS  39 -13.311  -8.573  16.282
  310   1HB   LYS  39          2HB       LYS  39 -11.471 -10.340  17.860
  311   2HB   LYS  39          1HB       LYS  39 -12.924  -9.506  18.391
  312   1HG   LYS  39          2HG       LYS  39 -14.261 -11.197  17.790
  313   2HG   LYS  39          1HG       LYS  39 -13.390 -11.485  16.281
  314   1HD   LYS  39          2HD       LYS  39 -11.734 -12.216  18.506
  315   2HD   LYS  39          1HD       LYS  39 -13.304 -13.004  18.656
  316   1HE   LYS  39          2HE       LYS  39 -12.356 -13.127  15.937
  317   2HE   LYS  39          1HE       LYS  39 -11.154 -13.783  17.046
  318   1HZ   LYS  39          1HZ       LYS  39 -12.478 -15.505  17.612
  319   2HZ   LYS  39          2HZ       LYS  39 -13.136 -15.225  16.079
  320   3HZ   LYS  39          3HZ       LYS  39 -13.914 -14.622  17.455
  321    H    SER  40           H        SER  40 -11.718  -7.265  14.780
  322    HA   SER  40           HA       SER  40 -10.178  -5.632  16.412
  323   1HB   SER  40          2HB       SER  40  -7.870  -6.232  15.514
  324   2HB   SER  40          1HB       SER  40  -8.552  -7.342  16.701
  325    HG   SER  40           HG       SER  40  -8.041  -7.713  14.001
  326    H    THR  41           H        THR  41 -10.278  -7.033  13.152
  327    HA   THR  41           HA       THR  41  -9.487  -4.560  11.907
  328    HB   THR  41           HB       THR  41  -9.950  -5.762   9.789
  329    HG1  THR  41           1HG      THR  41 -11.673  -7.071  10.789
  330   1HG2  THR  41          1HG2      THR  41  -8.325  -7.301  11.794
  331   2HG2  THR  41          2HG2      THR  41  -7.754  -6.070  10.668
  332   3HG2  THR  41          3HG2      THR  41  -8.335  -7.620  10.060
  333    H    ALA  42           H        ALA  42 -10.908  -2.926  12.126
  334    HA   ALA  42           HA       ALA  42 -13.736  -3.285  12.102
  335   1HB   ALA  42          1HB       ALA  42 -12.399  -0.650  11.644
  336   2HB   ALA  42          2HB       ALA  42 -12.331  -1.427  13.227
  337   3HB   ALA  42          3HB       ALA  42 -13.890  -1.007  12.516
  338    H    ASN  43           H        ASN  43 -13.037  -4.516   9.861
  339    HA   ASN  43           HA       ASN  43 -13.333  -4.639   7.630
  340   1HB   ASN  43          2HB       ASN  43 -15.493  -3.203   8.671
  341   2HB   ASN  43          1HB       ASN  43 -14.995  -2.296   7.247
  342   1HD2  ASN  43          1HD2      ASN  43 -17.060  -2.918   6.381
  343   2HD2  ASN  43          2HD2      ASN  43 -17.250  -4.472   5.652
  344    H    LYS  44           H        LYS  44 -10.988  -3.549   8.173
  345    HA   LYS  44           HA       LYS  44 -10.725  -1.458   6.120
  346   1HB   LYS  44          2HB       LYS  44  -8.843  -1.424   8.428
  347   2HB   LYS  44          1HB       LYS  44  -9.416  -0.096   7.427
  348   1HG   LYS  44          2HG       LYS  44 -11.360   0.160   8.644
  349   2HG   LYS  44          1HG       LYS  44 -11.303  -1.487   9.276
  350   1HD   LYS  44          2HD       LYS  44  -9.363   0.705  10.011
  351   2HD   LYS  44          1HD       LYS  44 -10.766   0.242  10.975
  352   1HE   LYS  44          2HE       LYS  44  -9.670  -2.158  10.748
  353   2HE   LYS  44          1HE       LYS  44  -8.206  -1.201  10.517
  354   1HZ   LYS  44          1HZ       LYS  44  -9.886  -0.420  12.751
  355   2HZ   LYS  44          2HZ       LYS  44  -8.202  -0.535  12.651
  356   3HZ   LYS  44          3HZ       LYS  44  -9.131  -1.927  12.901
  357    H    TYR  45           H        TYR  45  -9.046  -1.656   4.740
  358    HA   TYR  45           HA       TYR  45  -7.520  -4.155   4.864
  359   1HB   TYR  45          2HB       TYR  45  -7.766  -2.123   2.629
  360   2HB   TYR  45          1HB       TYR  45  -6.961  -3.685   2.521
  361    HD1  TYR  45           1HD      TYR  45  -8.188  -5.663   2.088
  362    HD2  TYR  45           2HD      TYR  45 -10.250  -2.048   2.970
  363    HE1  TYR  45           1HE      TYR  45 -10.308  -6.717   1.425
  364    HE2  TYR  45           2HE      TYR  45 -12.376  -3.091   2.307
  365    HH   TYR  45           HH       TYR  45 -13.187  -4.924   0.960
  366    H    GLN  46           H        GLN  46  -5.231  -4.181   4.539
  367    HA   GLN  46           HA       GLN  46  -3.915  -1.775   5.580
  368   1HB   GLN  46          2HB       GLN  46  -3.637  -4.171   6.581
  369   2HB   GLN  46          1HB       GLN  46  -2.555  -4.428   5.219
  370   1HG   GLN  46          2HG       GLN  46  -1.304  -2.377   5.981
  371   2HG   GLN  46          1HG       GLN  46  -2.275  -2.438   7.450
  372   1HE2  GLN  46          1HE2      GLN  46   0.469  -3.589   5.856
  373   2HE2  GLN  46          2HE2      GLN  46   0.935  -4.794   7.003
  374    H    VAL  47           H        VAL  47  -3.364  -0.449   3.977
  375    HA   VAL  47           HA       VAL  47  -2.324  -1.585   1.489
  376    HB   VAL  47           HB       VAL  47  -2.689   0.602   0.488
  377   1HG1  VAL  47          1HG1      VAL  47  -5.302   0.596   1.500
  378   2HG1  VAL  47          2HG1      VAL  47  -4.742  -1.073   1.596
  379   3HG1  VAL  47          3HG1      VAL  47  -4.706  -0.218   0.055
  380   1HG2  VAL  47          1HG2      VAL  47  -4.209   2.057   2.256
  381   2HG2  VAL  47          2HG2      VAL  47  -2.521   2.371   1.847
  382   3HG2  VAL  47          3HG2      VAL  47  -2.920   1.420   3.278
  383    H    PHE  48           H        PHE  48  -0.460  -0.850   0.522
  384    HA   PHE  48           HA       PHE  48   1.545   0.253   2.377
  385   1HB   PHE  48          2HB       PHE  48   1.983  -2.008   1.441
  386   2HB   PHE  48          1HB       PHE  48   1.950  -1.324  -0.179
  387    HD1  PHE  48           1HD      PHE  48   3.595  -0.371   3.040
  388    HD2  PHE  48           2HD      PHE  48   4.031  -1.219  -1.109
  389    HE1  PHE  48           1HE      PHE  48   6.004   0.107   3.198
  390    HE2  PHE  48           2HE      PHE  48   6.441  -0.745  -0.957
  391    HZ   PHE  48           HZ       PHE  48   7.430  -0.081   1.199
  392    H    PHE  49           H        PHE  49   2.260   2.255   2.016
  393    HA   PHE  49           HA       PHE  49   1.520   3.640  -0.444
  394   1HB   PHE  49          2HB       PHE  49   2.763   4.670   2.118
  395   2HB   PHE  49          1HB       PHE  49   2.300   5.672   0.748
  396    HD1  PHE  49           1HD      PHE  49   1.364   5.007   3.883
  397    HD2  PHE  49           2HD      PHE  49  -0.298   4.829  -0.030
  398    HE1  PHE  49           1HE      PHE  49  -0.887   5.241   4.831
  399    HE2  PHE  49           2HE      PHE  49  -2.552   5.056   0.916
  400    HZ   PHE  49           HZ       PHE  49  -2.852   5.261   3.351
  401    H    PHE  50           H        PHE  50   2.933   3.343  -2.083
  402    HA   PHE  50           HA       PHE  50   5.619   2.619  -1.843
  403   1HB   PHE  50          2HB       PHE  50   4.037   3.874  -4.078
  404   2HB   PHE  50          1HB       PHE  50   5.759   3.551  -4.249
  405    HD1  PHE  50           1HD      PHE  50   6.395   1.065  -3.381
  406    HD2  PHE  50           2HD      PHE  50   2.640   2.296  -4.964
  407    HE1  PHE  50           1HE      PHE  50   5.897  -1.263  -4.001
  408    HE2  PHE  50           2HE      PHE  50   2.136  -0.033  -5.580
  409    HZ   PHE  50           HZ       PHE  50   3.764  -1.814  -5.099
  410    H    GLY  51           H        GLY  51   7.398   4.053  -2.950
  411   1HA   GLY  51          2HA       GLY  51   8.717   5.939  -2.885
  412   2HA   GLY  51          1HA       GLY  51   7.267   6.870  -2.539
  413    H    THR  52           H        THR  52   6.389   6.307  -0.215
  414    HA   THR  52           HA       THR  52   8.577   6.934   1.605
  415    HB   THR  52           HB       THR  52   6.824   7.524   3.195
  416    HG1  THR  52           1HG      THR  52   5.015   6.637   1.199
  417   1HG2  THR  52          1HG2      THR  52   5.883   9.391   2.141
  418   2HG2  THR  52          2HG2      THR  52   5.934   8.624   0.554
  419   3HG2  THR  52          3HG2      THR  52   7.431   9.131   1.338
  420    H    HIS  53           H        HIS  53   6.541   4.289   0.758
  421    HA   HIS  53           HA       HIS  53   6.421   2.133   1.492
  422   1HB   HIS  53          2HB       HIS  53   8.966   2.986   2.873
  423   2HB   HIS  53          1HB       HIS  53   8.304   1.369   3.063
  424    HD1  HIS  53           1HD      HIS  53  10.954   1.288   1.899
  425    HD2  HIS  53           2HD      HIS  53   7.625   2.005  -0.481
  426    HE1  HIS  53           1HE      HIS  53  11.654   0.679  -0.437
  427    HE2  HIS  53           2HE      HIS  53   9.601   1.048  -1.847
  428    H    GLU  54           H        GLU  54   4.965   4.213   2.802
  429    HA   GLU  54           HA       GLU  54   5.002   3.525   5.635
  430   1HB   GLU  54          2HB       GLU  54   3.235   5.458   4.125
  431   2HB   GLU  54          1HB       GLU  54   3.334   5.304   5.874
  432   1HG   GLU  54          2HG       GLU  54   5.538   6.159   5.917
  433   2HG   GLU  54          1HG       GLU  54   5.700   6.026   4.166
  434    H    THR  55           H        THR  55   3.108   2.754   6.761
  435    HA   THR  55           HA       THR  55   1.236   1.328   5.002
  436    HB   THR  55           HB       THR  55   1.303  -0.144   7.353
  437    HG1  THR  55           1HG      THR  55   3.447  -0.478   7.794
  438   1HG2  THR  55          1HG2      THR  55   2.384  -0.526   4.625
  439   2HG2  THR  55          2HG2      THR  55   1.190  -1.467   5.519
  440   3HG2  THR  55          3HG2      THR  55   2.907  -1.639   5.888
  441    H    ALA  56           H        ALA  56  -0.871   1.269   5.532
  442    HA   ALA  56           HA       ALA  56  -1.800   2.282   8.085
  443   1HB   ALA  56          1HB       ALA  56  -1.504   4.045   5.898
  444   2HB   ALA  56          2HB       ALA  56  -2.193   4.376   7.485
  445   3HB   ALA  56          3HB       ALA  56  -3.230   3.818   6.171
  446    H    PHE  57           H        PHE  57  -4.347   2.529   7.922
  447    HA   PHE  57           HA       PHE  57  -5.345   0.224   6.391
  448   1HB   PHE  57          2HB       PHE  57  -6.093   1.134   9.173
  449   2HB   PHE  57          1HB       PHE  57  -7.001  -0.070   8.264
  450    HD1  PHE  57           1HD      PHE  57  -3.463   0.621   9.235
  451    HD2  PHE  57           2HD      PHE  57  -6.547  -2.266   8.717
  452    HE1  PHE  57           1HE      PHE  57  -1.953  -1.135  10.064
  453    HE2  PHE  57           2HE      PHE  57  -5.041  -4.028   9.548
  454    HZ   PHE  57           HZ       PHE  57  -2.740  -3.463  10.222
  455    H    LEU  58           H        LEU  58  -6.966   0.625   5.029
  456    HA   LEU  58           HA       LEU  58  -8.714   2.917   5.533
  457   1HB   LEU  58          2HB       LEU  58  -7.217   2.407   2.967
  458   2HB   LEU  58          1HB       LEU  58  -8.561   3.525   3.105
  459    HG   LEU  58           HG       LEU  58  -6.324   3.929   5.003
  460   1HD1  LEU  58          1HD1      LEU  58  -5.838   5.215   2.426
  461   2HD1  LEU  58          2HD1      LEU  58  -5.618   3.465   2.404
  462   3HD1  LEU  58          3HD1      LEU  58  -4.710   4.453   3.548
  463   1HD2  LEU  58          1HD2      LEU  58  -7.841   5.865   3.265
  464   2HD2  LEU  58          2HD2      LEU  58  -6.866   6.229   4.690
  465   3HD2  LEU  58          3HD2      LEU  58  -8.382   5.343   4.860
  466    H    GLY  59           H        GLY  59 -10.659   2.901   4.107
  467   1HA   GLY  59          2HA       GLY  59 -11.605   0.146   3.845
  468   2HA   GLY  59          1HA       GLY  59 -12.609   1.587   3.890
  469    HA   PRO  60           HA       PRO  60 -12.025  -0.017  -0.528
  470   1HB   PRO  60          2HB       PRO  60 -14.678  -0.411  -1.039
  471   2HB   PRO  60          1HB       PRO  60 -13.606  -1.669  -0.416
  472   1HG   PRO  60          2HG       PRO  60 -15.538   0.077   1.058
  473   2HG   PRO  60          1HG       PRO  60 -15.219  -1.657   1.255
  474   1HD   PRO  60          2HD       PRO  60 -14.198   0.190   2.934
  475   2HD   PRO  60          1HD       PRO  60 -13.316  -1.291   2.512
  476    H    LYS  61           H        LYS  61 -14.135   2.282   1.068
  477    HA   LYS  61           HA       LYS  61 -14.927   3.688  -1.270
  478   1HB   LYS  61          2HB       LYS  61 -14.791   4.694   1.577
  479   2HB   LYS  61          1HB       LYS  61 -15.711   5.411   0.261
  480   1HG   LYS  61          2HG       LYS  61 -16.511   2.715   0.434
  481   2HG   LYS  61          1HG       LYS  61 -16.473   3.349   2.081
  482   1HD   LYS  61          2HD       LYS  61 -17.727   5.016  -0.042
  483   2HD   LYS  61          1HD       LYS  61 -18.611   3.603   0.540
  484   1HE   LYS  61          2HE       LYS  61 -18.620   4.422   2.770
  485   2HE   LYS  61          1HE       LYS  61 -17.460   5.690   2.377
  486   1HZ   LYS  61          1HZ       LYS  61 -19.094   7.033   1.751
  487   2HZ   LYS  61          2HZ       LYS  61 -20.195   5.913   2.379
  488   3HZ   LYS  61          3HZ       LYS  61 -19.782   5.864   0.739
  489    H    ASP  62           H        ASP  62 -12.102   3.729   0.728
  490    HA   ASP  62           HA       ASP  62 -11.179   6.239  -0.466
  491   1HB   ASP  62          2HB       ASP  62 -10.257   4.594   1.876
  492   2HB   ASP  62          1HB       ASP  62  -9.214   5.823   1.168
  493    H    LEU  63           H        LEU  63 -11.190   3.158  -1.426
  494    HA   LEU  63           HA       LEU  63  -8.457   3.268  -2.511
  495   1HB   LEU  63          2HB       LEU  63 -10.253   0.873  -2.121
  496   2HB   LEU  63          1HB       LEU  63  -8.650   0.831  -2.830
  497    HG   LEU  63           HG       LEU  63  -9.070   1.854  -0.040
  498   1HD1  LEU  63          1HD1      LEU  63  -8.800  -0.302   0.871
  499   2HD1  LEU  63          2HD1      LEU  63  -8.428  -1.005  -0.703
  500   3HD1  LEU  63          3HD1      LEU  63 -10.065  -0.453  -0.349
  501   1HD2  LEU  63          1HD2      LEU  63  -6.894   1.908  -1.629
  502   2HD2  LEU  63          2HD2      LEU  63  -6.675   0.343  -0.846
  503   3HD2  LEU  63          3HD2      LEU  63  -6.824   1.804   0.131
  504    H    PHE  64           H        PHE  64  -8.146   3.153  -4.692
  505    HA   PHE  64           HA       PHE  64 -10.506   2.773  -6.402
  506   1HB   PHE  64          2HB       PHE  64  -8.484   4.982  -6.825
  507   2HB   PHE  64          1HB       PHE  64  -9.958   4.701  -7.743
  508    HD1  PHE  64           1HD      PHE  64  -8.898   5.287  -4.211
  509    HD2  PHE  64           2HD      PHE  64 -11.773   6.015  -7.264
  510    HE1  PHE  64           1HE      PHE  64 -10.126   6.783  -2.693
  511    HE2  PHE  64           2HE      PHE  64 -13.005   7.514  -5.751
  512    HZ   PHE  64           HZ       PHE  64 -12.180   7.899  -3.461
  513    HA   PRO  65           HA       PRO  65  -7.868   0.332  -8.956
  514   1HB   PRO  65          2HB       PRO  65  -8.999   1.488 -11.395
  515   2HB   PRO  65          1HB       PRO  65  -9.178  -0.144 -10.750
  516   1HG   PRO  65          2HG       PRO  65 -11.214   1.634 -10.788
  517   2HG   PRO  65          1HG       PRO  65 -11.042   0.407  -9.520
  518   1HD   PRO  65          2HD       PRO  65 -10.355   3.321  -9.446
  519   2HD   PRO  65          1HD       PRO  65 -11.116   2.310  -8.199
  520    H    TYR  66           H        TYR  66  -5.766   0.919  -8.975
  521    HA   TYR  66           HA       TYR  66  -4.687   3.382  -9.584
  522   1HB   TYR  66          2HB       TYR  66  -3.362   1.685  -8.489
  523   2HB   TYR  66          1HB       TYR  66  -3.448   0.642  -9.907
  524    HD1  TYR  66           1HD      TYR  66  -1.958   0.934 -11.741
  525    HD2  TYR  66           2HD      TYR  66  -2.022   3.781  -8.581
  526    HE1  TYR  66           1HE      TYR  66   0.094   1.955 -12.629
  527    HE2  TYR  66           2HE      TYR  66   0.031   4.808  -9.457
  528    HH   TYR  66           HH       TYR  66   2.022   3.348 -11.666
  529    H    GLU  67           H        GLU  67  -4.720   0.564 -11.773
  530    HA   GLU  67           HA       GLU  67  -3.674   1.764 -14.021
  531   1HB   GLU  67          2HB       GLU  67  -5.869  -0.314 -13.974
  532   2HB   GLU  67          1HB       GLU  67  -4.798   0.028 -15.325
  533   1HG   GLU  67          2HG       GLU  67  -3.145  -1.207 -14.479
  534   2HG   GLU  67          1HG       GLU  67  -3.387  -0.585 -12.848
  535    H    GLU  68           H        GLU  68  -7.028   1.755 -12.944
  536    HA   GLU  68           HA       GLU  68  -8.079   3.061 -15.217
  537   1HB   GLU  68          2HB       GLU  68  -9.232   1.684 -13.285
  538   2HB   GLU  68          1HB       GLU  68  -9.430   3.279 -12.571
  539   1HG   GLU  68          2HG       GLU  68 -10.325   2.588 -15.353
  540   2HG   GLU  68          1HG       GLU  68 -11.359   2.444 -13.933
  541    H    SER  69           H        SER  69  -6.922   4.273 -12.096
  542    HA   SER  69           HA       SER  69  -7.471   7.004 -13.063
  543   1HB   SER  69          2HB       SER  69  -6.934   6.087 -10.231
  544   2HB   SER  69          1HB       SER  69  -7.381   7.716 -10.735
  545    HG   SER  69           HG       SER  69  -9.399   7.073 -11.101
  546    H    LYS  70           H        LYS  70  -5.027   5.060 -13.424
  547    HA   LYS  70           HA       LYS  70  -2.826   6.157 -12.123
  548   1HB   LYS  70          2HB       LYS  70  -1.460   5.076 -13.740
  549   2HB   LYS  70          1HB       LYS  70  -2.865   4.049 -13.495
  550   1HG   LYS  70          2HG       LYS  70  -3.816   4.727 -15.573
  551   2HG   LYS  70          1HG       LYS  70  -2.598   5.985 -15.782
  552   1HD   LYS  70          2HD       LYS  70  -1.472   4.483 -16.992
  553   2HD   LYS  70          1HD       LYS  70  -1.080   3.719 -15.451
  554   1HE   LYS  70          2HE       LYS  70  -1.945   1.942 -16.627
  555   2HE   LYS  70          1HE       LYS  70  -3.377   2.529 -15.787
  556   1HZ   LYS  70          1HZ       LYS  70  -3.321   2.065 -18.390
  557   2HZ   LYS  70          2HZ       LYS  70  -2.850   3.690 -18.403
  558   3HZ   LYS  70          3HZ       LYS  70  -4.318   3.241 -17.693
  559    H    GLU  71           H        GLU  71  -4.241   7.058 -15.249
  560    HA   GLU  71           HA       GLU  71  -2.380   9.154 -15.747
  561   1HB   GLU  71          2HB       GLU  71  -5.136   8.768 -16.926
  562   2HB   GLU  71          1HB       GLU  71  -3.847   9.767 -17.585
  563   1HG   GLU  71          2HG       GLU  71  -2.601   7.373 -17.434
  564   2HG   GLU  71          1HG       GLU  71  -4.262   6.868 -17.741
  565    H    LYS  72           H        LYS  72  -5.242   8.918 -13.843
  566    HA   LYS  72           HA       LYS  72  -5.782  11.755 -13.845
  567   1HB   LYS  72          2HB       LYS  72  -7.358   9.597 -13.482
  568   2HB   LYS  72          1HB       LYS  72  -7.022  10.009 -11.806
  569   1HG   LYS  72          2HG       LYS  72  -7.692  12.404 -12.538
  570   2HG   LYS  72          1HG       LYS  72  -8.472  11.573 -13.885
  571   1HD   LYS  72          2HD       LYS  72  -9.931  10.411 -12.475
  572   2HD   LYS  72          1HD       LYS  72  -8.942  10.722 -11.048
  573   1HE   LYS  72          2HE       LYS  72  -9.528  13.249 -11.805
  574   2HE   LYS  72          1HE       LYS  72 -10.977  12.406 -12.351
  575   1HZ   LYS  72          1HZ       LYS  72 -10.696  11.383  -9.912
  576   2HZ   LYS  72          2HZ       LYS  72 -11.617  12.764 -10.240
  577   3HZ   LYS  72          3HZ       LYS  72 -10.038  12.921  -9.654
  578    H    PHE  73           H        PHE  73  -4.676   9.360 -11.460
  579    HA   PHE  73           HA       PHE  73  -3.896  11.563  -9.681
  580   1HB   PHE  73          2HB       PHE  73  -4.011   8.618  -9.030
  581   2HB   PHE  73          1HB       PHE  73  -3.881   9.960  -7.899
  582    HD1  PHE  73           1HD      PHE  73  -5.945  11.771  -9.162
  583    HD2  PHE  73           2HD      PHE  73  -5.985   7.611  -8.264
  584    HE1  PHE  73           1HE      PHE  73  -8.395  11.840  -8.962
  585    HE2  PHE  73           2HE      PHE  73  -8.435   7.673  -8.066
  586    HZ   PHE  73           HZ       PHE  73  -9.645   9.789  -8.416
  587    H    GLY  74           H        GLY  74  -2.444   9.614 -11.979
  588   1HA   GLY  74          2HA       GLY  74   0.019   9.150 -10.541
  589   2HA   GLY  74          1HA       GLY  74  -0.289   8.787 -12.231
  590    H    LYS  75           H        LYS  75   0.198  11.560 -10.034
  591    HA   LYS  75           HA       LYS  75   2.049  12.705 -11.951
  592   1HB   LYS  75          2HB       LYS  75  -0.386  14.209 -10.974
  593   2HB   LYS  75          1HB       LYS  75   0.933  14.907 -11.903
  594   1HG   LYS  75          2HG       LYS  75   0.304  12.985 -13.592
  595   2HG   LYS  75          1HG       LYS  75  -1.254  13.097 -12.771
  596   1HD   LYS  75          2HD       LYS  75  -0.199  15.715 -13.420
  597   2HD   LYS  75          1HD       LYS  75  -0.341  14.701 -14.857
  598   1HE   LYS  75          2HE       LYS  75  -2.702  14.176 -13.668
  599   2HE   LYS  75          1HE       LYS  75  -2.435  15.826 -13.108
  600   1HZ   LYS  75          1HZ       LYS  75  -2.551  16.660 -15.219
  601   2HZ   LYS  75          2HZ       LYS  75  -3.637  15.370 -15.356
  602   3HZ   LYS  75          3HZ       LYS  75  -2.062  15.216 -15.955
  603    HA   PRO  76           HA       PRO  76   4.339  13.862  -8.385
  604   1HB   PRO  76          2HB       PRO  76   5.047  16.472  -9.043
  605   2HB   PRO  76          1HB       PRO  76   5.912  15.018  -9.548
  606   1HG   PRO  76          2HG       PRO  76   3.907  16.649 -11.043
  607   2HG   PRO  76          1HG       PRO  76   5.378  15.854 -11.635
  608   1HD   PRO  76          2HD       PRO  76   2.955  14.806 -12.084
  609   2HD   PRO  76          1HD       PRO  76   4.358  13.771 -11.745
  610    H    ASN  77           H        ASN  77   4.328  15.174  -6.508
  611    HA   ASN  77           HA       ASN  77   2.046  17.011  -6.240
  612   1HB   ASN  77          2HB       ASN  77   2.556  14.513  -4.685
  613   2HB   ASN  77          1HB       ASN  77   1.843  15.890  -3.851
  614   1HD2  ASN  77          1HD2      ASN  77   0.059  16.958  -5.320
  615   2HD2  ASN  77          2HD2      ASN  77  -1.119  15.842  -5.913
  616    H    LYS  78           H        LYS  78   2.118  18.226  -4.144
  617    HA   LYS  78           HA       LYS  78   4.783  19.294  -3.804
  618   1HB   LYS  78          2HB       LYS  78   2.079  20.237  -3.442
  619   2HB   LYS  78          1HB       LYS  78   3.034  20.562  -2.002
  620   1HG   LYS  78          2HG       LYS  78   4.246  21.240  -4.618
  621   2HG   LYS  78          1HG       LYS  78   2.913  22.245  -4.046
  622   1HD   LYS  78          2HD       LYS  78   4.431  22.037  -1.798
  623   2HD   LYS  78          1HD       LYS  78   5.668  22.014  -3.056
  624   1HE   LYS  78          2HE       LYS  78   4.890  24.097  -3.947
  625   2HE   LYS  78          1HE       LYS  78   3.487  24.085  -2.880
  626   1HZ   LYS  78          1HZ       LYS  78   4.795  24.546  -1.031
  627   2HZ   LYS  78          2HZ       LYS  78   5.469  25.528  -2.233
  628   3HZ   LYS  78          3HZ       LYS  78   6.234  24.084  -1.794
  629    H    ARG  79           H        ARG  79   2.832  16.974  -2.248
  630    HA   ARG  79           HA       ARG  79   3.689  17.321   0.422
  631   1HB   ARG  79          2HB       ARG  79   2.333  15.195  -1.137
  632   2HB   ARG  79          1HB       ARG  79   3.142  14.687   0.339
  633   1HG   ARG  79          2HG       ARG  79   1.043  15.138   1.121
  634   2HG   ARG  79          1HG       ARG  79   1.838  16.690   1.394
  635   1HD   ARG  79          2HD       ARG  79   0.843  16.762  -1.233
  636   2HD   ARG  79          1HD       ARG  79  -0.440  16.073  -0.240
  637    HE   ARG  79           HE       ARG  79   0.757  18.439   0.876
  638   1HH1  ARG  79          1HH1      ARG  79  -1.705  17.217  -1.276
  639   2HH1  ARG  79          2HH1      ARG  79  -2.699  18.626  -1.139
  640   1HH2  ARG  79          1HH2      ARG  79  -0.550  20.293   1.056
  641   2HH2  ARG  79          2HH2      ARG  79  -2.045  20.374   0.183
  642    H    LYS  80           H        LYS  80   5.299  16.280  -2.342
  643    HA   LYS  80           HA       LYS  80   7.361  15.452  -2.737
  644   1HB   LYS  80          2HB       LYS  80   7.731  16.109   0.188
  645   2HB   LYS  80          1HB       LYS  80   9.030  15.552  -0.858
  646   1HG   LYS  80          2HG       LYS  80   7.547  18.147  -0.915
  647   2HG   LYS  80          1HG       LYS  80   9.285  17.856  -0.861
  648   1HD   LYS  80          2HD       LYS  80   9.141  16.937  -3.173
  649   2HD   LYS  80          1HD       LYS  80   7.438  17.402  -3.212
  650   1HE   LYS  80          2HE       LYS  80   8.370  19.241  -4.199
  651   2HE   LYS  80          1HE       LYS  80   8.426  19.748  -2.511
  652   1HZ   LYS  80          1HZ       LYS  80  10.724  19.038  -2.399
  653   2HZ   LYS  80          2HZ       LYS  80  10.525  20.153  -3.654
  654   3HZ   LYS  80          3HZ       LYS  80  10.674  18.505  -4.005
  655    H    GLY  81           H        GLY  81   8.342  13.483  -2.824
  656   1HA   GLY  81          2HA       GLY  81   8.788  11.266  -2.170
  657   2HA   GLY  81          1HA       GLY  81   7.644  11.453  -0.846
  658    H    PHE  82           H        PHE  82   5.760  12.672  -2.988
  659    HA   PHE  82           HA       PHE  82   4.164  10.415  -3.401
  660   1HB   PHE  82          2HB       PHE  82   3.395  12.789  -3.444
  661   2HB   PHE  82          1HB       PHE  82   4.182  12.979  -5.007
  662    HD1  PHE  82           1HD      PHE  82   1.306  11.696  -3.233
  663    HD2  PHE  82           2HD      PHE  82   3.331  11.770  -6.973
  664    HE1  PHE  82           1HE      PHE  82  -0.730  10.888  -4.345
  665    HE2  PHE  82           2HE      PHE  82   1.300  10.965  -8.096
  666    HZ   PHE  82           HZ       PHE  82  -0.739  10.519  -6.783
  667    H    SER  83           H        SER  83   6.174  12.209  -5.733
  668    HA   SER  83           HA       SER  83   5.767  10.621  -7.958
  669   1HB   SER  83          2HB       SER  83   8.514  11.679  -7.506
  670   2HB   SER  83          1HB       SER  83   7.491  11.771  -8.940
  671    HG   SER  83           HG       SER  83   6.163  13.252  -7.606
  672    H    GLU  84           H        GLU  84   8.239  10.254  -5.428
  673    HA   GLU  84           HA       GLU  84   9.707   8.167  -6.439
  674   1HB   GLU  84          2HB       GLU  84   8.838   8.510  -3.562
  675   2HB   GLU  84          1HB       GLU  84  10.196   7.541  -4.115
  676   1HG   GLU  84          2HG       GLU  84  11.024   9.773  -5.155
  677   2HG   GLU  84          1HG       GLU  84   9.911  10.507  -4.001
  678    H    GLY  85           H        GLY  85   6.470   8.117  -5.144
  679   1HA   GLY  85          2HA       GLY  85   6.306   5.278  -4.855
  680   2HA   GLY  85          1HA       GLY  85   4.958   6.404  -4.843
  681    H    LEU  86           H        LEU  86   5.670   7.547  -7.451
  682    HA   LEU  86           HA       LEU  86   4.115   5.887  -9.099
  683   1HB   LEU  86          2HB       LEU  86   5.952   8.199  -9.647
  684   2HB   LEU  86          1HB       LEU  86   5.180   7.335 -10.964
  685    HG   LEU  86           HG       LEU  86   3.989   9.407 -10.290
  686   1HD1  LEU  86          1HD1      LEU  86   2.024   8.507 -10.890
  687   2HD1  LEU  86          2HD1      LEU  86   2.044   7.331  -9.577
  688   3HD1  LEU  86          3HD1      LEU  86   2.955   7.018 -11.054
  689   1HD2  LEU  86          1HD2      LEU  86   4.523   9.131  -7.845
  690   2HD2  LEU  86          2HD2      LEU  86   3.255   7.910  -7.788
  691   3HD2  LEU  86          3HD2      LEU  86   2.857   9.573  -8.214
  692    H    TRP  87           H        TRP  87   7.618   6.336  -8.877
  693    HA   TRP  87           HA       TRP  87   8.316   4.628 -11.015
  694   1HB   TRP  87          2HB       TRP  87   9.899   6.247 -10.143
  695   2HB   TRP  87          1HB       TRP  87   9.881   5.475  -8.561
  696    HD1  TRP  87           HD       TRP  87  11.488   5.245 -11.971
  697    HE1  TRP  87           1HE      TRP  87  13.260   3.381 -11.957
  698    HE3  TRP  87           3HE      TRP  87  10.410   3.140  -7.441
  699    HZ2  TRP  87           2HZ      TRP  87  14.085   1.283 -10.250
  700    HZ3  TRP  87           3HZ      TRP  87  11.734   1.208  -6.691
  701    HH2  TRP  87           HH       TRP  87  13.533   0.298  -8.068
  702    H    GLU  88           H        GLU  88   8.064   4.034  -7.503
  703    HA   GLU  88           HA       GLU  88   8.975   1.382  -7.558
  704   1HB   GLU  88          2HB       GLU  88   7.108   2.761  -5.625
  705   2HB   GLU  88          1HB       GLU  88   7.824   1.179  -5.354
  706   1HG   GLU  88          2HG       GLU  88  10.075   2.346  -5.663
  707   2HG   GLU  88          1HG       GLU  88   9.175   3.849  -5.470
  708    H    ILE  89           H        ILE  89   5.613   2.609  -7.555
  709    HA   ILE  89           HA       ILE  89   4.297   0.190  -7.557
  710    HB   ILE  89           HB       ILE  89   3.209   2.400  -7.359
  711   1HG1  ILE  89          2HG1      ILE  89   1.488   1.513  -9.427
  712   2HG1  ILE  89          1HG1      ILE  89   2.242   0.081  -8.730
  713   1HG2  ILE  89          1HG2      ILE  89   2.483   3.370  -9.662
  714   2HG2  ILE  89          2HG2      ILE  89   3.945   2.573 -10.241
  715   3HG2  ILE  89          3HG2      ILE  89   4.049   3.794  -8.972
  716   1HD1  ILE  89          1HD1      ILE  89   0.181   1.783  -7.661
  717   2HD1  ILE  89          2HD1      ILE  89   1.542   1.630  -6.547
  718   3HD1  ILE  89          3HD1      ILE  89   0.716   0.185  -7.135
  719    H    GLU  90           H        GLU  90   6.050   1.702 -10.146
  720    HA   GLU  90           HA       GLU  90   5.001  -0.222 -12.086
  721   1HB   GLU  90          2HB       GLU  90   6.406   2.397 -12.290
  722   2HB   GLU  90          1HB       GLU  90   6.578   1.254 -13.614
  723   1HG   GLU  90          2HG       GLU  90   4.001   1.131 -13.536
  724   2HG   GLU  90          1HG       GLU  90   4.122   2.634 -12.621
  725    H    ASN  91           H        ASN  91   8.125   0.863 -10.762
  726    HA   ASN  91           HA       ASN  91   9.576  -1.125 -12.247
  727   1HB   ASN  91          2HB       ASN  91  10.226   1.199 -10.658
  728   2HB   ASN  91          1HB       ASN  91  11.250  -0.160 -10.215
  729   1HD2  ASN  91          1HD2      ASN  91  10.073   1.681 -12.986
  730   2HD2  ASN  91          2HD2      ASN  91  11.487   1.468 -13.953
  731    H    ASN  92           H        ASN  92   8.291  -0.851  -8.996
  732    HA   ASN  92           HA       ASN  92   8.762  -3.670  -8.592
  733   1HB   ASN  92          2HB       ASN  92  10.875  -2.492  -7.840
  734   2HB   ASN  92          1HB       ASN  92   9.907  -1.738  -6.575
  735   1HD2  ASN  92          1HD2      ASN  92  12.110  -3.363  -6.069
  736   2HD2  ASN  92          2HD2      ASN  92  11.567  -4.798  -5.274
  737    HA   PRO  93           HA       PRO  93   4.861  -2.230  -6.668
  738   1HB   PRO  93          2HB       PRO  93   3.350  -4.306  -7.469
  739   2HB   PRO  93          1HB       PRO  93   3.725  -2.953  -8.542
  740   1HG   PRO  93          2HG       PRO  93   4.986  -5.664  -8.401
  741   2HG   PRO  93          1HG       PRO  93   4.515  -4.722  -9.828
  742   1HD   PRO  93          2HD       PRO  93   7.077  -4.857  -8.891
  743   2HD   PRO  93          1HD       PRO  93   6.433  -3.464  -9.780
  744    H    THR  94           H        THR  94   6.836  -5.017  -6.301
  745    HA   THR  94           HA       THR  94   5.325  -5.871  -3.932
  746    HB   THR  94           HB       THR  94   6.725  -7.936  -4.073
  747    HG1  THR  94           1HG      THR  94   8.404  -6.823  -5.345
  748   1HG2  THR  94          1HG2      THR  94   4.538  -7.279  -5.633
  749   2HG2  THR  94          2HG2      THR  94   5.186  -8.893  -5.340
  750   3HG2  THR  94          3HG2      THR  94   5.693  -7.983  -6.763
  751    H    VAL  95           H        VAL  95   7.516  -3.654  -4.403
  752    HA   VAL  95           HA       VAL  95   9.751  -4.366  -2.861
  753    HB   VAL  95           HB       VAL  95   9.705  -2.405  -4.349
  754   1HG1  VAL  95          1HG1      VAL  95   8.590  -0.430  -2.672
  755   2HG1  VAL  95          2HG1      VAL  95   7.405  -1.730  -2.797
  756   3HG1  VAL  95          3HG1      VAL  95   8.026  -0.959  -4.257
  757   1HG2  VAL  95          1HG2      VAL  95  10.265  -1.377  -1.593
  758   2HG2  VAL  95          2HG2      VAL  95  11.166  -1.116  -3.087
  759   3HG2  VAL  95          3HG2      VAL  95  11.233  -2.682  -2.279
  760    H    LYS  96           H        LYS  96  10.315  -3.876  -0.724
  761    HA   LYS  96           HA       LYS  96   8.258  -2.920   1.091
  762   1HB   LYS  96          2HB       LYS  96   9.087  -5.735   0.883
  763   2HB   LYS  96          1HB       LYS  96   9.117  -5.086   2.516
  764   1HG   LYS  96          2HG       LYS  96   6.819  -4.604   2.484
  765   2HG   LYS  96          1HG       LYS  96   6.721  -4.804   0.733
  766   1HD   LYS  96          2HD       LYS  96   7.693  -7.237   1.605
  767   2HD   LYS  96          1HD       LYS  96   6.531  -6.789   2.856
  768   1HE   LYS  96          2HE       LYS  96   4.872  -7.420   1.523
  769   2HE   LYS  96          1HE       LYS  96   5.354  -6.194   0.351
  770   1HZ   LYS  96          1HZ       LYS  96   5.285  -8.436  -0.599
  771   2HZ   LYS  96          2HZ       LYS  96   6.474  -8.942   0.493
  772   3HZ   LYS  96          3HZ       LYS  96   6.840  -7.771  -0.671
  773    H    ALA  97           H        ALA  97   9.059  -2.029   2.966
  774    HA   ALA  97           HA       ALA  97  11.934  -1.556   2.982
  775   1HB   ALA  97          1HB       ALA  97   9.727   0.044   3.529
  776   2HB   ALA  97          2HB       ALA  97  11.423   0.455   3.784
  777   3HB   ALA  97          3HB       ALA  97  10.476  -0.237   5.101
  778    H    SER  98           H        SER  98  13.039  -3.164   3.938
  779    HA   SER  98           HA       SER  98  11.991  -4.546   6.250
  780   1HB   SER  98          2HB       SER  98  13.504  -5.457   4.276
  781   2HB   SER  98          1HB       SER  98  14.810  -4.906   5.325
  782    HG   SER  98           HG       SER  98  13.669  -6.171   7.009
  783    H    GLY  99           H        GLY  99  12.644  -4.345   8.337
  784   1HA   GLY  99          2HA       GLY  99  14.895  -2.576   8.955
  785   2HA   GLY  99          1HA       GLY  99  13.315  -2.141   9.590
  786    H    TYR 100           H        TYR 100  15.929  -3.022  10.848
  787    HA   TYR 100           HA       TYR 100  14.771  -5.152  12.523
  788   1HB   TYR 100          2HB       TYR 100  17.626  -4.847  11.583
  789   2HB   TYR 100          1HB       TYR 100  17.147  -5.930  12.886
  790    HD1  TYR 100           1HD      TYR 100  16.063  -8.009  12.430
  791    HD2  TYR 100           2HD      TYR 100  16.881  -5.281   9.273
  792    HE1  TYR 100           1HE      TYR 100  15.557  -9.765  10.789
  793    HE2  TYR 100           2HE      TYR 100  16.376  -7.029   7.623
  794    HH   TYR 100           HH       TYR 100  16.460  -9.951   7.952
  795    H    GLN 101           H        GLN 101  15.371  -5.135  14.742
  796    HA   GLN 101           HA       GLN 101  16.618  -2.657  15.702
  797   1HB   GLN 101          2HB       GLN 101  13.856  -3.553  16.127
  798   2HB   GLN 101          1HB       GLN 101  14.701  -3.138  17.611
  799   1HG   GLN 101          2HG       GLN 101  14.065  -1.051  17.184
  800   2HG   GLN 101          1HG       GLN 101  15.348  -1.048  15.975
  801   1HE2  GLN 101          1HE2      GLN 101  13.475   0.677  15.476
  802   2HE2  GLN 101          2HE2      GLN 101  12.386   0.147  14.244
  803    H    SER 102           H        SER 102  15.428  -5.885  16.586
  804    HA   SER 102           HA       SER 102  17.795  -6.197  18.297
  805   1HB   SER 102          2HB       SER 102  15.477  -5.737  19.487
  806   2HB   SER 102          1HB       SER 102  15.224  -7.451  19.163
  807    HG   SER 102           HG       SER 102  16.205  -7.155  21.185
  808    H    SER 103           H        SER 103  18.900  -7.583  17.011
  809    HA   SER 103           HA       SER 103  17.508  -9.959  15.997
  810   1HB   SER 103          2HB       SER 103  19.876  -8.404  15.121
  811   2HB   SER 103          1HB       SER 103  19.960 -10.150  14.887
  812    HG   SER 103           HG       SER 103  18.328 -10.062  13.489
  813    H    GLN 104           H        GLN 104  20.737  -9.221  17.332
  814    HA   GLN 104           HA       GLN 104  20.503 -11.276  19.322
  815   1HB   GLN 104          2HB       GLN 104  21.209 -12.279  16.939
  816   2HB   GLN 104          1HB       GLN 104  22.798 -11.777  17.502
  817   1HG   GLN 104          2HG       GLN 104  22.955 -13.554  18.805
  818   2HG   GLN 104          1HG       GLN 104  21.433 -13.159  19.601
  819   1HE2  GLN 104          1HE2      GLN 104  23.013 -15.139  17.292
  820   2HE2  GLN 104          2HE2      GLN 104  21.657 -16.125  16.878
  821    H    LYS 105           H        LYS 105  21.360 -10.278  21.014
  822    HA   LYS 105           HA       LYS 105  24.034  -9.138  20.789
  823   1HB   LYS 105          2HB       LYS 105  23.359  -7.089  21.999
  824   2HB   LYS 105          1HB       LYS 105  22.606  -7.216  20.416
  825   1HG   LYS 105          2HG       LYS 105  20.553  -8.060  21.501
  826   2HG   LYS 105          1HG       LYS 105  21.317  -7.803  23.072
  827   1HD   LYS 105          2HD       LYS 105  20.770  -5.647  23.042
  828   2HD   LYS 105          1HD       LYS 105  21.546  -5.429  21.472
  829   1HE   LYS 105          2HE       LYS 105  18.849  -6.707  21.635
  830   2HE   LYS 105          1HE       LYS 105  18.996  -4.954  21.750
  831   1HZ   LYS 105          1HZ       LYS 105  19.343  -6.690  19.463
  832   2HZ   LYS 105          2HZ       LYS 105  20.518  -5.483  19.612
  833   3HZ   LYS 105          3HZ       LYS 105  18.882  -5.063  19.530
  834    H    LYS 106           H        LYS 106  25.068  -8.803  22.867
  835    HA   LYS 106           HA       LYS 106  24.331 -10.871  24.742
  836   1HB   LYS 106          2HB       LYS 106  26.711  -9.344  24.096
  837   2HB   LYS 106          1HB       LYS 106  26.450  -9.409  25.833
  838   1HG   LYS 106          2HG       LYS 106  26.894 -11.614  25.956
  839   2HG   LYS 106          1HG       LYS 106  26.153 -11.962  24.393
  840   1HD   LYS 106          2HD       LYS 106  28.500 -10.339  24.037
  841   2HD   LYS 106          1HD       LYS 106  28.892 -11.768  24.994
  842   1HE   LYS 106          2HE       LYS 106  28.606 -13.158  23.253
  843   2HE   LYS 106          1HE       LYS 106  27.176 -12.301  22.680
  844   1HZ   LYS 106          1HZ       LYS 106  29.074 -10.537  22.091
  845   2HZ   LYS 106          2HZ       LYS 106  28.561 -11.737  21.016
  846   3HZ   LYS 106          3HZ       LYS 106  29.963 -11.968  21.933
  847    H    SER 107           H        SER 107  23.138 -10.603  26.504
  848    HA   SER 107           HA       SER 107  23.159  -8.080  27.941
  849   1HB   SER 107          2HB       SER 107  20.681  -9.201  26.630
  850   2HB   SER 107          1HB       SER 107  20.611  -8.061  27.973
  851    HG   SER 107           HG       SER 107  21.083  -7.592  25.357
  852    H    CYS 108           H        CYS 108  22.784  -8.317  30.094
  853    HA   CYS 108           HA       CYS 108  21.687 -10.840  31.079
  854   1HB   CYS 108          2HB       CYS 108  24.429  -9.772  31.738
  855   2HB   CYS 108          1HB       CYS 108  23.591 -10.918  32.777
  856    HG   CYS 108           HG       CYS 108  25.033 -11.587  30.205
  857    H    ALA 109           H        ALA 109  23.209  -7.809  32.188
  858    HA   ALA 109           HA       ALA 109  22.589  -6.280  33.755
  859   1HB   ALA 109          1HB       ALA 109  19.977  -6.278  34.169
  860   2HB   ALA 109          2HB       ALA 109  19.992  -7.282  32.719
  861   3HB   ALA 109          3HB       ALA 109  20.680  -5.659  32.675
  862    H    GLU 110           H        GLU 110  21.538  -6.024  35.950
  863    HA   GLU 110           HA       GLU 110  21.911  -8.520  37.444
  864   1HB   GLU 110          2HB       GLU 110  22.446  -5.678  37.983
  865   2HB   GLU 110          1HB       GLU 110  21.751  -6.554  39.340
  866   1HG   GLU 110          2HG       GLU 110  23.832  -8.119  38.161
  867   2HG   GLU 110          1HG       GLU 110  24.429  -6.495  38.495
  Start of MODEL   25
    1   1H    MET   1          1HT       MET   1 -21.503 -17.565  -8.407
    2   2H    MET   1          2HT       MET   1 -20.151 -16.834  -7.644
    3   3H    MET   1          3HT       MET   1 -19.935 -17.761  -9.073
    4    HA   MET   1           HA       MET   1 -20.948 -16.202 -10.394
    5   1HB   MET   1          2HB       MET   1 -22.529 -15.796  -8.165
    6   2HB   MET   1          1HB       MET   1 -21.656 -14.277  -8.303
    7   1HG   MET   1          2HG       MET   1 -22.745 -15.272 -10.829
    8   2HG   MET   1          1HG       MET   1 -23.959 -14.893  -9.609
    9   1HE   MET   1          1HE       MET   1 -24.714 -13.632 -11.541
   10   2HE   MET   1          2HE       MET   1 -24.002 -12.164 -12.213
   11   3HE   MET   1          3HE       MET   1 -24.965 -12.082 -10.737
   12    H    SER   2           H        SER   2 -18.968 -15.645 -11.137
   13    HA   SER   2           HA       SER   2 -17.287 -13.901  -9.478
   14   1HB   SER   2          2HB       SER   2 -16.745 -15.882 -11.622
   15   2HB   SER   2          1HB       SER   2 -15.701 -14.461 -11.584
   16    HG   SER   2           HG       SER   2 -15.246 -16.496 -10.218
   17    H    ARG   3           H        ARG   3 -19.664 -12.940 -10.842
   18    HA   ARG   3           HA       ARG   3 -18.406 -11.045 -12.717
   19   1HB   ARG   3          2HB       ARG   3 -21.059 -12.433 -12.813
   20   2HB   ARG   3          1HB       ARG   3 -20.881 -10.852 -13.563
   21   1HG   ARG   3          2HG       ARG   3 -19.443 -11.627 -15.180
   22   2HG   ARG   3          1HG       ARG   3 -18.926 -13.008 -14.210
   23   1HD   ARG   3          2HD       ARG   3 -20.984 -14.145 -14.595
   24   2HD   ARG   3          1HD       ARG   3 -21.709 -12.712 -15.320
   25    HE   ARG   3           HE       ARG   3 -19.595 -13.207 -16.928
   26   1HH1  ARG   3          1HH1      ARG   3 -22.221 -15.192 -15.771
   27   2HH1  ARG   3          2HH1      ARG   3 -22.242 -16.203 -17.177
   28   1HH2  ARG   3          1HH2      ARG   3 -19.622 -14.536 -18.779
   29   2HH2  ARG   3          2HH2      ARG   3 -20.766 -15.831 -18.883
   30    H    SER   4           H        SER   4 -18.764  -8.901 -12.415
   31    HA   SER   4           HA       SER   4 -20.560  -8.130 -10.211
   32   1HB   SER   4          2HB       SER   4 -17.983  -8.037  -9.797
   33   2HB   SER   4          1HB       SER   4 -18.050  -6.592 -10.803
   34    HG   SER   4           HG       SER   4 -19.652  -5.789  -9.329
   35    H    ASN   5           H        ASN   5 -21.824  -6.352 -10.523
   36    HA   ASN   5           HA       ASN   5 -21.493  -4.891 -13.057
   37   1HB   ASN   5          2HB       ASN   5 -23.434  -6.681 -12.817
   38   2HB   ASN   5          1HB       ASN   5 -24.238  -5.354 -11.983
   39   1HD2  ASN   5          1HD2      ASN   5 -24.306  -6.803 -14.757
   40   2HD2  ASN   5          2HD2      ASN   5 -24.532  -5.485 -15.851
   41    H    ARG   6           H        ARG   6 -21.261  -4.547  -9.869
   42    HA   ARG   6           HA       ARG   6 -21.720  -1.721  -9.963
   43   1HB   ARG   6          2HB       ARG   6 -23.572  -3.507  -8.412
   44   2HB   ARG   6          1HB       ARG   6 -23.248  -1.866  -7.872
   45   1HG   ARG   6          2HG       ARG   6 -23.923  -1.167 -10.250
   46   2HG   ARG   6          1HG       ARG   6 -24.616  -2.787 -10.370
   47   1HD   ARG   6          2HD       ARG   6 -26.040  -2.368  -8.471
   48   2HD   ARG   6          1HD       ARG   6 -25.276  -0.803  -8.197
   49    HE   ARG   6           HE       ARG   6 -27.327  -1.415 -10.103
   50   1HH1  ARG   6          1HH1      ARG   6 -24.665   0.722  -9.380
   51   2HH1  ARG   6          2HH1      ARG   6 -25.275   2.016 -10.356
   52   1HH2  ARG   6          1HH2      ARG   6 -28.132   0.284 -11.387
   53   2HH2  ARG   6          2HH2      ARG   6 -27.244   1.768 -11.496
   54    H    GLN   7           H        GLN   7 -21.702  -4.196  -7.392
   55    HA   GLN   7           HA       GLN   7 -20.062  -2.773  -5.639
   56   1HB   GLN   7          2HB       GLN   7 -20.922  -5.602  -5.905
   57   2HB   GLN   7          1HB       GLN   7 -19.526  -5.290  -4.882
   58   1HG   GLN   7          2HG       GLN   7 -21.132  -5.081  -3.313
   59   2HG   GLN   7          1HG       GLN   7 -21.155  -3.423  -3.916
   60   1HE2  GLN   7          1HE2      GLN   7 -23.333  -3.511  -2.954
   61   2HE2  GLN   7          2HE2      GLN   7 -24.635  -4.091  -3.932
   62    H    LYS   8           H        LYS   8 -17.886  -3.793  -4.851
   63    HA   LYS   8           HA       LYS   8 -16.192  -4.755  -6.989
   64   1HB   LYS   8          2HB       LYS   8 -16.174  -2.336  -7.378
   65   2HB   LYS   8          1HB       LYS   8 -15.699  -2.059  -5.710
   66   1HG   LYS   8          2HG       LYS   8 -13.794  -1.832  -7.170
   67   2HG   LYS   8          1HG       LYS   8 -13.588  -3.243  -6.131
   68   1HD   LYS   8          2HD       LYS   8 -12.968  -4.121  -8.159
   69   2HD   LYS   8          1HD       LYS   8 -14.692  -4.495  -8.165
   70   1HE   LYS   8          2HE       LYS   8 -15.181  -2.832  -9.696
   71   2HE   LYS   8          1HE       LYS   8 -13.730  -1.907  -9.308
   72   1HZ   LYS   8          1HZ       LYS   8 -13.992  -3.451 -11.474
   73   2HZ   LYS   8          2HZ       LYS   8 -13.250  -4.540 -10.414
   74   3HZ   LYS   8          3HZ       LYS   8 -12.504  -3.063 -10.767
   75    H    GLU   9           H        GLU   9 -13.980  -5.229  -6.218
   76    HA   GLU   9           HA       GLU   9 -13.516  -5.269  -3.373
   77   1HB   GLU   9          2HB       GLU   9 -14.452  -7.664  -4.835
   78   2HB   GLU   9          1HB       GLU   9 -13.078  -7.910  -3.765
   79   1HG   GLU   9          2HG       GLU   9 -14.566  -8.176  -2.143
   80   2HG   GLU   9          1HG       GLU   9 -14.811  -6.432  -2.225
   81    H    TYR  10           H        TYR  10 -11.362  -5.661  -2.838
   82    HA   TYR  10           HA       TYR  10  -9.522  -5.895  -5.135
   83   1HB   TYR  10          2HB       TYR  10  -9.068  -4.389  -2.547
   84   2HB   TYR  10          1HB       TYR  10  -7.949  -4.483  -3.903
   85    HD1  TYR  10           1HD      TYR  10  -8.131  -2.998  -5.727
   86    HD2  TYR  10           2HD      TYR  10 -11.284  -3.232  -2.880
   87    HE1  TYR  10           1HE      TYR  10  -9.183  -1.018  -6.738
   88    HE2  TYR  10           2HE      TYR  10 -12.344  -1.252  -3.882
   89    HH   TYR  10           HH       TYR  10 -12.327  -0.113  -6.168
   90    H    LYS  11           H        LYS  11  -7.394  -6.858  -4.616
   91    HA   LYS  11           HA       LYS  11  -7.490  -8.683  -2.321
   92   1HB   LYS  11          2HB       LYS  11  -7.204  -9.368  -5.206
   93   2HB   LYS  11          1HB       LYS  11  -6.291 -10.311  -4.037
   94   1HG   LYS  11          2HG       LYS  11  -9.084  -9.961  -3.290
   95   2HG   LYS  11          1HG       LYS  11  -8.869 -10.790  -4.833
   96   1HD   LYS  11          2HD       LYS  11  -7.198 -12.279  -3.642
   97   2HD   LYS  11          1HD       LYS  11  -7.784 -11.570  -2.136
   98   1HE   LYS  11          2HE       LYS  11  -9.918 -12.498  -3.902
   99   2HE   LYS  11          1HE       LYS  11  -8.829 -13.782  -3.380
  100   1HZ   LYS  11          1HZ       LYS  11  -9.716 -11.953  -1.306
  101   2HZ   LYS  11          2HZ       LYS  11  -9.529 -13.634  -1.262
  102   3HZ   LYS  11          3HZ       LYS  11 -10.914 -12.956  -1.957
  103    H    CYS  12           H        CYS  12  -5.380  -9.598  -1.750
  104    HA   CYS  12           HA       CYS  12  -3.420  -7.691  -1.384
  105   1HB   CYS  12          2HB       CYS  12  -3.520 -10.654  -1.180
  106   2HB   CYS  12          1HB       CYS  12  -1.924  -9.911  -1.207
  107    HG   CYS  12           HG       CYS  12  -2.628 -10.052   1.259
  108    H    GLY  13           H        GLY  13  -1.731  -6.918  -2.555
  109   1HA   GLY  13          2HA       GLY  13  -0.001  -7.019  -4.155
  110   2HA   GLY  13          1HA       GLY  13  -0.794  -8.405  -4.886
  111    H    ASP  14           H        ASP  14  -3.320  -6.505  -4.554
  112    HA   ASP  14           HA       ASP  14  -3.322  -5.680  -7.281
  113   1HB   ASP  14          2HB       ASP  14  -5.222  -5.384  -4.980
  114   2HB   ASP  14          1HB       ASP  14  -5.488  -4.466  -6.459
  115    H    LEU  15           H        LEU  15  -3.177  -3.640  -8.163
  116    HA   LEU  15           HA       LEU  15  -1.833  -1.659  -6.503
  117   1HB   LEU  15          2HB       LEU  15  -2.387  -1.627  -9.473
  118   2HB   LEU  15          1HB       LEU  15  -1.355  -0.507  -8.603
  119    HG   LEU  15           HG       LEU  15  -0.856  -3.425  -9.152
  120   1HD1  LEU  15          1HD1      LEU  15   1.207  -2.535 -10.167
  121   2HD1  LEU  15          2HD1      LEU  15   0.636  -0.899  -9.839
  122   3HD1  LEU  15          3HD1      LEU  15  -0.255  -1.938 -10.952
  123   1HD2  LEU  15          1HD2      LEU  15   1.379  -2.710  -7.906
  124   2HD2  LEU  15          2HD2      LEU  15   0.003  -3.402  -7.046
  125   3HD2  LEU  15          3HD2      LEU  15   0.255  -1.657  -7.046
  126    H    VAL  16           H        VAL  16  -2.966  -0.160  -5.501
  127    HA   VAL  16           HA       VAL  16  -5.271   1.027  -6.857
  128    HB   VAL  16           HB       VAL  16  -6.576   1.016  -4.763
  129   1HG1  VAL  16          1HG1      VAL  16  -5.772  -1.522  -6.106
  130   2HG1  VAL  16          2HG1      VAL  16  -7.304  -0.651  -6.168
  131   3HG1  VAL  16          3HG1      VAL  16  -6.874  -1.580  -4.732
  132   1HG2  VAL  16          1HG2      VAL  16  -5.918  -0.416  -2.910
  133   2HG2  VAL  16          2HG2      VAL  16  -4.692   0.819  -3.201
  134   3HG2  VAL  16          3HG2      VAL  16  -4.423  -0.837  -3.746
  135    H    PHE  17           H        PHE  17  -6.063   2.983  -5.657
  136    HA   PHE  17           HA       PHE  17  -3.762   4.514  -4.618
  137   1HB   PHE  17          2HB       PHE  17  -6.174   5.348  -6.226
  138   2HB   PHE  17          1HB       PHE  17  -5.229   6.516  -5.313
  139    HD1  PHE  17           1HD      PHE  17  -2.607   6.340  -5.764
  140    HD2  PHE  17           2HD      PHE  17  -5.663   5.050  -8.423
  141    HE1  PHE  17           1HE      PHE  17  -1.049   6.553  -7.655
  142    HE2  PHE  17           2HE      PHE  17  -4.116   5.258 -10.317
  143    HZ   PHE  17           HZ       PHE  17  -1.803   6.011  -9.944
  144    H    ALA  18           H        ALA  18  -3.962   5.507  -2.637
  145    HA   ALA  18           HA       ALA  18  -6.503   5.070  -1.221
  146   1HB   ALA  18          1HB       ALA  18  -4.710   5.509   0.769
  147   2HB   ALA  18          2HB       ALA  18  -3.696   4.717  -0.438
  148   3HB   ALA  18          3HB       ALA  18  -5.151   3.916   0.154
  149    H    LYS  19           H        LYS  19  -7.636   6.799  -0.663
  150    HA   LYS  19           HA       LYS  19  -6.435   9.432  -0.931
  151   1HB   LYS  19          2HB       LYS  19  -8.664   8.864  -1.953
  152   2HB   LYS  19          1HB       LYS  19  -9.311   8.749  -0.322
  153   1HG   LYS  19          2HG       LYS  19  -9.828  10.902  -1.306
  154   2HG   LYS  19          1HG       LYS  19  -8.742  11.091   0.073
  155   1HD   LYS  19          2HD       LYS  19  -6.922  11.613  -1.271
  156   2HD   LYS  19          1HD       LYS  19  -7.638  10.866  -2.700
  157   1HE   LYS  19          2HE       LYS  19  -7.745  13.211  -3.033
  158   2HE   LYS  19          1HE       LYS  19  -9.380  12.681  -2.641
  159   1HZ   LYS  19          1HZ       LYS  19  -8.612  14.742  -1.483
  160   2HZ   LYS  19          2HZ       LYS  19  -7.511  13.788  -0.624
  161   3HZ   LYS  19          3HZ       LYS  19  -9.172  13.521  -0.455
  162    H    MET  20           H        MET  20  -6.016  10.790   0.693
  163    HA   MET  20           HA       MET  20  -6.872  10.026   3.404
  164   1HB   MET  20          2HB       MET  20  -4.157  11.096   2.611
  165   2HB   MET  20          1HB       MET  20  -4.686  10.776   4.257
  166   1HG   MET  20          2HG       MET  20  -4.910   8.514   2.393
  167   2HG   MET  20          1HG       MET  20  -3.270   9.051   2.751
  168   1HE   MET  20          1HE       MET  20  -2.114   7.727   3.958
  169   2HE   MET  20          2HE       MET  20  -2.508   6.835   5.427
  170   3HE   MET  20          3HE       MET  20  -2.155   8.560   5.512
  171    H    LYS  21           H        LYS  21  -7.235  11.742   4.858
  172    HA   LYS  21           HA       LYS  21  -8.371  14.052   3.757
  173   1HB   LYS  21          2HB       LYS  21  -8.466  14.877   6.093
  174   2HB   LYS  21          1HB       LYS  21  -9.071  13.235   5.920
  175   1HG   LYS  21          2HG       LYS  21  -6.547  12.666   6.537
  176   2HG   LYS  21          1HG       LYS  21  -6.670  14.240   7.326
  177   1HD   LYS  21          2HD       LYS  21  -9.028  12.894   7.992
  178   2HD   LYS  21          1HD       LYS  21  -7.748  11.688   8.136
  179   1HE   LYS  21          2HE       LYS  21  -7.409  12.552  10.171
  180   2HE   LYS  21          1HE       LYS  21  -6.618  13.880   9.322
  181   1HZ   LYS  21          1HZ       LYS  21  -9.108  14.717   9.199
  182   2HZ   LYS  21          2HZ       LYS  21  -8.114  15.054  10.524
  183   3HZ   LYS  21          3HZ       LYS  21  -9.235  13.791  10.609
  184    H    GLY  22           H        GLY  22  -7.369  15.691   2.805
  185   1HA   GLY  22          2HA       GLY  22  -6.001  17.621   2.881
  186   2HA   GLY  22          1HA       GLY  22  -4.996  16.832   4.087
  187    H    TYR  23           H        TYR  23  -4.785  14.351   2.540
  188    HA   TYR  23           HA       TYR  23  -2.780  15.286   0.603
  189   1HB   TYR  23          2HB       TYR  23  -3.021  12.454   1.596
  190   2HB   TYR  23          1HB       TYR  23  -1.606  13.280   0.952
  191    HD1  TYR  23           1HD      TYR  23  -1.061  15.533   2.429
  192    HD2  TYR  23           2HD      TYR  23  -2.911  11.976   3.844
  193    HE1  TYR  23           1HE      TYR  23  -0.332  16.071   4.714
  194    HE2  TYR  23           2HE      TYR  23  -2.189  12.503   6.134
  195    HH   TYR  23           HH       TYR  23  -0.565  13.809   7.299
  196    HA   PRO  24           HA       PRO  24  -5.179  13.598  -2.709
  197   1HB   PRO  24          2HB       PRO  24  -3.349  13.490  -4.649
  198   2HB   PRO  24          1HB       PRO  24  -3.857  15.037  -3.959
  199   1HG   PRO  24          2HG       PRO  24  -1.379  13.452  -3.440
  200   2HG   PRO  24          1HG       PRO  24  -1.580  15.207  -3.586
  201   1HD   PRO  24          2HD       PRO  24  -1.420  13.799  -1.192
  202   2HD   PRO  24          1HD       PRO  24  -2.084  15.434  -1.379
  203    H    HIS  25           H        HIS  25  -5.311  11.788  -4.260
  204    HA   HIS  25           HA       HIS  25  -5.042   9.295  -3.128
  205   1HB   HIS  25          2HB       HIS  25  -4.893   9.890  -6.092
  206   2HB   HIS  25          1HB       HIS  25  -5.401   8.380  -5.348
  207    HD1  HIS  25           1HD      HIS  25  -6.546  11.932  -5.853
  208    HD2  HIS  25           2HD      HIS  25  -8.050   8.273  -4.584
  209    HE1  HIS  25           1HE      HIS  25  -9.032  12.255  -5.667
  210    HE2  HIS  25           2HE      HIS  25  -9.911  10.055  -4.810
  211    H    TRP  26           H        TRP  26  -3.236   8.286  -2.459
  212    HA   TRP  26           HA       TRP  26  -0.694   8.807  -3.817
  213   1HB   TRP  26          2HB       TRP  26  -1.180   8.911  -1.226
  214   2HB   TRP  26          1HB       TRP  26  -0.915   7.175  -1.323
  215    HD1  TRP  26           HD       TRP  26   1.588   6.413  -2.262
  216    HE1  TRP  26           1HE      TRP  26   3.867   7.561  -1.882
  217    HE3  TRP  26           3HE      TRP  26  -0.040  11.079  -0.946
  218    HZ2  TRP  26           2HZ      TRP  26   4.832  10.106  -1.135
  219    HZ3  TRP  26           3HZ      TRP  26   1.611  12.803  -0.420
  220    HH2  TRP  26           HH       TRP  26   3.987  12.328  -0.512
  221    HA   PRO  27           HA       PRO  27  -0.826   4.893  -5.983
  222   1HB   PRO  27          2HB       PRO  27   1.943   4.563  -6.089
  223   2HB   PRO  27          1HB       PRO  27   0.970   5.430  -7.280
  224   1HG   PRO  27          2HG       PRO  27   2.573   6.497  -5.001
  225   2HG   PRO  27          1HG       PRO  27   2.345   7.168  -6.626
  226   1HD   PRO  27          2HD       PRO  27   1.057   8.183  -4.508
  227   2HD   PRO  27          1HD       PRO  27   0.268   8.067  -6.097
  228    H    ALA  28           H        ALA  28  -1.328   3.083  -4.911
  229    HA   ALA  28           HA       ALA  28   0.567   2.049  -2.938
  230   1HB   ALA  28          1HB       ALA  28  -1.728   3.440  -2.215
  231   2HB   ALA  28          2HB       ALA  28  -0.701   2.457  -1.170
  232   3HB   ALA  28          3HB       ALA  28  -2.113   1.740  -1.948
  233    H    ARG  29           H        ARG  29  -0.290  -0.104  -2.042
  234    HA   ARG  29           HA       ARG  29  -1.747  -1.675  -4.028
  235   1HB   ARG  29          2HB       ARG  29   0.630  -1.873  -4.639
  236   2HB   ARG  29          1HB       ARG  29   1.008  -2.398  -3.006
  237   1HG   ARG  29          2HG       ARG  29  -0.646  -4.314  -3.463
  238   2HG   ARG  29          1HG       ARG  29  -0.463  -3.866  -5.159
  239   1HD   ARG  29          2HD       ARG  29   2.131  -3.971  -4.086
  240   2HD   ARG  29          1HD       ARG  29   1.290  -5.394  -3.476
  241    HE   ARG  29           HE       ARG  29   0.997  -4.928  -6.312
  242   1HH1  ARG  29          1HH1      ARG  29   2.855  -6.501  -3.810
  243   2HH1  ARG  29          2HH1      ARG  29   3.505  -7.700  -4.876
  244   1HH2  ARG  29          1HH2      ARG  29   1.854  -6.501  -7.713
  245   2HH2  ARG  29          2HH2      ARG  29   2.937  -7.701  -7.092
  246    H    ILE  30           H        ILE  30  -2.511  -3.736  -3.165
  247    HA   ILE  30           HA       ILE  30  -3.153  -3.542  -0.348
  248    HB   ILE  30           HB       ILE  30  -3.827  -5.840  -2.182
  249   1HG1  ILE  30          2HG1      ILE  30  -4.541  -3.683  -3.192
  250   2HG1  ILE  30          1HG1      ILE  30  -5.900  -4.708  -2.740
  251   1HG2  ILE  30          1HG2      ILE  30  -4.591  -4.989   0.529
  252   2HG2  ILE  30          2HG2      ILE  30  -4.533  -6.602  -0.182
  253   3HG2  ILE  30          3HG2      ILE  30  -5.913  -5.550  -0.495
  254   1HD1  ILE  30          1HD1      ILE  30  -6.142  -2.270  -2.213
  255   2HD1  ILE  30          2HD1      ILE  30  -4.876  -2.483  -1.003
  256   3HD1  ILE  30          3HD1      ILE  30  -6.395  -3.368  -0.858
  257    H    ASP  31           H        ASP  31  -2.312  -4.780   1.287
  258    HA   ASP  31           HA       ASP  31  -0.306  -6.790   0.528
  259   1HB   ASP  31          2HB       ASP  31   0.379  -4.403   1.563
  260   2HB   ASP  31          1HB       ASP  31   0.135  -5.309   3.053
  261    H    GLU  32           H        GLU  32  -3.023  -6.030   2.503
  262    HA   GLU  32           HA       GLU  32  -3.151  -8.721   3.453
  263   1HB   GLU  32          2HB       GLU  32  -1.535  -7.351   5.010
  264   2HB   GLU  32          1HB       GLU  32  -3.038  -6.724   5.672
  265   1HG   GLU  32          2HG       GLU  32  -3.010  -8.486   7.019
  266   2HG   GLU  32          1HG       GLU  32  -3.482  -9.432   5.609
  267    H    MET  33           H        MET  33  -5.133  -9.223   4.489
  268    HA   MET  33           HA       MET  33  -7.128  -7.174   4.834
  269   1HB   MET  33          2HB       MET  33  -8.712  -8.106   3.218
  270   2HB   MET  33          1HB       MET  33  -7.252  -7.536   2.421
  271   1HG   MET  33          2HG       MET  33  -6.483  -9.708   2.024
  272   2HG   MET  33          1HG       MET  33  -7.608 -10.410   3.185
  273   1HE   MET  33          1HE       MET  33  -7.721  -8.326  -0.368
  274   2HE   MET  33          2HE       MET  33  -8.573  -7.559   0.972
  275   3HE   MET  33          3HE       MET  33  -9.483  -8.257  -0.367
  276    HA   PRO  34           HA       PRO  34  -8.822 -10.095   7.667
  277   1HB   PRO  34          2HB       PRO  34 -11.579  -9.547   6.874
  278   2HB   PRO  34          1HB       PRO  34 -10.733  -9.088   8.352
  279   1HG   PRO  34          2HG       PRO  34 -11.467  -7.287   6.467
  280   2HG   PRO  34          1HG       PRO  34 -10.026  -7.083   7.481
  281   1HD   PRO  34          2HD       PRO  34 -10.232  -8.048   4.650
  282   2HD   PRO  34          1HD       PRO  34  -9.049  -6.940   5.381
  283    H    GLU  35           H        GLU  35  -7.998 -11.548   5.559
  284    HA   GLU  35           HA       GLU  35  -9.818 -13.741   5.530
  285   1HB   GLU  35          2HB       GLU  35 -10.697 -12.204   3.723
  286   2HB   GLU  35          1HB       GLU  35  -9.180 -12.482   2.867
  287   1HG   GLU  35          2HG       GLU  35  -9.654 -14.708   2.488
  288   2HG   GLU  35          1HG       GLU  35 -10.869 -14.767   3.763
  289    H    ALA  36           H        ALA  36  -7.149 -13.305   6.392
  290    HA   ALA  36           HA       ALA  36  -5.864 -15.533   5.211
  291   1HB   ALA  36          1HB       ALA  36  -5.540 -13.412   3.628
  292   2HB   ALA  36          2HB       ALA  36  -4.269 -14.615   3.866
  293   3HB   ALA  36          3HB       ALA  36  -4.227 -13.100   4.766
  294    H    ALA  37           H        ALA  37  -5.690 -12.582   7.070
  295    HA   ALA  37           HA       ALA  37  -4.075 -13.984   9.064
  296   1HB   ALA  37          1HB       ALA  37  -2.840 -12.165   7.806
  297   2HB   ALA  37          2HB       ALA  37  -2.849 -12.019   9.565
  298   3HB   ALA  37          3HB       ALA  37  -3.929 -11.021   8.591
  299    H    VAL  38           H        VAL  38  -5.978 -10.997   8.754
  300    HA   VAL  38           HA       VAL  38  -7.566 -10.054  10.084
  301    HB   VAL  38           HB       VAL  38  -8.308 -12.862  10.891
  302   1HG1  VAL  38          1HG1      VAL  38  -9.433 -10.300  11.366
  303   2HG1  VAL  38          2HG1      VAL  38 -10.051 -11.880  11.847
  304   3HG1  VAL  38          3HG1      VAL  38 -10.522 -11.183  10.297
  305   1HG2  VAL  38          1HG2      VAL  38  -9.039 -13.378   8.836
  306   2HG2  VAL  38          2HG2      VAL  38  -8.002 -12.067   8.273
  307   3HG2  VAL  38          3HG2      VAL  38  -9.714 -11.770   8.576
  308    H    LYS  39           H        LYS  39  -6.534  -8.979  11.682
  309    HA   LYS  39           HA       LYS  39  -6.639 -10.059  14.326
  310   1HB   LYS  39          2HB       LYS  39  -4.021  -9.367  14.489
  311   2HB   LYS  39          1HB       LYS  39  -4.592 -11.015  14.272
  312   1HG   LYS  39          2HG       LYS  39  -3.983 -11.084  12.062
  313   2HG   LYS  39          1HG       LYS  39  -4.088  -9.334  11.865
  314   1HD   LYS  39          2HD       LYS  39  -2.095  -9.239  13.486
  315   2HD   LYS  39          1HD       LYS  39  -1.910 -10.959  13.141
  316   1HE   LYS  39          2HE       LYS  39  -2.221  -9.734  10.649
  317   2HE   LYS  39          1HE       LYS  39  -1.145  -8.673  11.557
  318   1HZ   LYS  39          1HZ       LYS  39   0.414 -10.353  11.821
  319   2HZ   LYS  39          2HZ       LYS  39  -0.119 -10.579  10.232
  320   3HZ   LYS  39          3HZ       LYS  39  -0.686 -11.588  11.465
  321    H    SER  40           H        SER  40  -4.623  -7.618  12.679
  322    HA   SER  40           HA       SER  40  -5.604  -5.612  14.570
  323   1HB   SER  40          2HB       SER  40  -3.491  -5.055  12.514
  324   2HB   SER  40          1HB       SER  40  -3.679  -4.379  14.132
  325    HG   SER  40           HG       SER  40  -2.502  -6.766  13.321
  326    H    THR  41           H        THR  41  -7.470  -6.464  12.713
  327    HA   THR  41           HA       THR  41  -7.622  -4.252  10.771
  328    HB   THR  41           HB       THR  41  -9.570  -5.887   9.941
  329    HG1  THR  41           1HG      THR  41  -9.042  -7.379  11.677
  330   1HG2  THR  41          1HG2      THR  41  -7.724  -5.194   8.534
  331   2HG2  THR  41          2HG2      THR  41  -8.011  -6.927   8.381
  332   3HG2  THR  41          3HG2      THR  41  -6.655  -6.339   9.345
  333    H    ALA  42           H        ALA  42  -9.974  -3.740  10.220
  334    HA   ALA  42           HA       ALA  42 -11.979  -3.934  12.203
  335   1HB   ALA  42          1HB       ALA  42 -10.721  -1.201  12.017
  336   2HB   ALA  42          2HB       ALA  42 -10.359  -2.345  13.309
  337   3HB   ALA  42          3HB       ALA  42 -12.000  -1.732  13.108
  338    H    ASN  43           H        ASN  43 -12.240  -4.566   9.718
  339    HA   ASN  43           HA       ASN  43 -13.516  -4.265   7.870
  340   1HB   ASN  43          2HB       ASN  43 -14.406  -1.709   9.218
  341   2HB   ASN  43          1HB       ASN  43 -15.148  -2.416   7.787
  342   1HD2  ASN  43          1HD2      ASN  43 -16.831  -3.672   8.106
  343   2HD2  ASN  43          2HD2      ASN  43 -17.244  -4.465   9.585
  344    H    LYS  44           H        LYS  44 -10.780  -3.293   8.162
  345    HA   LYS  44           HA       LYS  44 -10.791  -1.480   5.858
  346   1HB   LYS  44          2HB       LYS  44  -8.702  -0.992   7.905
  347   2HB   LYS  44          1HB       LYS  44  -9.511   0.139   6.831
  348   1HG   LYS  44          2HG       LYS  44 -11.522  -0.705   8.546
  349   2HG   LYS  44          1HG       LYS  44 -10.101  -0.556   9.580
  350   1HD   LYS  44          2HD       LYS  44 -10.547   1.646   7.665
  351   2HD   LYS  44          1HD       LYS  44 -11.727   1.503   8.969
  352   1HE   LYS  44          2HE       LYS  44  -9.546   1.255  10.438
  353   2HE   LYS  44          1HE       LYS  44  -8.819   2.127   9.089
  354   1HZ   LYS  44          1HZ       LYS  44 -10.752   3.744   9.406
  355   2HZ   LYS  44          2HZ       LYS  44  -9.497   3.788  10.540
  356   3HZ   LYS  44          3HZ       LYS  44 -10.955   3.018  10.921
  357    H    TYR  45           H        TYR  45  -8.916  -1.561   4.564
  358    HA   TYR  45           HA       TYR  45  -7.551  -4.145   4.691
  359   1HB   TYR  45          2HB       TYR  45  -7.413  -2.028   2.531
  360   2HB   TYR  45          1HB       TYR  45  -6.837  -3.687   2.417
  361    HD1  TYR  45           1HD      TYR  45  -8.418  -5.537   2.183
  362    HD2  TYR  45           2HD      TYR  45  -9.750  -1.500   2.331
  363    HE1  TYR  45           1HE      TYR  45 -10.612  -6.237   1.321
  364    HE2  TYR  45           2HE      TYR  45 -11.951  -2.190   1.468
  365    HH   TYR  45           HH       TYR  45 -13.335  -4.156   1.312
  366    H    GLN  46           H        GLN  46  -5.242  -4.284   4.310
  367    HA   GLN  46           HA       GLN  46  -3.789  -2.089   5.614
  368   1HB   GLN  46          2HB       GLN  46  -3.691  -4.730   6.191
  369   2HB   GLN  46          1HB       GLN  46  -2.408  -4.643   4.991
  370   1HG   GLN  46          2HG       GLN  46  -1.860  -2.508   6.622
  371   2HG   GLN  46          1HG       GLN  46  -2.460  -3.723   7.749
  372   1HE2  GLN  46          1HE2      GLN  46  -0.007  -3.123   8.224
  373   2HE2  GLN  46          2HE2      GLN  46   1.116  -4.282   7.607
  374    H    VAL  47           H        VAL  47  -3.400  -0.666   4.012
  375    HA   VAL  47           HA       VAL  47  -2.334  -1.645   1.479
  376    HB   VAL  47           HB       VAL  47  -4.144  -0.181   1.127
  377   1HG1  VAL  47          1HG1      VAL  47  -4.705   1.078   2.891
  378   2HG1  VAL  47          2HG1      VAL  47  -3.663   2.294   2.150
  379   3HG1  VAL  47          3HG1      VAL  47  -3.033   1.251   3.425
  380   1HG2  VAL  47          1HG2      VAL  47  -1.978   0.238  -0.185
  381   2HG2  VAL  47          2HG2      VAL  47  -1.837   1.705   0.785
  382   3HG2  VAL  47          3HG2      VAL  47  -3.243   1.465  -0.255
  383    H    PHE  48           H        PHE  48  -0.497  -0.908   0.553
  384    HA   PHE  48           HA       PHE  48   1.513   0.214   2.391
  385   1HB   PHE  48          2HB       PHE  48   1.959  -2.041   1.441
  386   2HB   PHE  48          1HB       PHE  48   1.915  -1.345  -0.174
  387    HD1  PHE  48           1HD      PHE  48   4.005  -1.277  -1.094
  388    HD2  PHE  48           2HD      PHE  48   3.542  -0.335   3.031
  389    HE1  PHE  48           1HE      PHE  48   6.410  -0.777  -0.942
  390    HE2  PHE  48           2HE      PHE  48   5.946   0.168   3.190
  391    HZ   PHE  48           HZ       PHE  48   7.383  -0.054   1.201
  392    H    PHE  49           H        PHE  49   2.220   2.218   2.022
  393    HA   PHE  49           HA       PHE  49   1.435   3.600  -0.424
  394   1HB   PHE  49          2HB       PHE  49   2.589   4.564   2.196
  395   2HB   PHE  49          1HB       PHE  49   2.347   5.622   0.810
  396    HD1  PHE  49           1HD      PHE  49  -0.085   5.558  -0.208
  397    HD2  PHE  49           2HD      PHE  49   0.920   4.390   3.757
  398    HE1  PHE  49           1HE      PHE  49  -2.417   5.913   0.483
  399    HE2  PHE  49           2HE      PHE  49  -1.407   4.743   4.453
  400    HZ   PHE  49           HZ       PHE  49  -3.082   5.501   2.816
  401    H    PHE  50           H        PHE  50   2.825   3.337  -2.089
  402    HA   PHE  50           HA       PHE  50   5.523   2.620  -1.857
  403   1HB   PHE  50          2HB       PHE  50   3.907   3.824  -4.091
  404   2HB   PHE  50          1HB       PHE  50   5.634   3.537  -4.275
  405    HD1  PHE  50           1HD      PHE  50   2.506   2.193  -4.863
  406    HD2  PHE  50           2HD      PHE  50   6.366   1.090  -3.456
  407    HE1  PHE  50           1HE      PHE  50   2.043  -0.152  -5.447
  408    HE2  PHE  50           2HE      PHE  50   5.914  -1.256  -4.042
  409    HZ   PHE  50           HZ       PHE  50   3.750  -1.880  -5.039
  410    H    GLY  51           H        GLY  51   7.279   4.071  -3.017
  411   1HA   GLY  51          2HA       GLY  51   8.571   5.980  -2.974
  412   2HA   GLY  51          1HA       GLY  51   7.113   6.889  -2.600
  413    H    THR  52           H        THR  52   6.283   6.332  -0.268
  414    HA   THR  52           HA       THR  52   8.495   6.954   1.523
  415    HB   THR  52           HB       THR  52   6.732   7.505   3.146
  416    HG1  THR  52           1HG      THR  52   4.560   7.373   2.473
  417   1HG2  THR  52          1HG2      THR  52   5.536   9.287   1.851
  418   2HG2  THR  52          2HG2      THR  52   6.365   8.690   0.413
  419   3HG2  THR  52          3HG2      THR  52   7.298   9.334   1.764
  420    H    HIS  53           H        HIS  53   6.420   4.339   0.687
  421    HA   HIS  53           HA       HIS  53   6.279   2.184   1.394
  422   1HB   HIS  53          2HB       HIS  53   8.868   2.950   2.748
  423   2HB   HIS  53          1HB       HIS  53   8.194   1.328   2.836
  424    HD1  HIS  53           1HD      HIS  53  10.791   1.223   1.617
  425    HD2  HIS  53           2HD      HIS  53   7.477   2.305  -0.643
  426    HE1  HIS  53           1HE      HIS  53  11.441   0.796  -0.774
  427    HE2  HIS  53           2HE      HIS  53   9.384   1.360  -2.114
  428    H    GLU  54           H        GLU  54   4.872   4.231   2.765
  429    HA   GLU  54           HA       GLU  54   4.982   3.521   5.593
  430   1HB   GLU  54          2HB       GLU  54   3.156   5.456   4.153
  431   2HB   GLU  54          1HB       GLU  54   3.321   5.290   5.895
  432   1HG   GLU  54          2HG       GLU  54   5.576   6.097   5.824
  433   2HG   GLU  54          1HG       GLU  54   5.568   6.099   4.061
  434    H    THR  55           H        THR  55   3.118   2.732   6.752
  435    HA   THR  55           HA       THR  55   1.221   1.306   5.020
  436    HB   THR  55           HB       THR  55   1.324  -0.108   7.429
  437    HG1  THR  55           1HG      THR  55   3.960   0.382   6.514
  438   1HG2  THR  55          1HG2      THR  55   2.587  -0.674   4.766
  439   2HG2  THR  55          2HG2      THR  55   1.044  -1.261   5.387
  440   3HG2  THR  55          3HG2      THR  55   2.555  -1.829   6.098
  441    H    ALA  56           H        ALA  56  -0.878   1.319   5.522
  442    HA   ALA  56           HA       ALA  56  -1.797   2.347   8.071
  443   1HB   ALA  56          1HB       ALA  56  -1.233   4.255   6.320
  444   2HB   ALA  56          2HB       ALA  56  -2.596   4.373   7.436
  445   3HB   ALA  56          3HB       ALA  56  -2.863   3.868   5.766
  446    H    PHE  57           H        PHE  57  -4.242   2.459   8.131
  447    HA   PHE  57           HA       PHE  57  -5.337   0.257   6.518
  448   1HB   PHE  57          2HB       PHE  57  -5.969   1.204   9.311
  449   2HB   PHE  57          1HB       PHE  57  -7.045   0.133   8.420
  450    HD1  PHE  57           1HD      PHE  57  -3.435   0.395   9.328
  451    HD2  PHE  57           2HD      PHE  57  -6.818  -2.123   8.759
  452    HE1  PHE  57           1HE      PHE  57  -2.111  -1.543  10.067
  453    HE2  PHE  57           2HE      PHE  57  -5.502  -4.066   9.499
  454    HZ   PHE  57           HZ       PHE  57  -3.145  -3.776  10.154
  455    H    LEU  58           H        LEU  58  -6.902   0.722   5.113
  456    HA   LEU  58           HA       LEU  58  -8.594   3.064   5.597
  457   1HB   LEU  58          2HB       LEU  58  -7.110   2.474   3.040
  458   2HB   LEU  58          1HB       LEU  58  -8.408   3.645   3.168
  459    HG   LEU  58           HG       LEU  58  -5.903   3.828   4.829
  460   1HD1  LEU  58          1HD1      LEU  58  -6.464   5.146   2.176
  461   2HD1  LEU  58          2HD1      LEU  58  -5.290   3.863   2.460
  462   3HD1  LEU  58          3HD1      LEU  58  -5.067   5.442   3.213
  463   1HD2  LEU  58          1HD2      LEU  58  -8.344   5.425   4.467
  464   2HD2  LEU  58          2HD2      LEU  58  -6.838   6.343   4.455
  465   3HD2  LEU  58          3HD2      LEU  58  -7.241   5.327   5.840
  466    H    GLY  59           H        GLY  59 -10.558   3.083   4.243
  467   1HA   GLY  59          2HA       GLY  59 -11.575   0.359   3.967
  468   2HA   GLY  59          1HA       GLY  59 -12.537   1.830   4.001
  469    HA   PRO  60           HA       PRO  60 -11.854   0.222  -0.417
  470   1HB   PRO  60          2HB       PRO  60 -14.454  -0.402  -0.955
  471   2HB   PRO  60          1HB       PRO  60 -13.289  -1.565  -0.313
  472   1HG   PRO  60          2HG       PRO  60 -15.387   0.008   1.127
  473   2HG   PRO  60          1HG       PRO  60 -14.920  -1.690   1.335
  474   1HD   PRO  60          2HD       PRO  60 -14.091   0.261   3.015
  475   2HD   PRO  60          1HD       PRO  60 -13.093  -1.158   2.639
  476    H    LYS  61           H        LYS  61 -14.034   2.377   1.235
  477    HA   LYS  61           HA       LYS  61 -15.056   3.718  -1.047
  478   1HB   LYS  61          2HB       LYS  61 -14.745   4.700   1.797
  479   2HB   LYS  61          1HB       LYS  61 -15.715   5.476   0.553
  480   1HG   LYS  61          2HG       LYS  61 -16.441   2.703   0.828
  481   2HG   LYS  61          1HG       LYS  61 -16.535   3.538   2.379
  482   1HD   LYS  61          2HD       LYS  61 -17.877   5.320   1.240
  483   2HD   LYS  61          1HD       LYS  61 -17.911   4.292  -0.195
  484   1HE   LYS  61          2HE       LYS  61 -18.906   3.440   2.519
  485   2HE   LYS  61          1HE       LYS  61 -19.937   4.118   1.259
  486   1HZ   LYS  61          1HZ       LYS  61 -18.246   1.784   0.663
  487   2HZ   LYS  61          2HZ       LYS  61 -19.701   2.260  -0.053
  488   3HZ   LYS  61          3HZ       LYS  61 -19.707   1.568   1.490
  489    H    ASP  62           H        ASP  62 -12.132   3.957   0.811
  490    HA   ASP  62           HA       ASP  62 -11.348   6.397  -0.615
  491   1HB   ASP  62          2HB       ASP  62 -10.376   5.049   1.882
  492   2HB   ASP  62          1HB       ASP  62  -9.318   6.161   1.018
  493    H    LEU  63           H        LEU  63 -11.368   3.367  -1.447
  494    HA   LEU  63           HA       LEU  63  -8.593   3.268  -2.408
  495   1HB   LEU  63          2HB       LEU  63 -10.531   1.231  -1.518
  496   2HB   LEU  63          1HB       LEU  63  -9.627   0.805  -2.957
  497    HG   LEU  63           HG       LEU  63  -7.578   0.816  -1.821
  498   1HD1  LEU  63          1HD1      LEU  63  -7.716   2.901  -0.654
  499   2HD1  LEU  63          2HD1      LEU  63  -7.341   1.633   0.514
  500   3HD1  LEU  63          3HD1      LEU  63  -8.979   2.276   0.407
  501   1HD2  LEU  63          1HD2      LEU  63  -8.254  -0.412   0.435
  502   2HD2  LEU  63          2HD2      LEU  63  -8.426  -1.177  -1.144
  503   3HD2  LEU  63          3HD2      LEU  63  -9.826  -0.443  -0.364
  504    H    PHE  64           H        PHE  64  -8.184   3.237  -4.564
  505    HA   PHE  64           HA       PHE  64 -10.461   3.015  -6.415
  506   1HB   PHE  64          2HB       PHE  64  -8.291   5.114  -6.631
  507   2HB   PHE  64          1HB       PHE  64  -9.680   4.922  -7.693
  508    HD1  PHE  64           1HD      PHE  64 -11.448   6.341  -7.374
  509    HD2  PHE  64           2HD      PHE  64  -8.962   5.376  -4.056
  510    HE1  PHE  64           1HE      PHE  64 -12.746   7.879  -5.959
  511    HE2  PHE  64           2HE      PHE  64 -10.257   6.911  -2.635
  512    HZ   PHE  64           HZ       PHE  64 -12.153   8.165  -3.586
  513    HA   PRO  65           HA       PRO  65  -7.889   0.241  -8.682
  514   1HB   PRO  65          2HB       PRO  65  -8.736   0.858 -11.236
  515   2HB   PRO  65          1HB       PRO  65  -9.588  -0.227 -10.134
  516   1HG   PRO  65          2HG       PRO  65 -10.113   2.652 -10.741
  517   2HG   PRO  65          1HG       PRO  65 -11.266   1.331 -10.486
  518   1HD   PRO  65          2HD       PRO  65 -10.750   3.149  -8.581
  519   2HD   PRO  65          1HD       PRO  65 -11.081   1.449  -8.185
  520    H    TYR  66           H        TYR  66  -5.786   0.748  -8.721
  521    HA   TYR  66           HA       TYR  66  -4.594   3.146  -9.305
  522   1HB   TYR  66          2HB       TYR  66  -3.350   1.390  -8.239
  523   2HB   TYR  66          1HB       TYR  66  -3.511   0.347  -9.650
  524    HD1  TYR  66           1HD      TYR  66  -2.068   3.611  -8.581
  525    HD2  TYR  66           2HD      TYR  66  -1.838   0.318 -11.263
  526    HE1  TYR  66           1HE      TYR  66   0.043   4.499  -9.483
  527    HE2  TYR  66           2HE      TYR  66   0.270   1.191 -12.168
  528    HH   TYR  66           HH       TYR  66   1.440   3.356 -12.348
  529    H    GLU  67           H        GLU  67  -4.660   0.384 -11.570
  530    HA   GLU  67           HA       GLU  67  -3.573   1.642 -13.768
  531   1HB   GLU  67          2HB       GLU  67  -5.467  -0.632 -13.422
  532   2HB   GLU  67          1HB       GLU  67  -5.240   0.007 -15.044
  533   1HG   GLU  67          2HG       GLU  67  -3.358  -1.126 -15.257
  534   2HG   GLU  67          1HG       GLU  67  -2.686  -0.323 -13.838
  535    H    GLU  68           H        GLU  68  -6.926   1.635 -12.712
  536    HA   GLU  68           HA       GLU  68  -7.959   3.040 -14.950
  537   1HB   GLU  68          2HB       GLU  68  -9.085   1.611 -12.955
  538   2HB   GLU  68          1HB       GLU  68  -9.411   3.244 -12.392
  539   1HG   GLU  68          2HG       GLU  68 -10.674   3.766 -14.299
  540   2HG   GLU  68          1HG       GLU  68 -10.080   2.355 -15.175
  541    H    SER  69           H        SER  69  -6.833   4.068 -11.754
  542    HA   SER  69           HA       SER  69  -7.455   6.847 -12.471
  543   1HB   SER  69          2HB       SER  69  -6.954   5.445  -9.870
  544   2HB   SER  69          1HB       SER  69  -6.747   7.193  -9.985
  545    HG   SER  69           HG       SER  69  -9.098   5.781 -10.720
  546    H    LYS  70           H        LYS  70  -4.951   4.944 -13.083
  547    HA   LYS  70           HA       LYS  70  -2.665   6.059 -12.008
  548   1HB   LYS  70          2HB       LYS  70  -3.380   4.479 -14.353
  549   2HB   LYS  70          1HB       LYS  70  -1.992   5.516 -14.638
  550   1HG   LYS  70          2HG       LYS  70  -1.146   4.524 -12.386
  551   2HG   LYS  70          1HG       LYS  70  -2.299   3.238 -12.754
  552   1HD   LYS  70          2HD       LYS  70  -0.033   4.176 -14.509
  553   2HD   LYS  70          1HD       LYS  70  -0.106   2.658 -13.614
  554   1HE   LYS  70          2HE       LYS  70  -0.903   1.792 -15.519
  555   2HE   LYS  70          1HE       LYS  70  -2.417   2.574 -15.066
  556   1HZ   LYS  70          1HZ       LYS  70  -2.175   3.459 -17.114
  557   2HZ   LYS  70          2HZ       LYS  70  -0.490   3.310 -17.123
  558   3HZ   LYS  70          3HZ       LYS  70  -1.221   4.586 -16.286
  559    H    GLU  71           H        GLU  71  -4.282   6.943 -15.034
  560    HA   GLU  71           HA       GLU  71  -2.587   9.167 -15.553
  561   1HB   GLU  71          2HB       GLU  71  -5.312   8.668 -16.738
  562   2HB   GLU  71          1HB       GLU  71  -3.986   9.587 -17.439
  563   1HG   GLU  71          2HG       GLU  71  -2.860   7.726 -18.110
  564   2HG   GLU  71          1HG       GLU  71  -3.508   6.725 -16.809
  565    H    LYS  72           H        LYS  72  -5.342   8.759 -13.543
  566    HA   LYS  72           HA       LYS  72  -6.147  11.530 -13.652
  567   1HB   LYS  72          2HB       LYS  72  -7.460   9.217 -13.052
  568   2HB   LYS  72          1HB       LYS  72  -7.146   9.860 -11.446
  569   1HG   LYS  72          2HG       LYS  72  -8.495  11.678 -11.756
  570   2HG   LYS  72          1HG       LYS  72  -8.282  11.676 -13.507
  571   1HD   LYS  72          2HD       LYS  72  -9.939  10.156 -13.844
  572   2HD   LYS  72          1HD       LYS  72  -9.636   9.327 -12.316
  573   1HE   LYS  72          2HE       LYS  72 -10.550  11.522 -11.257
  574   2HE   LYS  72          1HE       LYS  72 -11.252  11.785 -12.853
  575   1HZ   LYS  72          1HZ       LYS  72 -12.933  10.605 -11.968
  576   2HZ   LYS  72          2HZ       LYS  72 -11.960   9.841 -10.815
  577   3HZ   LYS  72          3HZ       LYS  72 -11.987   9.272 -12.407
  578    H    PHE  73           H        PHE  73  -4.724   9.374 -11.190
  579    HA   PHE  73           HA       PHE  73  -3.980  11.770  -9.649
  580   1HB   PHE  73          2HB       PHE  73  -3.978   8.923  -8.658
  581   2HB   PHE  73          1HB       PHE  73  -3.905  10.399  -7.703
  582    HD1  PHE  73           1HD      PHE  73  -6.055  11.984  -8.983
  583    HD2  PHE  73           2HD      PHE  73  -5.902   7.870  -7.903
  584    HE1  PHE  73           1HE      PHE  73  -8.504  11.956  -8.757
  585    HE2  PHE  73           2HE      PHE  73  -8.352   7.835  -7.678
  586    HZ   PHE  73           HZ       PHE  73  -9.656   9.880  -8.105
  587    H    GLY  74           H        GLY  74  -2.564   9.660 -11.807
  588   1HA   GLY  74          2HA       GLY  74  -0.063   9.300 -10.421
  589   2HA   GLY  74          1HA       GLY  74  -0.400   8.882 -12.092
  590    H    LYS  75           H        LYS  75   0.151  11.693  -9.974
  591    HA   LYS  75           HA       LYS  75   1.915  12.818 -11.984
  592   1HB   LYS  75          2HB       LYS  75  -0.636  14.133 -11.079
  593   2HB   LYS  75          1HB       LYS  75   0.722  15.077 -11.677
  594   1HG   LYS  75          2HG       LYS  75  -0.528  12.848 -13.256
  595   2HG   LYS  75          1HG       LYS  75  -1.080  14.522 -13.349
  596   1HD   LYS  75          2HD       LYS  75   0.641  15.123 -14.645
  597   2HD   LYS  75          1HD       LYS  75   1.808  14.275 -13.628
  598   1HE   LYS  75          2HE       LYS  75   2.034  12.898 -15.382
  599   2HE   LYS  75          1HE       LYS  75   0.510  12.202 -14.833
  600   1HZ   LYS  75          1HZ       LYS  75   0.740  14.391 -16.826
  601   2HZ   LYS  75          2HZ       LYS  75  -0.679  13.598 -16.361
  602   3HZ   LYS  75          3HZ       LYS  75   0.517  12.759 -17.213
  603    HA   PRO  76           HA       PRO  76   4.416  14.087  -8.597
  604   1HB   PRO  76          2HB       PRO  76   4.420  16.806  -9.822
  605   2HB   PRO  76          1HB       PRO  76   5.780  15.801  -9.312
  606   1HG   PRO  76          2HG       PRO  76   5.176  16.052 -11.891
  607   2HG   PRO  76          1HG       PRO  76   5.705  14.494 -11.227
  608   1HD   PRO  76          2HD       PRO  76   2.971  15.391 -12.013
  609   2HD   PRO  76          1HD       PRO  76   3.712  13.783 -12.138
  610    H    ASN  77           H        ASN  77   4.359  15.240  -6.651
  611    HA   ASN  77           HA       ASN  77   2.063  17.031  -6.252
  612   1HB   ASN  77          2HB       ASN  77   2.500  14.398  -5.018
  613   2HB   ASN  77          1HB       ASN  77   2.096  15.679  -3.880
  614   1HD2  ASN  77          1HD2      ASN  77   0.900  13.437  -6.056
  615   2HD2  ASN  77          2HD2      ASN  77  -0.726  14.014  -6.155
  616    H    LYS  78           H        LYS  78   2.148  18.134  -4.097
  617    HA   LYS  78           HA       LYS  78   4.811  19.210  -3.737
  618   1HB   LYS  78          2HB       LYS  78   2.204  20.234  -3.548
  619   2HB   LYS  78          1HB       LYS  78   2.845  20.280  -1.911
  620   1HG   LYS  78          2HG       LYS  78   3.308  22.367  -2.974
  621   2HG   LYS  78          1HG       LYS  78   4.828  21.491  -2.777
  622   1HD   LYS  78          2HD       LYS  78   5.157  21.329  -4.994
  623   2HD   LYS  78          1HD       LYS  78   3.462  20.963  -5.315
  624   1HE   LYS  78          2HE       LYS  78   3.521  23.640  -4.488
  625   2HE   LYS  78          1HE       LYS  78   4.884  23.451  -5.592
  626   1HZ   LYS  78          1HZ       LYS  78   2.013  22.998  -6.122
  627   2HZ   LYS  78          2HZ       LYS  78   3.204  22.316  -7.110
  628   3HZ   LYS  78          3HZ       LYS  78   3.098  23.998  -6.953
  629    H    ARG  79           H        ARG  79   2.872  16.828  -2.253
  630    HA   ARG  79           HA       ARG  79   3.728  17.099   0.423
  631   1HB   ARG  79          2HB       ARG  79   2.807  14.642  -1.074
  632   2HB   ARG  79          1HB       ARG  79   2.986  14.750   0.672
  633   1HG   ARG  79          2HG       ARG  79   1.159  16.547  -0.896
  634   2HG   ARG  79          1HG       ARG  79   0.649  14.997  -0.225
  635   1HD   ARG  79          2HD       ARG  79   0.820  15.730   1.951
  636   2HD   ARG  79          1HD       ARG  79   1.999  16.978   1.551
  637    HE   ARG  79           HE       ARG  79  -0.888  17.184   1.401
  638   1HH1  ARG  79          1HH1      ARG  79   2.187  18.574   0.499
  639   2HH1  ARG  79          2HH1      ARG  79   1.532  20.153   0.229
  640   1HH2  ARG  79          1HH2      ARG  79  -1.747  19.260   1.041
  641   2HH2  ARG  79          2HH2      ARG  79  -0.699  20.543   0.535
  642    H    LYS  80           H        LYS  80   5.331  16.134  -2.378
  643    HA   LYS  80           HA       LYS  80   7.403  15.341  -2.803
  644   1HB   LYS  80          2HB       LYS  80   7.846  15.877   0.139
  645   2HB   LYS  80          1HB       LYS  80   9.112  15.528  -1.031
  646   1HG   LYS  80          2HG       LYS  80   7.394  17.968  -0.794
  647   2HG   LYS  80          1HG       LYS  80   9.153  17.844  -0.819
  648   1HD   LYS  80          2HD       LYS  80   7.361  17.222  -3.176
  649   2HD   LYS  80          1HD       LYS  80   8.181  18.763  -2.919
  650   1HE   LYS  80          2HE       LYS  80   9.625  16.126  -3.065
  651   2HE   LYS  80          1HE       LYS  80   9.344  17.154  -4.469
  652   1HZ   LYS  80          1HZ       LYS  80  10.849  18.676  -3.772
  653   2HZ   LYS  80          2HZ       LYS  80  11.525  17.323  -3.015
  654   3HZ   LYS  80          3HZ       LYS  80  10.565  18.396  -2.127
  655    H    GLY  81           H        GLY  81   8.410  13.390  -2.913
  656   1HA   GLY  81          2HA       GLY  81   8.891  11.172  -2.283
  657   2HA   GLY  81          1HA       GLY  81   7.755  11.331  -0.949
  658    H    PHE  82           H        PHE  82   5.851  12.560  -3.082
  659    HA   PHE  82           HA       PHE  82   4.251  10.311  -3.492
  660   1HB   PHE  82          2HB       PHE  82   3.431  12.629  -3.574
  661   2HB   PHE  82          1HB       PHE  82   4.329  12.897  -5.064
  662    HD1  PHE  82           1HD      PHE  82   3.688  11.636  -7.117
  663    HD2  PHE  82           2HD      PHE  82   1.316  11.620  -3.586
  664    HE1  PHE  82           1HE      PHE  82   1.762  10.839  -8.422
  665    HE2  PHE  82           2HE      PHE  82  -0.612  10.823  -4.880
  666    HZ   PHE  82           HZ       PHE  82  -0.394  10.428  -7.300
  667    H    SER  83           H        SER  83   6.241  12.076  -5.864
  668    HA   SER  83           HA       SER  83   5.859  10.417  -8.041
  669   1HB   SER  83          2HB       SER  83   8.604  11.467  -7.725
  670   2HB   SER  83          1HB       SER  83   7.469  11.652  -9.061
  671    HG   SER  83           HG       SER  83   6.750  13.444  -8.205
  672    H    GLU  84           H        GLU  84   8.340  10.166  -5.505
  673    HA   GLU  84           HA       GLU  84   9.832   8.064  -6.458
  674   1HB   GLU  84          2HB       GLU  84   9.778   9.447  -4.125
  675   2HB   GLU  84          1HB       GLU  84   9.145   7.898  -3.585
  676   1HG   GLU  84          2HG       GLU  84  11.138   6.802  -4.583
  677   2HG   GLU  84          1HG       GLU  84  11.782   8.405  -4.940
  678    H    GLY  85           H        GLY  85   6.616   8.025  -5.086
  679   1HA   GLY  85          2HA       GLY  85   6.484   5.185  -4.759
  680   2HA   GLY  85          1HA       GLY  85   5.128   6.304  -4.710
  681    H    LEU  86           H        LEU  86   5.725   7.439  -7.335
  682    HA   LEU  86           HA       LEU  86   4.148   5.746  -8.928
  683   1HB   LEU  86          2HB       LEU  86   5.881   8.123  -9.493
  684   2HB   LEU  86          1HB       LEU  86   5.193   7.216 -10.826
  685    HG   LEU  86           HG       LEU  86   3.650   8.608  -8.637
  686   1HD1  LEU  86          1HD1      LEU  86   3.901  10.392  -9.940
  687   2HD1  LEU  86          2HD1      LEU  86   2.873   9.570 -11.115
  688   3HD1  LEU  86          3HD1      LEU  86   4.627   9.439 -11.234
  689   1HD2  LEU  86          1HD2      LEU  86   1.718   8.017 -10.238
  690   2HD2  LEU  86          2HD2      LEU  86   2.329   6.768  -9.153
  691   3HD2  LEU  86          3HD2      LEU  86   2.809   6.774 -10.850
  692    H    TRP  87           H        TRP  87   7.645   6.247  -8.786
  693    HA   TRP  87           HA       TRP  87   8.327   4.536 -10.928
  694   1HB   TRP  87          2HB       TRP  87   9.907   6.174 -10.080
  695   2HB   TRP  87          1HB       TRP  87   9.919   5.399  -8.498
  696    HD1  TRP  87           HD       TRP  87  11.483   5.201 -11.927
  697    HE1  TRP  87           1HE      TRP  87  13.276   3.358 -11.947
  698    HE3  TRP  87           3HE      TRP  87  10.481   3.051  -7.397
  699    HZ2  TRP  87           2HZ      TRP  87  14.146   1.260 -10.266
  700    HZ3  TRP  87           3HZ      TRP  87  11.841   1.130  -6.678
  701    HH2  TRP  87           HH       TRP  87  13.634   0.255  -8.084
  702    H    GLU  88           H        GLU  88   8.041   3.964  -7.423
  703    HA   GLU  88           HA       GLU  88   8.994   1.320  -7.435
  704   1HB   GLU  88          2HB       GLU  88   7.374   2.984  -5.564
  705   2HB   GLU  88          1HB       GLU  88   7.414   1.247  -5.300
  706   1HG   GLU  88          2HG       GLU  88   9.880   2.948  -5.539
  707   2HG   GLU  88          1HG       GLU  88   9.095   2.566  -4.008
  708    H    ILE  89           H        ILE  89   5.623   2.511  -7.440
  709    HA   ILE  89           HA       ILE  89   4.336   0.071  -7.478
  710    HB   ILE  89           HB       ILE  89   3.250   2.287  -7.220
  711   1HG1  ILE  89          2HG1      ILE  89   1.541   1.295  -9.308
  712   2HG1  ILE  89          1HG1      ILE  89   2.248  -0.056  -8.424
  713   1HG2  ILE  89          1HG2      ILE  89   4.113   3.638  -8.896
  714   2HG2  ILE  89          2HG2      ILE  89   2.460   3.329  -9.419
  715   3HG2  ILE  89          3HG2      ILE  89   3.795   2.448 -10.159
  716   1HD1  ILE  89          1HD1      ILE  89   0.714   0.246  -6.867
  717   2HD1  ILE  89          2HD1      ILE  89   0.145   1.721  -7.649
  718   3HD1  ILE  89          3HD1      ILE  89   1.470   1.793  -6.486
  719    H    GLU  90           H        GLU  90   6.092   1.628 -10.026
  720    HA   GLU  90           HA       GLU  90   5.018  -0.229 -12.017
  721   1HB   GLU  90          2HB       GLU  90   6.153   1.178 -13.673
  722   2HB   GLU  90          1HB       GLU  90   5.067   2.115 -12.656
  723   1HG   GLU  90          2HG       GLU  90   6.994   2.841 -11.314
  724   2HG   GLU  90          1HG       GLU  90   8.061   1.957 -12.403
  725    H    ASN  91           H        ASN  91   8.158   0.784 -10.660
  726    HA   ASN  91           HA       ASN  91   9.561  -1.216 -12.190
  727   1HB   ASN  91          2HB       ASN  91  10.285   1.070 -10.523
  728   2HB   ASN  91          1HB       ASN  91  11.347  -0.312 -10.287
  729   1HD2  ASN  91          1HD2      ASN  91  10.015   1.877 -12.686
  730   2HD2  ASN  91          2HD2      ASN  91  11.297   1.699 -13.831
  731    H    ASN  92           H        ASN  92   8.280  -0.944  -8.949
  732    HA   ASN  92           HA       ASN  92   8.793  -3.756  -8.525
  733   1HB   ASN  92          2HB       ASN  92  10.759  -2.086  -7.661
  734   2HB   ASN  92          1HB       ASN  92   9.728  -2.146  -6.234
  735   1HD2  ASN  92          1HD2      ASN  92  11.952  -3.120  -5.619
  736   2HD2  ASN  92          2HD2      ASN  92  12.034  -4.845  -5.687
  737    HA   PRO  93           HA       PRO  93   4.866  -2.341  -6.621
  738   1HB   PRO  93          2HB       PRO  93   3.349  -4.381  -7.494
  739   2HB   PRO  93          1HB       PRO  93   3.752  -3.007  -8.532
  740   1HG   PRO  93          2HG       PRO  93   4.980  -5.734  -8.438
  741   2HG   PRO  93          1HG       PRO  93   4.543  -4.752  -9.848
  742   1HD   PRO  93          2HD       PRO  93   7.089  -4.944  -8.863
  743   2HD   PRO  93          1HD       PRO  93   6.481  -3.533  -9.750
  744    H    THR  94           H        THR  94   6.811  -5.166  -6.334
  745    HA   THR  94           HA       THR  94   5.287  -6.068  -3.994
  746    HB   THR  94           HB       THR  94   6.331  -8.193  -4.231
  747    HG1  THR  94           1HG      THR  94   7.997  -8.508  -5.781
  748   1HG2  THR  94          1HG2      THR  94   5.007  -8.727  -5.911
  749   2HG2  THR  94          2HG2      THR  94   6.226  -8.139  -7.043
  750   3HG2  THR  94          3HG2      THR  94   4.972  -7.049  -6.451
  751    H    VAL  95           H        VAL  95   7.512  -3.865  -4.399
  752    HA   VAL  95           HA       VAL  95   9.743  -4.627  -2.894
  753    HB   VAL  95           HB       VAL  95   9.676  -2.587  -4.267
  754   1HG1  VAL  95          1HG1      VAL  95   7.412  -1.985  -2.573
  755   2HG1  VAL  95          2HG1      VAL  95   7.902  -1.254  -4.102
  756   3HG1  VAL  95          3HG1      VAL  95   8.580  -0.663  -2.584
  757   1HG2  VAL  95          1HG2      VAL  95  11.367  -2.828  -2.512
  758   2HG2  VAL  95          2HG2      VAL  95  10.283  -2.046  -1.360
  759   3HG2  VAL  95          3HG2      VAL  95  10.909  -1.140  -2.739
  760    H    LYS  96           H        LYS  96  10.302  -4.333  -0.736
  761    HA   LYS  96           HA       LYS  96   8.319  -3.403   1.156
  762   1HB   LYS  96          2HB       LYS  96   9.171  -6.275   0.964
  763   2HB   LYS  96          1HB       LYS  96   8.646  -5.588   2.494
  764   1HG   LYS  96          2HG       LYS  96   6.489  -5.034   1.534
  765   2HG   LYS  96          1HG       LYS  96   7.013  -5.648  -0.035
  766   1HD   LYS  96          2HD       LYS  96   6.697  -7.795   0.562
  767   2HD   LYS  96          1HD       LYS  96   7.333  -7.537   2.188
  768   1HE   LYS  96          2HE       LYS  96   5.263  -6.725   2.977
  769   2HE   LYS  96          1HE       LYS  96   4.627  -6.538   1.342
  770   1HZ   LYS  96          1HZ       LYS  96   5.284  -9.137   2.622
  771   2HZ   LYS  96          2HZ       LYS  96   4.587  -8.921   1.096
  772   3HZ   LYS  96          3HZ       LYS  96   3.727  -8.490   2.487
  773    H    ALA  97           H        ALA  97  11.163  -2.883   0.230
  774    HA   ALA  97           HA       ALA  97  13.190  -2.323   1.111
  775   1HB   ALA  97          1HB       ALA  97  11.282  -1.094   2.570
  776   2HB   ALA  97          2HB       ALA  97  13.013  -0.847   2.802
  777   3HB   ALA  97          3HB       ALA  97  12.136  -1.975   3.836
  778    H    SER  98           H        SER  98  12.392  -5.157   1.248
  779    HA   SER  98           HA       SER  98  13.835  -6.034   3.650
  780   1HB   SER  98          2HB       SER  98  11.480  -6.962   2.484
  781   2HB   SER  98          1HB       SER  98  12.684  -8.169   2.038
  782    HG   SER  98           HG       SER  98  12.596  -8.861   4.007
  783    H    GLY  99           H        GLY  99  15.481  -4.926   1.809
  784   1HA   GLY  99          2HA       GLY  99  16.750  -7.263   0.516
  785   2HA   GLY  99          1HA       GLY  99  16.821  -5.635  -0.142
  786    H    TYR 100           H        TYR 100  17.647  -7.427   2.825
  787    HA   TYR 100           HA       TYR 100  20.273  -6.158   2.796
  788   1HB   TYR 100          2HB       TYR 100  18.156  -5.545   4.712
  789   2HB   TYR 100          1HB       TYR 100  19.641  -6.079   5.491
  790    HD1  TYR 100           1HD      TYR 100  21.787  -4.855   4.960
  791    HD2  TYR 100           2HD      TYR 100  17.961  -3.376   3.837
  792    HE1  TYR 100           1HE      TYR 100  22.742  -2.609   4.683
  793    HE2  TYR 100           2HE      TYR 100  18.905  -1.127   3.556
  794    HH   TYR 100           HH       TYR 100  21.335  -0.201   3.027
  795    H    GLN 101           H        GLN 101  19.335  -8.838   2.253
  796    HA   GLN 101           HA       GLN 101  20.038 -10.445   4.550
  797   1HB   GLN 101          2HB       GLN 101  18.358 -10.943   2.560
  798   2HB   GLN 101          1HB       GLN 101  19.805 -11.610   1.815
  799   1HG   GLN 101          2HG       GLN 101  19.989 -13.300   3.361
  800   2HG   GLN 101          1HG       GLN 101  19.077 -12.422   4.587
  801   1HE2  GLN 101          1HE2      GLN 101  17.932 -14.457   4.815
  802   2HE2  GLN 101          2HE2      GLN 101  16.622 -14.812   3.747
  803    H    SER 102           H        SER 102  21.678 -12.222   4.280
  804    HA   SER 102           HA       SER 102  23.935 -11.482   2.573
  805   1HB   SER 102          2HB       SER 102  24.184 -10.430   4.882
  806   2HB   SER 102          1HB       SER 102  24.347 -12.071   5.505
  807    HG   SER 102           HG       SER 102  25.962 -11.080   3.406
  808    H    SER 103           H        SER 103  23.032 -13.773   5.155
  809    HA   SER 103           HA       SER 103  23.122 -16.038   5.284
  810   1HB   SER 103          2HB       SER 103  21.702 -16.117   3.352
  811   2HB   SER 103          1HB       SER 103  23.052 -15.770   2.273
  812    HG   SER 103           HG       SER 103  22.972 -18.067   3.923
  813    H    GLN 104           H        GLN 104  25.041 -15.755   2.314
  814    HA   GLN 104           HA       GLN 104  27.134 -17.358   3.409
  815   1HB   GLN 104          2HB       GLN 104  27.071 -15.725   0.865
  816   2HB   GLN 104          1HB       GLN 104  28.278 -16.937   1.271
  817   1HG   GLN 104          2HG       GLN 104  26.660 -18.687   1.169
  818   2HG   GLN 104          1HG       GLN 104  25.342 -17.526   1.004
  819   1HE2  GLN 104          1HE2      GLN 104  25.815 -15.930  -0.907
  820   2HE2  GLN 104          2HE2      GLN 104  26.235 -16.703  -2.393
  821    H    LYS 105           H        LYS 105  29.475 -16.586   3.181
  822    HA   LYS 105           HA       LYS 105  30.154 -13.873   3.403
  823   1HB   LYS 105          2HB       LYS 105  28.891 -14.043   5.526
  824   2HB   LYS 105          1HB       LYS 105  29.987 -15.311   6.058
  825   1HG   LYS 105          2HG       LYS 105  31.788 -13.829   6.256
  826   2HG   LYS 105          1HG       LYS 105  30.980 -12.585   5.299
  827   1HD   LYS 105          2HD       LYS 105  29.197 -12.755   7.246
  828   2HD   LYS 105          1HD       LYS 105  30.594 -13.348   8.149
  829   1HE   LYS 105          2HE       LYS 105  31.349 -11.275   8.399
  830   2HE   LYS 105          1HE       LYS 105  31.365 -11.042   6.651
  831   1HZ   LYS 105          1HZ       LYS 105  28.835 -10.809   8.137
  832   2HZ   LYS 105          2HZ       LYS 105  29.283 -10.094   6.671
  833   3HZ   LYS 105          3HZ       LYS 105  29.922  -9.513   8.124
  834    H    LYS 106           H        LYS 106  32.387 -13.544   3.655
  835    HA   LYS 106           HA       LYS 106  34.590 -14.063   3.444
  836   1HB   LYS 106          2HB       LYS 106  33.615 -16.289   5.203
  837   2HB   LYS 106          1HB       LYS 106  35.277 -16.276   4.632
  838   1HG   LYS 106          2HG       LYS 106  34.161 -13.844   5.949
  839   2HG   LYS 106          1HG       LYS 106  34.665 -15.221   6.931
  840   1HD   LYS 106          2HD       LYS 106  36.580 -14.403   4.855
  841   2HD   LYS 106          1HD       LYS 106  36.310 -13.215   6.133
  842   1HE   LYS 106          2HE       LYS 106  37.212 -14.546   7.750
  843   2HE   LYS 106          1HE       LYS 106  36.729 -16.039   6.945
  844   1HZ   LYS 106          1HZ       LYS 106  38.910 -16.142   6.475
  845   2HZ   LYS 106          2HZ       LYS 106  39.156 -14.478   6.649
  846   3HZ   LYS 106          3HZ       LYS 106  38.511 -15.089   5.211
  847    H    SER 107           H        SER 107  34.370 -14.284   1.169
  848    HA   SER 107           HA       SER 107  34.602 -15.328  -0.839
  849   1HB   SER 107          2HB       SER 107  35.760 -17.576   0.826
  850   2HB   SER 107          1HB       SER 107  36.011 -17.317  -0.900
  851    HG   SER 107           HG       SER 107  37.615 -16.099  -0.340
  852    H    CYS 108           H        CYS 108  32.451 -15.581  -1.384
  853    HA   CYS 108           HA       CYS 108  31.535 -18.241  -1.720
  854   1HB   CYS 108          2HB       CYS 108  30.596 -16.753   0.645
  855   2HB   CYS 108          1HB       CYS 108  29.317 -17.466  -0.332
  856    HG   CYS 108           HG       CYS 108  30.513 -19.807   0.056
  857    H    ALA 109           H        ALA 109  29.923 -15.109  -1.148
  858    HA   ALA 109           HA       ALA 109  28.245 -15.393  -3.434
  859   1HB   ALA 109          1HB       ALA 109  27.369 -14.130  -1.647
  860   2HB   ALA 109          2HB       ALA 109  27.690 -12.969  -2.935
  861   3HB   ALA 109          3HB       ALA 109  28.798 -13.101  -1.569
  862    H    GLU 110           H        GLU 110  28.181 -13.928  -5.267
  863    HA   GLU 110           HA       GLU 110  30.825 -13.521  -6.364
  864   1HB   GLU 110          2HB       GLU 110  28.090 -13.733  -7.396
  865   2HB   GLU 110          1HB       GLU 110  29.056 -12.520  -8.224
  866   1HG   GLU 110          2HG       GLU 110  30.787 -14.227  -8.636
  867   2HG   GLU 110          1HG       GLU 110  29.740 -15.431  -7.885
  Start of MODEL   26
    1   1H    MET   1          1HT       MET   1 -25.087 -13.757   2.227
    2   2H    MET   1          2HT       MET   1 -24.282 -13.863   0.714
    3   3H    MET   1          3HT       MET   1 -24.668 -15.291   1.585
    4    HA   MET   1           HA       MET   1 -26.116 -14.784  -0.325
    5   1HB   MET   1          2HB       MET   1 -27.117 -15.092   2.500
    6   2HB   MET   1          1HB       MET   1 -28.207 -15.173   1.122
    7   1HG   MET   1          2HG       MET   1 -26.328 -16.918   0.327
    8   2HG   MET   1          1HG       MET   1 -26.206 -17.108   2.075
    9   1HE   MET   1          1HE       MET   1 -28.021 -19.950   2.337
   10   2HE   MET   1          2HE       MET   1 -26.509 -19.352   1.653
   11   3HE   MET   1          3HE       MET   1 -27.731 -20.067   0.601
   12    H    SER   2           H        SER   2 -26.339 -12.861  -1.355
   13    HA   SER   2           HA       SER   2 -28.017 -10.844  -0.026
   14   1HB   SER   2          2HB       SER   2 -25.976  -9.903  -1.982
   15   2HB   SER   2          1HB       SER   2 -26.628  -9.094  -0.556
   16    HG   SER   2           HG       SER   2 -25.404 -10.745   0.659
   17    H    ARG   3           H        ARG   3 -29.181  -9.433  -1.525
   18    HA   ARG   3           HA       ARG   3 -30.215 -10.957  -3.751
   19   1HB   ARG   3          2HB       ARG   3 -30.997  -8.158  -2.939
   20   2HB   ARG   3          1HB       ARG   3 -31.937  -9.304  -3.883
   21   1HG   ARG   3          2HG       ARG   3 -31.200 -10.301  -1.242
   22   2HG   ARG   3          1HG       ARG   3 -32.200  -8.847  -1.201
   23   1HD   ARG   3          2HD       ARG   3 -33.647 -10.754  -1.177
   24   2HD   ARG   3          1HD       ARG   3 -33.789  -9.972  -2.751
   25    HE   ARG   3           HE       ARG   3 -31.922 -11.850  -3.208
   26   1HH1  ARG   3          1HH1      ARG   3 -35.072 -12.002  -1.712
   27   2HH1  ARG   3          2HH1      ARG   3 -35.362 -13.638  -2.199
   28   1HH2  ARG   3          1HH2      ARG   3 -32.302 -14.002  -3.850
   29   2HH2  ARG   3          2HH2      ARG   3 -33.790 -14.772  -3.414
   30    H    SER   4           H        SER   4 -28.736  -7.742  -3.334
   31    HA   SER   4           HA       SER   4 -28.047  -7.791  -6.199
   32   1HB   SER   4          2HB       SER   4 -28.034  -5.357  -6.142
   33   2HB   SER   4          1HB       SER   4 -29.574  -5.950  -5.521
   34    HG   SER   4           HG       SER   4 -27.362  -5.013  -4.011
   35    H    ASN   5           H        ASN   5 -26.116  -6.013  -6.448
   36    HA   ASN   5           HA       ASN   5 -23.989  -6.950  -4.635
   37   1HB   ASN   5          2HB       ASN   5 -23.920  -6.349  -7.591
   38   2HB   ASN   5          1HB       ASN   5 -22.457  -6.484  -6.620
   39   1HD2  ASN   5          1HD2      ASN   5 -22.548  -8.539  -5.155
   40   2HD2  ASN   5          2HD2      ASN   5 -22.952  -9.995  -5.994
   41    H    ARG   6           H        ARG   6 -22.139  -5.446  -4.412
   42    HA   ARG   6           HA       ARG   6 -22.358  -2.715  -5.117
   43   1HB   ARG   6          2HB       ARG   6 -23.725  -3.557  -2.694
   44   2HB   ARG   6          1HB       ARG   6 -22.492  -2.348  -2.357
   45   1HG   ARG   6          2HG       ARG   6 -23.541  -0.730  -3.628
   46   2HG   ARG   6          1HG       ARG   6 -24.443  -1.913  -4.576
   47   1HD   ARG   6          2HD       ARG   6 -25.265  -2.341  -1.955
   48   2HD   ARG   6          1HD       ARG   6 -25.158  -0.588  -2.102
   49    HE   ARG   6           HE       ARG   6 -26.521  -1.215  -4.307
   50   1HH1  ARG   6          1HH1      ARG   6 -26.939  -2.246  -0.995
   51   2HH1  ARG   6          2HH1      ARG   6 -28.649  -2.471  -1.153
   52   1HH2  ARG   6          1HH2      ARG   6 -28.769  -1.509  -4.509
   53   2HH2  ARG   6          2HH2      ARG   6 -29.687  -2.052  -3.145
   54    H    GLN   7           H        GLN   7 -20.485  -1.593  -4.685
   55    HA   GLN   7           HA       GLN   7 -18.287  -1.273  -4.210
   56   1HB   GLN   7          2HB       GLN   7 -19.426  -1.901  -1.842
   57   2HB   GLN   7          1HB       GLN   7 -18.248  -3.200  -1.965
   58   1HG   GLN   7          2HG       GLN   7 -16.484  -1.492  -2.319
   59   2HG   GLN   7          1HG       GLN   7 -17.695  -0.244  -2.026
   60   1HE2  GLN   7          1HE2      GLN   7 -16.709  -3.304  -0.508
   61   2HE2  GLN   7          2HE2      GLN   7 -16.636  -2.678   1.101
   62    H    LYS   8           H        LYS   8 -16.204  -2.221  -4.436
   63    HA   LYS   8           HA       LYS   8 -16.300  -4.934  -5.573
   64   1HB   LYS   8          2HB       LYS   8 -15.626  -3.021  -7.071
   65   2HB   LYS   8          1HB       LYS   8 -14.200  -2.818  -6.062
   66   1HG   LYS   8          2HG       LYS   8 -14.305  -5.541  -6.772
   67   2HG   LYS   8          1HG       LYS   8 -14.630  -4.615  -8.238
   68   1HD   LYS   8          2HD       LYS   8 -12.409  -3.670  -6.523
   69   2HD   LYS   8          1HD       LYS   8 -12.155  -5.185  -7.393
   70   1HE   LYS   8          2HE       LYS   8 -11.346  -3.400  -8.763
   71   2HE   LYS   8          1HE       LYS   8 -12.832  -4.015  -9.487
   72   1HZ   LYS   8          1HZ       LYS   8 -14.037  -2.161  -8.692
   73   2HZ   LYS   8          2HZ       LYS   8 -12.627  -1.538  -9.389
   74   3HZ   LYS   8          3HZ       LYS   8 -12.761  -1.644  -7.707
   75    H    GLU   9           H        GLU   9 -14.695  -6.438  -5.045
   76    HA   GLU   9           HA       GLU   9 -13.427  -5.952  -2.455
   77   1HB   GLU   9          2HB       GLU   9 -14.566  -8.254  -3.793
   78   2HB   GLU   9          1HB       GLU   9 -12.941  -8.602  -3.220
   79   1HG   GLU   9          2HG       GLU   9 -13.682  -7.688  -0.981
   80   2HG   GLU   9          1HG       GLU   9 -15.325  -7.732  -1.620
   81    H    TYR  10           H        TYR  10 -11.235  -6.125  -2.103
   82    HA   TYR  10           HA       TYR  10  -9.560  -6.217  -4.531
   83   1HB   TYR  10          2HB       TYR  10  -9.183  -4.742  -1.919
   84   2HB   TYR  10          1HB       TYR  10  -7.903  -4.917  -3.117
   85    HD1  TYR  10           1HD      TYR  10  -8.126  -3.840  -5.332
   86    HD2  TYR  10           2HD      TYR  10 -10.980  -3.199  -2.245
   87    HE1  TYR  10           1HE      TYR  10  -8.982  -1.877  -6.539
   88    HE2  TYR  10           2HE      TYR  10 -11.844  -1.233  -3.442
   89    HH   TYR  10           HH       TYR  10 -11.856  -0.495  -5.999
   90    H    LYS  11           H        LYS  11  -7.420  -7.180  -4.305
   91    HA   LYS  11           HA       LYS  11  -7.236  -9.119  -2.106
   92   1HB   LYS  11          2HB       LYS  11  -7.127  -9.612  -5.050
   93   2HB   LYS  11          1HB       LYS  11  -6.146 -10.611  -3.986
   94   1HG   LYS  11          2HG       LYS  11  -8.841 -10.396  -2.990
   95   2HG   LYS  11          1HG       LYS  11  -8.825 -10.975  -4.657
   96   1HD   LYS  11          2HD       LYS  11  -7.110 -12.143  -2.472
   97   2HD   LYS  11          1HD       LYS  11  -8.706 -12.766  -2.896
   98   1HE   LYS  11          2HE       LYS  11  -8.003 -13.471  -5.005
   99   2HE   LYS  11          1HE       LYS  11  -6.579 -12.432  -4.980
  100   1HZ   LYS  11          1HZ       LYS  11  -5.506 -14.280  -4.390
  101   2HZ   LYS  11          2HZ       LYS  11  -6.921 -15.099  -3.958
  102   3HZ   LYS  11          3HZ       LYS  11  -6.179 -14.052  -2.855
  103    H    CYS  12           H        CYS  12  -5.078  -9.947  -1.722
  104    HA   CYS  12           HA       CYS  12  -3.151  -7.992  -1.432
  105   1HB   CYS  12          2HB       CYS  12  -3.412 -10.602  -0.653
  106   2HB   CYS  12          1HB       CYS  12  -2.063 -10.704  -1.778
  107    HG   CYS  12           HG       CYS  12  -2.006  -9.380   0.976
  108    H    GLY  13           H        GLY  13  -1.598  -7.117  -2.713
  109   1HA   GLY  13          2HA       GLY  13   0.048  -7.161  -4.412
  110   2HA   GLY  13          1HA       GLY  13  -0.782  -8.524  -5.142
  111    H    ASP  14           H        ASP  14  -3.300  -6.665  -4.592
  112    HA   ASP  14           HA       ASP  14  -3.477  -5.750  -7.281
  113   1HB   ASP  14          2HB       ASP  14  -5.341  -6.432  -5.517
  114   2HB   ASP  14          1HB       ASP  14  -5.324  -4.703  -5.183
  115    H    LEU  15           H        LEU  15  -3.245  -3.739  -8.139
  116    HA   LEU  15           HA       LEU  15  -1.908  -1.760  -6.468
  117   1HB   LEU  15          2HB       LEU  15  -2.390  -1.781  -9.449
  118   2HB   LEU  15          1HB       LEU  15  -1.410  -0.616  -8.583
  119    HG   LEU  15           HG       LEU  15  -0.825  -3.559  -8.912
  120   1HD1  LEU  15          1HD1      LEU  15  -0.422  -1.631 -10.730
  121   2HD1  LEU  15          2HD1      LEU  15   0.658  -3.010 -10.522
  122   3HD1  LEU  15          3HD1      LEU  15   1.056  -1.459  -9.784
  123   1HD2  LEU  15          1HD2      LEU  15  -0.183  -2.608  -6.679
  124   2HD2  LEU  15          2HD2      LEU  15   0.874  -1.487  -7.536
  125   3HD2  LEU  15          3HD2      LEU  15   1.160  -3.224  -7.642
  126    H    VAL  16           H        VAL  16  -3.025  -0.213  -5.524
  127    HA   VAL  16           HA       VAL  16  -5.315   0.955  -6.928
  128    HB   VAL  16           HB       VAL  16  -6.617   1.016  -4.817
  129   1HG1  VAL  16          1HG1      VAL  16  -5.960  -1.438  -6.318
  130   2HG1  VAL  16          2HG1      VAL  16  -7.509  -0.630  -6.079
  131   3HG1  VAL  16          3HG1      VAL  16  -6.847  -1.659  -4.809
  132   1HG2  VAL  16          1HG2      VAL  16  -4.174   0.059  -3.720
  133   2HG2  VAL  16          2HG2      VAL  16  -5.421  -1.158  -3.443
  134   3HG2  VAL  16          3HG2      VAL  16  -5.663   0.498  -2.883
  135    H    PHE  17           H        PHE  17  -6.139   2.910  -5.677
  136    HA   PHE  17           HA       PHE  17  -3.834   4.472  -4.686
  137   1HB   PHE  17          2HB       PHE  17  -6.218   5.243  -6.354
  138   2HB   PHE  17          1HB       PHE  17  -5.373   6.450  -5.394
  139    HD1  PHE  17           1HD      PHE  17  -2.690   6.280  -5.706
  140    HD2  PHE  17           2HD      PHE  17  -5.627   5.099  -8.542
  141    HE1  PHE  17           1HE      PHE  17  -1.054   6.571  -7.516
  142    HE2  PHE  17           2HE      PHE  17  -4.002   5.387 -10.359
  143    HZ   PHE  17           HZ       PHE  17  -1.709   6.125  -9.857
  144    H    ALA  18           H        ALA  18  -4.042   5.488  -2.712
  145    HA   ALA  18           HA       ALA  18  -6.605   5.096  -1.319
  146   1HB   ALA  18          1HB       ALA  18  -3.889   4.482  -0.551
  147   2HB   ALA  18          2HB       ALA  18  -5.409   3.992   0.195
  148   3HB   ALA  18          3HB       ALA  18  -4.672   5.532   0.630
  149    H    LYS  19           H        LYS  19  -7.675   6.841  -0.689
  150    HA   LYS  19           HA       LYS  19  -6.430   9.447  -1.009
  151   1HB   LYS  19          2HB       LYS  19  -8.685   8.988  -1.953
  152   2HB   LYS  19          1HB       LYS  19  -9.292   8.768  -0.316
  153   1HG   LYS  19          2HG       LYS  19  -9.880  10.934  -0.640
  154   2HG   LYS  19          1HG       LYS  19  -8.256  11.179   0.005
  155   1HD   LYS  19          2HD       LYS  19  -7.371  11.377  -2.254
  156   2HD   LYS  19          1HD       LYS  19  -8.975  11.069  -2.924
  157   1HE   LYS  19          2HE       LYS  19  -8.969  13.346  -3.009
  158   2HE   LYS  19          1HE       LYS  19  -9.612  13.122  -1.383
  159   1HZ   LYS  19          1HZ       LYS  19  -7.102  13.201  -0.748
  160   2HZ   LYS  19          2HZ       LYS  19  -7.959  14.636  -1.009
  161   3HZ   LYS  19          3HZ       LYS  19  -6.947  14.024  -2.219
  162    H    MET  20           H        MET  20  -5.959  10.836   0.582
  163    HA   MET  20           HA       MET  20  -6.708  10.112   3.331
  164   1HB   MET  20          2HB       MET  20  -4.031  10.388   2.173
  165   2HB   MET  20          1HB       MET  20  -4.266  11.352   3.623
  166   1HG   MET  20          2HG       MET  20  -5.295   9.055   4.490
  167   2HG   MET  20          1HG       MET  20  -4.176   8.420   3.285
  168   1HE   MET  20          1HE       MET  20  -1.037   8.159   5.157
  169   2HE   MET  20          2HE       MET  20  -1.738   8.205   3.539
  170   3HE   MET  20          3HE       MET  20  -2.449   7.173   4.780
  171    H    LYS  21           H        LYS  21  -6.882  11.874   4.797
  172    HA   LYS  21           HA       LYS  21  -7.962  14.227   3.649
  173   1HB   LYS  21          2HB       LYS  21  -7.591  13.114   6.331
  174   2HB   LYS  21          1HB       LYS  21  -7.475  14.868   6.286
  175   1HG   LYS  21          2HG       LYS  21  -9.665  15.131   5.888
  176   2HG   LYS  21          1HG       LYS  21  -9.737  13.751   4.790
  177   1HD   LYS  21          2HD       LYS  21  -9.502  13.456   7.777
  178   2HD   LYS  21          1HD       LYS  21 -11.053  13.533   6.941
  179   1HE   LYS  21          2HE       LYS  21 -10.404  11.585   5.591
  180   2HE   LYS  21          1HE       LYS  21  -8.876  11.500   6.467
  181   1HZ   LYS  21          1HZ       LYS  21  -9.880  10.701   8.329
  182   2HZ   LYS  21          2HZ       LYS  21 -10.940  10.066   7.173
  183   3HZ   LYS  21          3HZ       LYS  21 -11.355  11.469   8.022
  184    H    GLY  22           H        GLY  22  -6.880  15.888   2.819
  185   1HA   GLY  22          2HA       GLY  22  -5.404  17.720   2.962
  186   2HA   GLY  22          1HA       GLY  22  -4.481  16.854   4.179
  187    H    TYR  23           H        TYR  23  -4.864  14.542   1.985
  188    HA   TYR  23           HA       TYR  23  -2.653  15.434   0.252
  189   1HB   TYR  23          2HB       TYR  23  -2.731  12.598   1.222
  190   2HB   TYR  23          1HB       TYR  23  -1.361  13.546   0.653
  191    HD1  TYR  23           1HD      TYR  23  -2.396  11.930   3.403
  192    HD2  TYR  23           2HD      TYR  23  -1.273  15.873   2.278
  193    HE1  TYR  23           1HE      TYR  23  -1.769  12.409   5.733
  194    HE2  TYR  23           2HE      TYR  23  -0.640  16.364   4.602
  195    HH   TYR  23           HH       TYR  23   0.016  15.170   6.624
  196    HA   PRO  24           HA       PRO  24  -5.082  13.612  -2.955
  197   1HB   PRO  24          2HB       PRO  24  -3.284  13.430  -4.917
  198   2HB   PRO  24          1HB       PRO  24  -3.769  15.004  -4.273
  199   1HG   PRO  24          2HG       PRO  24  -1.303  13.408  -3.715
  200   2HG   PRO  24          1HG       PRO  24  -1.475  15.154  -3.958
  201   1HD   PRO  24          2HD       PRO  24  -1.297  13.904  -1.491
  202   2HD   PRO  24          1HD       PRO  24  -1.989  15.515  -1.766
  203    H    HIS  25           H        HIS  25  -5.234  11.753  -4.444
  204    HA   HIS  25           HA       HIS  25  -4.988   9.298  -3.248
  205   1HB   HIS  25          2HB       HIS  25  -4.917   9.974  -6.197
  206   2HB   HIS  25          1HB       HIS  25  -5.130   8.346  -5.567
  207    HD1  HIS  25           1HD      HIS  25  -6.883  11.665  -5.792
  208    HD2  HIS  25           2HD      HIS  25  -7.685   7.738  -4.693
  209    HE1  HIS  25           1HE      HIS  25  -9.378  11.545  -5.501
  210    HE2  HIS  25           2HE      HIS  25  -9.829   9.183  -4.748
  211    H    TRP  26           H        TRP  26  -3.213   8.260  -2.541
  212    HA   TRP  26           HA       TRP  26  -0.643   8.729  -3.865
  213   1HB   TRP  26          2HB       TRP  26  -1.187   8.865  -1.273
  214   2HB   TRP  26          1HB       TRP  26  -0.889   7.134  -1.356
  215    HD1  TRP  26           HD       TRP  26   1.641   6.450  -2.368
  216    HE1  TRP  26           1HE      TRP  26   3.893   7.625  -1.919
  217    HE3  TRP  26           3HE      TRP  26  -0.092  11.011  -0.834
  218    HZ2  TRP  26           2HZ      TRP  26   4.802  10.148  -1.041
  219    HZ3  TRP  26           3HZ      TRP  26   1.521  12.744  -0.212
  220    HH2  TRP  26           HH       TRP  26   3.909  12.318  -0.314
  221    HA   PRO  27           HA       PRO  27  -0.840   4.791  -5.983
  222   1HB   PRO  27          2HB       PRO  27   1.925   4.431  -6.091
  223   2HB   PRO  27          1HB       PRO  27   0.955   5.286  -7.295
  224   1HG   PRO  27          2HG       PRO  27   2.579   6.377  -5.041
  225   2HG   PRO  27          1HG       PRO  27   2.344   7.024  -6.676
  226   1HD   PRO  27          2HD       PRO  27   1.080   8.082  -4.567
  227   2HD   PRO  27          1HD       PRO  27   0.279   7.947  -6.147
  228    H    ALA  28           H        ALA  28  -1.376   3.019  -4.878
  229    HA   ALA  28           HA       ALA  28   0.515   1.971  -2.904
  230   1HB   ALA  28          1HB       ALA  28  -1.749   3.396  -2.184
  231   2HB   ALA  28          2HB       ALA  28  -0.767   2.368  -1.140
  232   3HB   ALA  28          3HB       ALA  28  -2.190   1.706  -1.943
  233    H    ARG  29           H        ARG  29  -0.340  -0.172  -2.007
  234    HA   ARG  29           HA       ARG  29  -1.814  -1.746  -3.978
  235   1HB   ARG  29          2HB       ARG  29   0.584  -1.932  -4.571
  236   2HB   ARG  29          1HB       ARG  29   0.924  -2.516  -2.949
  237   1HG   ARG  29          2HG       ARG  29  -0.785  -4.371  -3.512
  238   2HG   ARG  29          1HG       ARG  29  -0.509  -3.886  -5.184
  239   1HD   ARG  29          2HD       ARG  29   2.024  -4.105  -3.963
  240   2HD   ARG  29          1HD       ARG  29   1.100  -5.528  -3.482
  241    HE   ARG  29           HE       ARG  29   1.074  -4.861  -6.311
  242   1HH1  ARG  29          1HH1      ARG  29   2.465  -6.802  -3.759
  243   2HH1  ARG  29          2HH1      ARG  29   3.068  -8.010  -4.841
  244   1HH2  ARG  29          1HH2      ARG  29   1.871  -6.449  -7.729
  245   2HH2  ARG  29          2HH2      ARG  29   2.733  -7.810  -7.093
  246    H    ILE  30           H        ILE  30  -2.588  -3.795  -3.103
  247    HA   ILE  30           HA       ILE  30  -3.267  -3.588  -0.306
  248    HB   ILE  30           HB       ILE  30  -3.828  -5.894  -2.174
  249   1HG1  ILE  30          2HG1      ILE  30  -4.667  -3.755  -3.096
  250   2HG1  ILE  30          1HG1      ILE  30  -5.974  -4.842  -2.639
  251   1HG2  ILE  30          1HG2      ILE  30  -4.500  -6.789  -0.228
  252   2HG2  ILE  30          2HG2      ILE  30  -5.908  -5.746  -0.435
  253   3HG2  ILE  30          3HG2      ILE  30  -4.567  -5.225   0.585
  254   1HD1  ILE  30          1HD1      ILE  30  -5.025  -2.389  -1.196
  255   2HD1  ILE  30          2HD1      ILE  30  -6.129  -3.564  -0.482
  256   3HD1  ILE  30          3HD1      ILE  30  -6.599  -2.681  -1.934
  257    H    ASP  31           H        ASP  31  -2.458  -4.805   1.379
  258    HA   ASP  31           HA       ASP  31  -0.318  -6.699   0.695
  259   1HB   ASP  31          2HB       ASP  31   0.103  -4.310   1.906
  260   2HB   ASP  31          1HB       ASP  31  -0.120  -5.351   3.310
  261    H    GLU  32           H        GLU  32  -3.184  -6.146   2.541
  262    HA   GLU  32           HA       GLU  32  -3.237  -8.892   3.351
  263   1HB   GLU  32          2HB       GLU  32  -2.031  -7.086   5.127
  264   2HB   GLU  32          1HB       GLU  32  -3.635  -7.383   5.782
  265   1HG   GLU  32          2HG       GLU  32  -2.947  -9.897   5.263
  266   2HG   GLU  32          1HG       GLU  32  -1.335  -9.216   5.477
  267    H    MET  33           H        MET  33  -5.262  -9.568   4.130
  268    HA   MET  33           HA       MET  33  -7.438  -7.766   3.403
  269   1HB   MET  33          2HB       MET  33  -7.334 -10.735   3.933
  270   2HB   MET  33          1HB       MET  33  -8.832  -9.863   3.644
  271   1HG   MET  33          2HG       MET  33  -6.562  -9.763   1.694
  272   2HG   MET  33          1HG       MET  33  -7.738 -11.076   1.682
  273   1HE   MET  33          1HE       MET  33  -7.033  -7.398   1.475
  274   2HE   MET  33          2HE       MET  33  -8.279  -6.746   0.411
  275   3HE   MET  33          3HE       MET  33  -7.043  -7.825  -0.236
  276    HA   PRO  34           HA       PRO  34  -8.712  -7.267   7.621
  277   1HB   PRO  34          2HB       PRO  34 -11.275  -6.597   7.331
  278   2HB   PRO  34          1HB       PRO  34  -9.993  -5.578   6.665
  279   1HG   PRO  34          2HG       PRO  34 -11.807  -7.495   5.276
  280   2HG   PRO  34          1HG       PRO  34 -11.185  -5.932   4.720
  281   1HD   PRO  34          2HD       PRO  34 -10.164  -8.449   4.035
  282   2HD   PRO  34          1HD       PRO  34  -9.342  -6.895   3.806
  283    H    GLU  35           H        GLU  35  -8.711  -9.001   8.902
  284    HA   GLU  35           HA       GLU  35  -9.999 -11.408   8.539
  285   1HB   GLU  35          2HB       GLU  35  -9.878 -11.496  11.148
  286   2HB   GLU  35          1HB       GLU  35  -8.404 -11.495  10.192
  287   1HG   GLU  35          2HG       GLU  35  -9.206  -8.803  10.792
  288   2HG   GLU  35          1HG       GLU  35  -9.100  -9.760  12.268
  289    H    ALA  36           H        ALA  36 -11.098  -9.724  11.384
  290    HA   ALA  36           HA       ALA  36 -13.676  -9.027  10.500
  291   1HB   ALA  36          1HB       ALA  36 -13.428 -11.715  11.840
  292   2HB   ALA  36          2HB       ALA  36 -14.106 -11.362  10.251
  293   3HB   ALA  36          3HB       ALA  36 -14.942 -10.821  11.707
  294    H    ALA  37           H        ALA  37 -12.028 -10.458  13.289
  295    HA   ALA  37           HA       ALA  37 -12.030  -8.114  14.840
  296   1HB   ALA  37          1HB       ALA  37 -13.822  -8.292  16.253
  297   2HB   ALA  37          2HB       ALA  37 -13.953 -10.038  16.047
  298   3HB   ALA  37          3HB       ALA  37 -14.537  -8.955  14.784
  299    H    VAL  38           H        VAL  38  -9.889  -9.218  14.692
  300    HA   VAL  38           HA       VAL  38  -9.496 -10.884  17.062
  301    HB   VAL  38           HB       VAL  38  -7.856 -12.302  15.707
  302   1HG1  VAL  38          1HG1      VAL  38  -9.930 -13.584  14.646
  303   2HG1  VAL  38          2HG1      VAL  38 -10.814 -12.467  15.685
  304   3HG1  VAL  38          3HG1      VAL  38  -9.622 -13.562  16.382
  305   1HG2  VAL  38          1HG2      VAL  38  -7.988 -12.397  13.390
  306   2HG2  VAL  38          2HG2      VAL  38  -8.089 -10.667  13.716
  307   3HG2  VAL  38          3HG2      VAL  38  -9.551 -11.581  13.343
  308    H    LYS  39           H        LYS  39  -8.862  -8.089  16.034
  309    HA   LYS  39           HA       LYS  39  -6.209  -7.958  17.127
  310   1HB   LYS  39          2HB       LYS  39  -6.694  -7.346  14.211
  311   2HB   LYS  39          1HB       LYS  39  -5.326  -6.692  15.097
  312   1HG   LYS  39          2HG       LYS  39  -5.900  -9.620  14.694
  313   2HG   LYS  39          1HG       LYS  39  -4.735  -8.665  13.780
  314   1HD   LYS  39          2HD       LYS  39  -4.469  -8.573  16.720
  315   2HD   LYS  39          1HD       LYS  39  -4.083 -10.113  15.950
  316   1HE   LYS  39          2HE       LYS  39  -2.058  -8.904  16.041
  317   2HE   LYS  39          1HE       LYS  39  -2.608  -8.805  14.369
  318   1HZ   LYS  39          1HZ       LYS  39  -2.971  -6.600  14.525
  319   2HZ   LYS  39          2HZ       LYS  39  -1.827  -6.696  15.767
  320   3HZ   LYS  39          3HZ       LYS  39  -3.476  -6.666  16.139
  321    H    SER  40           H        SER  40  -7.771  -5.791  14.802
  322    HA   SER  40           HA       SER  40  -9.077  -4.106  16.601
  323   1HB   SER  40          2HB       SER  40  -6.599  -3.772  17.280
  324   2HB   SER  40          1HB       SER  40  -6.458  -2.869  15.772
  325    HG   SER  40           HG       SER  40  -7.025  -1.651  17.748
  326    H    THR  41           H        THR  41  -9.568  -5.164  14.079
  327    HA   THR  41           HA       THR  41  -9.892  -2.702  12.511
  328    HB   THR  41           HB       THR  41  -9.424  -4.040  10.435
  329    HG1  THR  41           1HG      THR  41  -8.272  -5.883  12.251
  330   1HG2  THR  41          1HG2      THR  41  -7.214  -3.637  12.422
  331   2HG2  THR  41          2HG2      THR  41  -7.677  -2.602  11.071
  332   3HG2  THR  41          3HG2      THR  41  -6.932  -4.170  10.764
  333    H    ALA  42           H        ALA  42 -11.954  -2.397  12.042
  334    HA   ALA  42           HA       ALA  42 -13.906  -4.468  12.437
  335   1HB   ALA  42          1HB       ALA  42 -15.361  -2.776  12.584
  336   2HB   ALA  42          2HB       ALA  42 -14.860  -2.104  11.033
  337   3HB   ALA  42          3HB       ALA  42 -13.961  -1.706  12.497
  338    H    ASN  43           H        ASN  43 -13.064  -2.436   9.656
  339    HA   ASN  43           HA       ASN  43 -13.118  -4.683   7.869
  340   1HB   ASN  43          2HB       ASN  43 -15.548  -3.640   8.216
  341   2HB   ASN  43          1HB       ASN  43 -14.946  -2.482   7.034
  342   1HD2  ASN  43          1HD2      ASN  43 -15.562  -2.963   5.068
  343   2HD2  ASN  43          2HD2      ASN  43 -15.718  -4.549   4.402
  344    H    LYS  44           H        LYS  44 -10.999  -3.245   8.512
  345    HA   LYS  44           HA       LYS  44 -10.630  -1.336   6.299
  346   1HB   LYS  44          2HB       LYS  44  -8.747  -1.396   8.603
  347   2HB   LYS  44          1HB       LYS  44  -9.291  -0.035   7.631
  348   1HG   LYS  44          2HG       LYS  44 -11.186   0.283   8.883
  349   2HG   LYS  44          1HG       LYS  44 -11.255  -1.401   9.410
  350   1HD   LYS  44          2HD       LYS  44  -9.345  -1.036  10.875
  351   2HD   LYS  44          1HD       LYS  44  -9.211   0.631  10.314
  352   1HE   LYS  44          2HE       LYS  44 -10.979   1.331  11.549
  353   2HE   LYS  44          1HE       LYS  44 -11.844  -0.195  11.370
  354   1HZ   LYS  44          1HZ       LYS  44 -10.949  -1.014  13.239
  355   2HZ   LYS  44          2HZ       LYS  44 -10.654   0.606  13.628
  356   3HZ   LYS  44          3HZ       LYS  44  -9.424  -0.338  12.952
  357    H    TYR  45           H        TYR  45  -8.949  -1.539   4.926
  358    HA   TYR  45           HA       TYR  45  -7.481  -4.077   4.998
  359   1HB   TYR  45          2HB       TYR  45  -7.776  -2.008   2.803
  360   2HB   TYR  45          1HB       TYR  45  -6.876  -3.512   2.653
  361    HD1  TYR  45           1HD      TYR  45  -7.978  -5.549   2.157
  362    HD2  TYR  45           2HD      TYR  45 -10.260  -2.094   3.132
  363    HE1  TYR  45           1HE      TYR  45 -10.027  -6.706   1.439
  364    HE2  TYR  45           2HE      TYR  45 -12.313  -3.241   2.417
  365    HH   TYR  45           HH       TYR  45 -12.371  -5.922   0.557
  366    H    GLN  46           H        GLN  46  -5.181  -4.116   4.596
  367    HA   GLN  46           HA       GLN  46  -3.816  -1.772   5.714
  368   1HB   GLN  46          2HB       GLN  46  -3.302  -4.670   5.703
  369   2HB   GLN  46          1HB       GLN  46  -1.875  -3.692   5.388
  370   1HG   GLN  46          2HG       GLN  46  -1.919  -2.709   7.467
  371   2HG   GLN  46          1HG       GLN  46  -3.640  -3.019   7.694
  372   1HE2  GLN  46          1HE2      GLN  46  -1.202  -3.640   9.322
  373   2HE2  GLN  46          2HE2      GLN  46  -1.320  -5.331   9.656
  374    H    VAL  47           H        VAL  47  -3.329  -0.348   4.183
  375    HA   VAL  47           HA       VAL  47  -2.502  -1.288   1.544
  376    HB   VAL  47           HB       VAL  47  -3.274   1.484   2.462
  377   1HG1  VAL  47          1HG1      VAL  47  -2.041   0.507   0.019
  378   2HG1  VAL  47          2HG1      VAL  47  -2.247   2.160   0.602
  379   3HG1  VAL  47          3HG1      VAL  47  -3.552   1.365  -0.281
  380   1HG2  VAL  47          1HG2      VAL  47  -5.275   0.975   0.942
  381   2HG2  VAL  47          2HG2      VAL  47  -5.237   0.223   2.537
  382   3HG2  VAL  47          3HG2      VAL  47  -4.799  -0.716   1.109
  383    H    PHE  48           H        PHE  48  -0.622  -0.741   0.582
  384    HA   PHE  48           HA       PHE  48   1.460   0.383   2.333
  385   1HB   PHE  48          2HB       PHE  48   1.635  -1.989   1.261
  386   2HB   PHE  48          1HB       PHE  48   2.038  -1.108  -0.210
  387    HD1  PHE  48           1HD      PHE  48   2.949  -0.763   3.393
  388    HD2  PHE  48           2HD      PHE  48   4.290  -1.112  -0.631
  389    HE1  PHE  48           1HE      PHE  48   5.274  -0.535   4.156
  390    HE2  PHE  48           2HE      PHE  48   6.621  -0.887   0.121
  391    HZ   PHE  48           HZ       PHE  48   7.117  -0.597   2.518
  392    H    PHE  49           H        PHE  49   2.145   2.345   1.901
  393    HA   PHE  49           HA       PHE  49   1.474   3.621  -0.640
  394   1HB   PHE  49          2HB       PHE  49   2.594   4.838   1.896
  395   2HB   PHE  49          1HB       PHE  49   2.005   5.717   0.488
  396    HD1  PHE  49           1HD      PHE  49   1.127   4.120   3.578
  397    HD2  PHE  49           2HD      PHE  49  -0.426   5.535  -0.120
  398    HE1  PHE  49           1HE      PHE  49  -1.141   4.094   4.527
  399    HE2  PHE  49           2HE      PHE  49  -2.693   5.525   0.825
  400    HZ   PHE  49           HZ       PHE  49  -3.055   4.799   3.150
  401    H    PHE  50           H        PHE  50   2.979   3.376  -2.192
  402    HA   PHE  50           HA       PHE  50   5.645   2.648  -1.775
  403   1HB   PHE  50          2HB       PHE  50   4.260   3.942  -4.124
  404   2HB   PHE  50          1HB       PHE  50   5.962   3.496  -4.167
  405    HD1  PHE  50           1HD      PHE  50   2.716   2.423  -4.883
  406    HD2  PHE  50           2HD      PHE  50   6.456   1.014  -3.421
  407    HE1  PHE  50           1HE      PHE  50   2.092   0.126  -5.505
  408    HE2  PHE  50           2HE      PHE  50   5.840  -1.283  -4.047
  409    HZ   PHE  50           HZ       PHE  50   3.655  -1.730  -5.089
  410    H    GLY  51           H        GLY  51   7.435   4.149  -2.935
  411   1HA   GLY  51          2HA       GLY  51   8.737   6.043  -2.793
  412   2HA   GLY  51          1HA       GLY  51   7.276   6.945  -2.414
  413    H    THR  52           H        THR  52   6.404   6.336  -0.122
  414    HA   THR  52           HA       THR  52   8.597   6.852   1.732
  415    HB   THR  52           HB       THR  52   6.850   7.437   3.330
  416    HG1  THR  52           1HG      THR  52   5.004   6.721   1.302
  417   1HG2  THR  52          1HG2      THR  52   6.542   9.448   2.460
  418   2HG2  THR  52          2HG2      THR  52   5.582   8.803   1.127
  419   3HG2  THR  52          3HG2      THR  52   7.341   8.849   1.006
  420    H    HIS  53           H        HIS  53   6.452   4.323   0.787
  421    HA   HIS  53           HA       HIS  53   6.248   2.152   1.419
  422   1HB   HIS  53          2HB       HIS  53   8.830   2.808   2.834
  423   2HB   HIS  53          1HB       HIS  53   8.104   1.206   2.890
  424    HD1  HIS  53           1HD      HIS  53  10.333   0.411   1.672
  425    HD2  HIS  53           2HD      HIS  53   7.846   2.885  -0.554
  426    HE1  HIS  53           1HE      HIS  53  11.097   0.164  -0.710
  427    HE2  HIS  53           2HE      HIS  53   9.510   1.589  -2.051
  428    H    GLU  54           H        GLU  54   4.845   4.172   2.814
  429    HA   GLU  54           HA       GLU  54   4.849   3.307   5.612
  430   1HB   GLU  54          2HB       GLU  54   3.131   5.433   4.324
  431   2HB   GLU  54          1HB       GLU  54   3.410   5.187   6.043
  432   1HG   GLU  54          2HG       GLU  54   5.586   6.012   5.931
  433   2HG   GLU  54          1HG       GLU  54   5.671   5.815   4.182
  434    H    THR  55           H        THR  55   2.818   2.671   6.661
  435    HA   THR  55           HA       THR  55   0.850   1.590   4.781
  436    HB   THR  55           HB       THR  55   2.536  -0.131   5.652
  437    HG1  THR  55           1HG      THR  55   0.858  -1.069   4.742
  438   1HG2  THR  55          1HG2      THR  55   0.923  -0.786   7.922
  439   2HG2  THR  55          2HG2      THR  55   1.678   0.794   8.127
  440   3HG2  THR  55          3HG2      THR  55   2.674  -0.623   7.792
  441    H    ALA  56           H        ALA  56  -1.228   1.326   5.506
  442    HA   ALA  56           HA       ALA  56  -1.970   2.208   8.165
  443   1HB   ALA  56          1HB       ALA  56  -3.340   3.742   6.036
  444   2HB   ALA  56          2HB       ALA  56  -1.684   4.207   6.426
  445   3HB   ALA  56          3HB       ALA  56  -2.920   4.210   7.685
  446    H    PHE  57           H        PHE  57  -4.457   2.236   8.363
  447    HA   PHE  57           HA       PHE  57  -5.472  -0.068   6.862
  448   1HB   PHE  57          2HB       PHE  57  -6.180   1.010   9.588
  449   2HB   PHE  57          1HB       PHE  57  -7.150  -0.209   8.767
  450    HD1  PHE  57           1HD      PHE  57  -3.728   0.477  10.029
  451    HD2  PHE  57           2HD      PHE  57  -6.599  -2.463   8.921
  452    HE1  PHE  57           1HE      PHE  57  -2.267  -1.284  10.931
  453    HE2  PHE  57           2HE      PHE  57  -5.141  -4.230   9.820
  454    HZ   PHE  57           HZ       PHE  57  -2.972  -3.642  10.828
  455    H    LEU  58           H        LEU  58  -6.165   1.108   5.054
  456    HA   LEU  58           HA       LEU  58  -8.258   3.101   5.506
  457   1HB   LEU  58          2HB       LEU  58  -6.318   2.555   3.371
  458   2HB   LEU  58          1HB       LEU  58  -7.916   2.991   2.795
  459    HG   LEU  58           HG       LEU  58  -6.924   4.760   4.906
  460   1HD1  LEU  58          1HD1      LEU  58  -5.488   5.921   3.030
  461   2HD1  LEU  58          2HD1      LEU  58  -5.310   4.261   2.460
  462   3HD1  LEU  58          3HD1      LEU  58  -4.793   4.694   4.090
  463   1HD2  LEU  58          1HD2      LEU  58  -8.946   5.103   3.480
  464   2HD2  LEU  58          2HD2      LEU  58  -7.866   5.348   2.107
  465   3HD2  LEU  58          3HD2      LEU  58  -7.814   6.455   3.479
  466    H    GLY  59           H        GLY  59 -10.243   3.015   4.274
  467   1HA   GLY  59          2HA       GLY  59 -11.223   0.273   4.077
  468   2HA   GLY  59          1HA       GLY  59 -12.205   1.730   4.098
  469    HA   PRO  60           HA       PRO  60 -11.555   0.025  -0.300
  470   1HB   PRO  60          2HB       PRO  60 -14.125  -0.758  -0.762
  471   2HB   PRO  60          1HB       PRO  60 -12.884  -1.836  -0.114
  472   1HG   PRO  60          2HG       PRO  60 -15.030  -0.332   1.332
  473   2HG   PRO  60          1HG       PRO  60 -14.480  -2.002   1.568
  474   1HD   PRO  60          2HD       PRO  60 -13.703   0.016   3.188
  475   2HD   PRO  60          1HD       PRO  60 -12.641  -1.354   2.806
  476    H    LYS  61           H        LYS  61 -13.818   2.094   1.352
  477    HA   LYS  61           HA       LYS  61 -14.984   3.311  -0.926
  478   1HB   LYS  61          2HB       LYS  61 -15.541   5.161   0.707
  479   2HB   LYS  61          1HB       LYS  61 -16.124   3.560   1.144
  480   1HG   LYS  61          2HG       LYS  61 -15.125   3.751   3.104
  481   2HG   LYS  61          1HG       LYS  61 -13.563   3.837   2.289
  482   1HD   LYS  61          2HD       LYS  61 -13.701   5.780   3.627
  483   2HD   LYS  61          1HD       LYS  61 -14.020   6.311   1.973
  484   1HE   LYS  61          2HE       LYS  61 -16.335   6.503   2.373
  485   2HE   LYS  61          1HE       LYS  61 -16.228   5.599   3.883
  486   1HZ   LYS  61          1HZ       LYS  61 -14.673   7.562   4.549
  487   2HZ   LYS  61          2HZ       LYS  61 -16.352   7.734   4.648
  488   3HZ   LYS  61          3HZ       LYS  61 -15.511   8.392   3.336
  489    H    ASP  62           H        ASP  62 -11.999   3.744   0.781
  490    HA   ASP  62           HA       ASP  62 -11.404   6.186  -0.732
  491   1HB   ASP  62          2HB       ASP  62 -10.065   4.906   1.653
  492   2HB   ASP  62          1HB       ASP  62  -9.376   6.275   0.785
  493    H    LEU  63           H        LEU  63 -11.324   3.146  -1.503
  494    HA   LEU  63           HA       LEU  63  -8.586   3.132  -2.570
  495   1HB   LEU  63          2HB       LEU  63 -10.417   1.047  -1.582
  496   2HB   LEU  63          1HB       LEU  63  -9.565   0.630  -3.055
  497    HG   LEU  63           HG       LEU  63  -7.432   0.927  -1.975
  498   1HD1  LEU  63          1HD1      LEU  63  -8.468   2.778  -0.430
  499   2HD1  LEU  63          2HD1      LEU  63  -7.074   1.835   0.094
  500   3HD1  LEU  63          3HD1      LEU  63  -8.686   1.421   0.676
  501   1HD2  LEU  63          1HD2      LEU  63  -7.960  -0.691   0.086
  502   2HD2  LEU  63          2HD2      LEU  63  -7.939  -1.239  -1.590
  503   3HD2  LEU  63          3HD2      LEU  63  -9.472  -0.855  -0.808
  504    H    PHE  64           H        PHE  64  -8.236   3.054  -4.732
  505    HA   PHE  64           HA       PHE  64 -10.545   2.716  -6.519
  506   1HB   PHE  64          2HB       PHE  64  -8.469   4.882  -6.908
  507   2HB   PHE  64          1HB       PHE  64  -9.952   4.641  -7.826
  508    HD1  PHE  64           1HD      PHE  64  -8.880   5.195  -4.291
  509    HD2  PHE  64           2HD      PHE  64 -11.722   6.013  -7.351
  510    HE1  PHE  64           1HE      PHE  64 -10.065   6.729  -2.776
  511    HE2  PHE  64           2HE      PHE  64 -12.911   7.550  -5.842
  512    HZ   PHE  64           HZ       PHE  64 -12.082   7.909  -3.551
  513    HA   PRO  65           HA       PRO  65  -7.785   0.229  -8.898
  514   1HB   PRO  65          2HB       PRO  65  -8.888   1.150 -11.424
  515   2HB   PRO  65          1HB       PRO  65  -9.102  -0.403 -10.624
  516   1HG   PRO  65          2HG       PRO  65 -11.100   1.431 -10.892
  517   2HG   PRO  65          1HG       PRO  65 -11.021   0.255  -9.568
  518   1HD   PRO  65          2HD       PRO  65 -10.299   3.158  -9.576
  519   2HD   PRO  65          1HD       PRO  65 -11.099   2.195  -8.315
  520    H    TYR  66           H        TYR  66  -5.725   0.857  -8.930
  521    HA   TYR  66           HA       TYR  66  -4.611   3.269  -9.487
  522   1HB   TYR  66          2HB       TYR  66  -3.325   1.473  -8.527
  523   2HB   TYR  66          1HB       TYR  66  -3.463   0.523 -10.002
  524    HD1  TYR  66           1HD      TYR  66  -1.889   0.752 -11.729
  525    HD2  TYR  66           2HD      TYR  66  -2.004   3.635  -8.603
  526    HE1  TYR  66           1HE      TYR  66   0.206   1.723 -12.563
  527    HE2  TYR  66           2HE      TYR  66   0.099   4.615  -9.427
  528    HH   TYR  66           HH       TYR  66   2.045   3.073 -11.799
  529    H    GLU  67           H        GLU  67  -4.749   0.615 -11.867
  530    HA   GLU  67           HA       GLU  67  -3.697   1.949 -14.037
  531   1HB   GLU  67          2HB       GLU  67  -5.869  -0.148 -13.992
  532   2HB   GLU  67          1HB       GLU  67  -5.018   0.360 -15.444
  533   1HG   GLU  67          2HG       GLU  67  -3.741  -1.425 -14.942
  534   2HG   GLU  67          1HG       GLU  67  -2.916  -0.248 -13.922
  535    H    GLU  68           H        GLU  68  -7.021   1.977 -12.887
  536    HA   GLU  68           HA       GLU  68  -8.096   3.425 -15.073
  537   1HB   GLU  68          2HB       GLU  68  -9.053   2.519 -12.437
  538   2HB   GLU  68          1HB       GLU  68  -9.876   3.917 -13.106
  539   1HG   GLU  68          2HG       GLU  68  -9.479   1.638 -14.933
  540   2HG   GLU  68          1HG       GLU  68 -10.609   1.396 -13.601
  541    H    SER  69           H        SER  69  -6.848   4.434 -11.912
  542    HA   SER  69           HA       SER  69  -7.412   7.220 -12.681
  543   1HB   SER  69          2HB       SER  69  -6.759   6.064  -9.963
  544   2HB   SER  69          1HB       SER  69  -7.096   7.763 -10.297
  545    HG   SER  69           HG       SER  69  -9.181   7.171 -10.941
  546    H    LYS  70           H        LYS  70  -4.991   5.264 -13.242
  547    HA   LYS  70           HA       LYS  70  -2.713   6.321 -12.055
  548   1HB   LYS  70          2HB       LYS  70  -3.201   4.344 -13.826
  549   2HB   LYS  70          1HB       LYS  70  -2.478   5.542 -14.892
  550   1HG   LYS  70          2HG       LYS  70  -0.527   5.655 -13.408
  551   2HG   LYS  70          1HG       LYS  70  -1.258   4.416 -12.389
  552   1HD   LYS  70          2HD       LYS  70   0.402   3.462 -13.919
  553   2HD   LYS  70          1HD       LYS  70  -1.215   2.839 -14.247
  554   1HE   LYS  70          2HE       LYS  70  -1.169   3.621 -16.331
  555   2HE   LYS  70          1HE       LYS  70  -0.703   5.230 -15.778
  556   1HZ   LYS  70          1HZ       LYS  70   1.370   3.180 -15.771
  557   2HZ   LYS  70          2HZ       LYS  70   1.476   4.825 -16.149
  558   3HZ   LYS  70          3HZ       LYS  70   0.857   3.736 -17.285
  559    H    GLU  71           H        GLU  71  -4.258   7.263 -15.117
  560    HA   GLU  71           HA       GLU  71  -2.409   9.339 -15.684
  561   1HB   GLU  71          2HB       GLU  71  -5.185   8.783 -16.728
  562   2HB   GLU  71          1HB       GLU  71  -4.154  10.067 -17.344
  563   1HG   GLU  71          2HG       GLU  71  -3.203   7.232 -17.280
  564   2HG   GLU  71          1HG       GLU  71  -4.224   7.823 -18.591
  565    H    LYS  72           H        LYS  72  -5.292   9.188 -13.747
  566    HA   LYS  72           HA       LYS  72  -5.645  12.057 -13.673
  567   1HB   LYS  72          2HB       LYS  72  -6.996   9.807 -12.181
  568   2HB   LYS  72          1HB       LYS  72  -7.421  11.502 -11.991
  569   1HG   LYS  72          2HG       LYS  72  -8.244  11.658 -14.175
  570   2HG   LYS  72          1HG       LYS  72  -7.460  10.155 -14.667
  571   1HD   LYS  72          2HD       LYS  72  -9.385   9.117 -14.242
  572   2HD   LYS  72          1HD       LYS  72  -9.105   9.442 -12.531
  573   1HE   LYS  72          2HE       LYS  72 -10.168  11.749 -13.058
  574   2HE   LYS  72          1HE       LYS  72 -10.797  10.942 -14.493
  575   1HZ   LYS  72          1HZ       LYS  72 -12.264   9.777 -13.289
  576   2HZ   LYS  72          2HZ       LYS  72 -12.018  10.963 -12.109
  577   3HZ   LYS  72          3HZ       LYS  72 -11.184   9.496 -12.018
  578    H    PHE  73           H        PHE  73  -4.639   9.531 -11.378
  579    HA   PHE  73           HA       PHE  73  -3.839  11.618  -9.479
  580   1HB   PHE  73          2HB       PHE  73  -3.836   8.642  -8.999
  581   2HB   PHE  73          1HB       PHE  73  -3.810   9.930  -7.803
  582    HD1  PHE  73           1HD      PHE  73  -5.710   7.688  -7.671
  583    HD2  PHE  73           2HD      PHE  73  -6.020  11.441  -9.655
  584    HE1  PHE  73           1HE      PHE  73  -8.162   7.570  -7.507
  585    HE2  PHE  73           2HE      PHE  73  -8.470  11.328  -9.494
  586    HZ   PHE  73           HZ       PHE  73  -9.545   9.392  -8.417
  587    H    GLY  74           H        GLY  74  -2.411   9.602 -11.827
  588   1HA   GLY  74          2HA       GLY  74   0.106   9.271 -10.464
  589   2HA   GLY  74          1HA       GLY  74  -0.238   8.860 -12.135
  590    H    LYS  75           H        LYS  75   0.236  11.686 -10.014
  591    HA   LYS  75           HA       LYS  75   2.000  12.847 -12.006
  592   1HB   LYS  75          2HB       LYS  75  -0.418  14.334 -10.962
  593   2HB   LYS  75          1HB       LYS  75   0.838  15.010 -11.989
  594   1HG   LYS  75          2HG       LYS  75   0.101  12.954 -13.525
  595   2HG   LYS  75          1HG       LYS  75  -1.417  13.230 -12.668
  596   1HD   LYS  75          2HD       LYS  75  -1.018  15.718 -13.287
  597   2HD   LYS  75          1HD       LYS  75   0.091  15.063 -14.493
  598   1HE   LYS  75          2HE       LYS  75  -1.577  14.319 -15.794
  599   2HE   LYS  75          1HE       LYS  75  -2.507  13.721 -14.421
  600   1HZ   LYS  75          1HZ       LYS  75  -3.804  15.496 -14.515
  601   2HZ   LYS  75          2HZ       LYS  75  -3.014  15.980 -15.929
  602   3HZ   LYS  75          3HZ       LYS  75  -2.483  16.551 -14.428
  603    HA   PRO  76           HA       PRO  76   4.438  14.130  -8.579
  604   1HB   PRO  76          2HB       PRO  76   4.416  16.863  -9.775
  605   2HB   PRO  76          1HB       PRO  76   5.785  15.870  -9.260
  606   1HG   PRO  76          2HG       PRO  76   5.203  16.145 -11.844
  607   2HG   PRO  76          1HG       PRO  76   5.755  14.590 -11.193
  608   1HD   PRO  76          2HD       PRO  76   3.015  15.443 -12.002
  609   2HD   PRO  76          1HD       PRO  76   3.788  13.850 -12.131
  610    H    ASN  77           H        ASN  77   4.338  15.256  -6.626
  611    HA   ASN  77           HA       ASN  77   2.000  17.000  -6.221
  612   1HB   ASN  77          2HB       ASN  77   1.491  14.631  -5.536
  613   2HB   ASN  77          1HB       ASN  77   2.746  14.782  -4.310
  614   1HD2  ASN  77          1HD2      ASN  77   0.144  16.904  -5.464
  615   2HD2  ASN  77          2HD2      ASN  77  -0.548  17.183  -3.906
  616    H    LYS  78           H        LYS  78   2.067  18.184  -4.151
  617    HA   LYS  78           HA       LYS  78   4.702  19.276  -3.747
  618   1HB   LYS  78          2HB       LYS  78   1.967  20.119  -3.296
  619   2HB   LYS  78          1HB       LYS  78   2.967  20.442  -1.888
  620   1HG   LYS  78          2HG       LYS  78   2.975  22.371  -3.295
  621   2HG   LYS  78          1HG       LYS  78   4.573  21.624  -3.361
  622   1HD   LYS  78          2HD       LYS  78   4.310  20.934  -5.531
  623   2HD   LYS  78          1HD       LYS  78   2.554  20.827  -5.397
  624   1HE   LYS  78          2HE       LYS  78   2.334  23.206  -5.514
  625   2HE   LYS  78          1HE       LYS  78   4.079  23.424  -5.402
  626   1HZ   LYS  78          1HZ       LYS  78   2.905  21.881  -7.622
  627   2HZ   LYS  78          2HZ       LYS  78   4.394  22.679  -7.553
  628   3HZ   LYS  78          3HZ       LYS  78   2.964  23.570  -7.690
  629    H    ARG  79           H        ARG  79   2.792  16.863  -2.265
  630    HA   ARG  79           HA       ARG  79   3.640  17.112   0.406
  631   1HB   ARG  79          2HB       ARG  79   2.499  14.900  -1.248
  632   2HB   ARG  79          1HB       ARG  79   3.158  14.525   0.338
  633   1HG   ARG  79          2HG       ARG  79   1.060  16.627  -0.121
  634   2HG   ARG  79          1HG       ARG  79   0.691  14.944   0.265
  635   1HD   ARG  79          2HD       ARG  79   2.303  16.853   1.953
  636   2HD   ARG  79          1HD       ARG  79   0.652  16.323   2.271
  637    HE   ARG  79           HE       ARG  79   1.986  13.996   2.180
  638   1HH1  ARG  79          1HH1      ARG  79   2.614  16.976   3.889
  639   2HH1  ARG  79          2HH1      ARG  79   3.412  16.193   5.210
  640   1HH2  ARG  79          1HH2      ARG  79   3.034  12.970   3.920
  641   2HH2  ARG  79          2HH2      ARG  79   3.651  13.922   5.229
  642    H    LYS  80           H        LYS  80   5.290  16.201  -2.393
  643    HA   LYS  80           HA       LYS  80   7.382  15.451  -2.803
  644   1HB   LYS  80          2HB       LYS  80   7.769  16.052   0.134
  645   2HB   LYS  80          1HB       LYS  80   9.067  15.653  -0.984
  646   1HG   LYS  80          2HG       LYS  80   7.359  18.111  -0.888
  647   2HG   LYS  80          1HG       LYS  80   9.117  17.976  -0.853
  648   1HD   LYS  80          2HD       LYS  80   7.374  17.313  -3.236
  649   2HD   LYS  80          1HD       LYS  80   8.260  18.825  -3.014
  650   1HE   LYS  80          2HE       LYS  80  10.162  16.841  -2.605
  651   2HE   LYS  80          1HE       LYS  80   9.196  16.253  -3.958
  652   1HZ   LYS  80          1HZ       LYS  80  11.236  17.958  -4.203
  653   2HZ   LYS  80          2HZ       LYS  80   9.945  19.047  -4.102
  654   3HZ   LYS  80          3HZ       LYS  80   9.956  17.858  -5.306
  655    H    GLY  81           H        GLY  81   8.386  13.513  -2.941
  656   1HA   GLY  81          2HA       GLY  81   8.914  11.303  -2.317
  657   2HA   GLY  81          1HA       GLY  81   7.813  11.453  -0.952
  658    H    PHE  82           H        PHE  82   5.845  12.654  -3.035
  659    HA   PHE  82           HA       PHE  82   4.244  10.401  -3.399
  660   1HB   PHE  82          2HB       PHE  82   3.403  12.704  -3.450
  661   2HB   PHE  82          1HB       PHE  82   4.282  13.004  -4.946
  662    HD1  PHE  82           1HD      PHE  82   3.637  11.725  -7.004
  663    HD2  PHE  82           2HD      PHE  82   1.278  11.740  -3.464
  664    HE1  PHE  82           1HE      PHE  82   1.697  10.952  -8.301
  665    HE2  PHE  82           2HE      PHE  82  -0.666  10.966  -4.750
  666    HZ   PHE  82           HZ       PHE  82  -0.461  10.567  -7.170
  667    H    SER  83           H        SER  83   6.177  12.170  -5.812
  668    HA   SER  83           HA       SER  83   5.740  10.513  -7.985
  669   1HB   SER  83          2HB       SER  83   8.383  11.860  -7.434
  670   2HB   SER  83          1HB       SER  83   7.654  11.499  -8.998
  671    HG   SER  83           HG       SER  83   7.123  13.565  -7.218
  672    H    GLU  84           H        GLU  84   8.279  10.267  -5.506
  673    HA   GLU  84           HA       GLU  84   9.767   8.186  -6.509
  674   1HB   GLU  84          2HB       GLU  84   9.422   9.446  -3.976
  675   2HB   GLU  84          1HB       GLU  84   9.425   7.708  -3.717
  676   1HG   GLU  84          2HG       GLU  84  11.657   8.629  -3.503
  677   2HG   GLU  84          1HG       GLU  84  11.557   7.524  -4.873
  678    H    GLY  85           H        GLY  85   6.586   8.102  -5.062
  679   1HA   GLY  85          2HA       GLY  85   6.483   5.266  -4.738
  680   2HA   GLY  85          1HA       GLY  85   5.115   6.371  -4.689
  681    H    LEU  86           H        LEU  86   5.700   7.496  -7.326
  682    HA   LEU  86           HA       LEU  86   4.127   5.782  -8.900
  683   1HB   LEU  86          2HB       LEU  86   5.816   8.183  -9.476
  684   2HB   LEU  86          1HB       LEU  86   5.164   7.255 -10.811
  685    HG   LEU  86           HG       LEU  86   3.474   8.461  -8.622
  686   1HD1  LEU  86          1HD1      LEU  86   4.326   9.525 -11.291
  687   2HD1  LEU  86          2HD1      LEU  86   4.337  10.326  -9.720
  688   3HD1  LEU  86          3HD1      LEU  86   2.808  10.023 -10.544
  689   1HD2  LEU  86          1HD2      LEU  86   2.836   6.427 -10.282
  690   2HD2  LEU  86          2HD2      LEU  86   2.355   7.811 -11.264
  691   3HD2  LEU  86          3HD2      LEU  86   1.672   7.592  -9.652
  692    H    TRP  87           H        TRP  87   7.625   6.313  -8.795
  693    HA   TRP  87           HA       TRP  87   8.302   4.624 -10.948
  694   1HB   TRP  87          2HB       TRP  87   9.900   6.233 -10.092
  695   2HB   TRP  87          1HB       TRP  87   9.897   5.460  -8.509
  696    HD1  TRP  87           HD       TRP  87  11.484   5.245 -11.925
  697    HE1  TRP  87           1HE      TRP  87  13.250   3.375 -11.936
  698    HE3  TRP  87           3HE      TRP  87  10.420   3.102  -7.409
  699    HZ2  TRP  87           2HZ      TRP  87  14.076   1.259 -10.253
  700    HZ3  TRP  87           3HZ      TRP  87  11.741   1.159  -6.684
  701    HH2  TRP  87           HH       TRP  87  13.530   0.256  -8.077
  702    H    GLU  88           H        GLU  88   8.091   3.996  -7.442
  703    HA   GLU  88           HA       GLU  88   9.006   1.343  -7.525
  704   1HB   GLU  88          2HB       GLU  88   7.485   3.011  -5.589
  705   2HB   GLU  88          1HB       GLU  88   7.430   1.267  -5.365
  706   1HG   GLU  88          2HG       GLU  88   9.263   1.643  -4.130
  707   2HG   GLU  88          1HG       GLU  88  10.071   1.599  -5.697
  708    H    ILE  89           H        ILE  89   5.652   2.583  -7.489
  709    HA   ILE  89           HA       ILE  89   4.321   0.172  -7.515
  710    HB   ILE  89           HB       ILE  89   3.274   2.410  -7.280
  711   1HG1  ILE  89          2HG1      ILE  89   1.554   1.432  -9.368
  712   2HG1  ILE  89          1HG1      ILE  89   2.232   0.077  -8.468
  713   1HG2  ILE  89          1HG2      ILE  89   2.489   3.329  -9.614
  714   2HG2  ILE  89          2HG2      ILE  89   3.989   2.579 -10.158
  715   3HG2  ILE  89          3HG2      ILE  89   4.026   3.815  -8.901
  716   1HD1  ILE  89          1HD1      ILE  89   0.208   1.986  -7.695
  717   2HD1  ILE  89          2HD1      ILE  89   1.510   1.871  -6.508
  718   3HD1  ILE  89          3HD1      ILE  89   0.624   0.423  -6.988
  719    H    GLU  90           H        GLU  90   6.094   1.683 -10.082
  720    HA   GLU  90           HA       GLU  90   4.998  -0.186 -12.051
  721   1HB   GLU  90          2HB       GLU  90   5.972   2.505 -12.165
  722   2HB   GLU  90          1HB       GLU  90   6.920   1.504 -13.255
  723   1HG   GLU  90          2HG       GLU  90   5.267   1.384 -14.727
  724   2HG   GLU  90          1HG       GLU  90   4.096   0.939 -13.485
  725    H    ASN  91           H        ASN  91   8.137   0.824 -10.715
  726    HA   ASN  91           HA       ASN  91   9.557  -1.174 -12.217
  727   1HB   ASN  91          2HB       ASN  91  10.238   1.130 -10.609
  728   2HB   ASN  91          1HB       ASN  91  11.243  -0.249 -10.177
  729   1HD2  ASN  91          1HD2      ASN  91  10.512   2.121 -12.543
  730   2HD2  ASN  91          2HD2      ASN  91  11.763   1.710 -13.662
  731    H    ASN  92           H        ASN  92   8.281  -0.895  -8.959
  732    HA   ASN  92           HA       ASN  92   8.695  -3.724  -8.568
  733   1HB   ASN  92          2HB       ASN  92  10.505  -1.789  -7.429
  734   2HB   ASN  92          1HB       ASN  92   9.647  -2.643  -6.149
  735   1HD2  ASN  92          1HD2      ASN  92  10.612  -4.396  -5.461
  736   2HD2  ASN  92          2HD2      ASN  92  11.659  -5.417  -6.379
  737    HA   PRO  93           HA       PRO  93   4.843  -2.204  -6.617
  738   1HB   PRO  93          2HB       PRO  93   3.222  -4.124  -7.548
  739   2HB   PRO  93          1HB       PRO  93   3.720  -2.761  -8.559
  740   1HG   PRO  93          2HG       PRO  93   4.770  -5.564  -8.502
  741   2HG   PRO  93          1HG       PRO  93   4.421  -4.527  -9.898
  742   1HD   PRO  93          2HD       PRO  93   6.933  -4.910  -8.852
  743   2HD   PRO  93          1HD       PRO  93   6.445  -3.469  -9.766
  744    H    THR  94           H        THR  94   6.667  -5.103  -6.359
  745    HA   THR  94           HA       THR  94   5.041  -6.028  -4.100
  746    HB   THR  94           HB       THR  94   6.101  -8.157  -4.335
  747    HG1  THR  94           1HG      THR  94   7.846  -8.489  -5.655
  748   1HG2  THR  94          1HG2      THR  94   4.631  -8.479  -5.974
  749   2HG2  THR  94          2HG2      THR  94   6.009  -8.286  -7.057
  750   3HG2  THR  94          3HG2      THR  94   4.961  -6.910  -6.707
  751    H    VAL  95           H        VAL  95   7.295  -3.839  -4.327
  752    HA   VAL  95           HA       VAL  95   9.416  -4.721  -2.689
  753    HB   VAL  95           HB       VAL  95   9.570  -2.715  -4.107
  754   1HG1  VAL  95          1HG1      VAL  95   7.250  -1.922  -2.558
  755   2HG1  VAL  95          2HG1      VAL  95   7.851  -1.298  -4.094
  756   3HG1  VAL  95          3HG1      VAL  95   8.497  -0.674  -2.577
  757   1HG2  VAL  95          1HG2      VAL  95   9.981  -1.800  -1.288
  758   2HG2  VAL  95          2HG2      VAL  95  10.998  -1.542  -2.705
  759   3HG2  VAL  95          3HG2      VAL  95  10.929  -3.133  -1.945
  760    H    LYS  96           H        LYS  96   9.849  -4.333  -0.498
  761    HA   LYS  96           HA       LYS  96   7.566  -3.539   1.167
  762   1HB   LYS  96          2HB       LYS  96   8.773  -6.170   0.996
  763   2HB   LYS  96          1HB       LYS  96   8.879  -5.527   2.629
  764   1HG   LYS  96          2HG       LYS  96   6.270  -4.985   1.771
  765   2HG   LYS  96          1HG       LYS  96   6.622  -6.633   1.245
  766   1HD   LYS  96          2HD       LYS  96   5.861  -7.048   3.363
  767   2HD   LYS  96          1HD       LYS  96   7.582  -6.840   3.695
  768   1HE   LYS  96          2HE       LYS  96   6.486  -4.268   3.785
  769   2HE   LYS  96          1HE       LYS  96   5.332  -5.299   4.629
  770   1HZ   LYS  96          1HZ       LYS  96   7.590  -4.247   5.700
  771   2HZ   LYS  96          2HZ       LYS  96   8.060  -5.833   5.350
  772   3HZ   LYS  96          3HZ       LYS  96   6.718  -5.549   6.338
  773    H    ALA  97           H        ALA  97   8.237  -3.127   3.464
  774    HA   ALA  97           HA       ALA  97  10.599  -1.461   3.446
  775   1HB   ALA  97          1HB       ALA  97   8.370  -1.916   5.397
  776   2HB   ALA  97          2HB       ALA  97   8.811  -0.443   4.534
  777   3HB   ALA  97          3HB       ALA  97   9.818  -1.022   5.861
  778    H    SER  98           H        SER  98  11.830  -1.513   5.702
  779    HA   SER  98           HA       SER  98  13.397  -2.577   6.961
  780   1HB   SER  98          2HB       SER  98  11.700  -5.064   6.812
  781   2HB   SER  98          1HB       SER  98  12.749  -4.530   8.125
  782    HG   SER  98           HG       SER  98  11.252  -2.707   8.320
  783    H    GLY  99           H        GLY  99  15.021  -4.340   6.958
  784   1HA   GLY  99          2HA       GLY  99  15.471  -6.349   5.259
  785   2HA   GLY  99          1HA       GLY  99  15.742  -4.966   4.210
  786    H    TYR 100           H        TYR 100  16.924  -6.785   6.937
  787    HA   TYR 100           HA       TYR 100  19.469  -5.311   6.747
  788   1HB   TYR 100          2HB       TYR 100  18.092  -6.459   9.173
  789   2HB   TYR 100          1HB       TYR 100  19.800  -6.035   9.169
  790    HD1  TYR 100           1HD      TYR 100  16.389  -4.771   9.224
  791    HD2  TYR 100           2HD      TYR 100  20.495  -3.689   8.981
  792    HE1  TYR 100           1HE      TYR 100  15.803  -2.450   9.776
  793    HE2  TYR 100           2HE      TYR 100  19.921  -1.365   9.534
  794    HH   TYR 100           HH       TYR 100  17.578  -0.331  10.946
  795    H    GLN 101           H        GLN 101  20.602  -6.644   5.425
  796    HA   GLN 101           HA       GLN 101  20.489  -9.477   5.537
  797   1HB   GLN 101          2HB       GLN 101  21.998  -7.440   4.050
  798   2HB   GLN 101          1HB       GLN 101  22.882  -8.936   4.316
  799   1HG   GLN 101          2HG       GLN 101  20.664 -10.036   3.462
  800   2HG   GLN 101          1HG       GLN 101  20.411  -8.449   2.737
  801   1HE2  GLN 101          1HE2      GLN 101  21.529  -7.894   0.952
  802   2HE2  GLN 101          2HE2      GLN 101  22.681  -8.912   0.166
  803    H    SER 102           H        SER 102  22.623  -7.067   6.961
  804    HA   SER 102           HA       SER 102  24.054  -9.220   8.369
  805   1HB   SER 102          2HB       SER 102  25.592  -7.041   8.836
  806   2HB   SER 102          1HB       SER 102  25.814  -8.108   7.449
  807    HG   SER 102           HG       SER 102  25.529  -5.653   7.197
  808    H    SER 103           H        SER 103  22.684  -9.512  10.100
  809    HA   SER 103           HA       SER 103  22.722  -7.367  12.082
  810   1HB   SER 103          2HB       SER 103  20.377  -7.481  12.544
  811   2HB   SER 103          1HB       SER 103  20.540  -7.271  10.800
  812    HG   SER 103           HG       SER 103  19.044  -8.972  11.645
  813    H    GLN 104           H        GLN 104  23.253  -8.109  14.033
  814    HA   GLN 104           HA       GLN 104  23.745  -9.523  15.744
  815   1HB   GLN 104          2HB       GLN 104  21.192 -10.411  14.704
  816   2HB   GLN 104          1HB       GLN 104  22.106 -11.764  15.358
  817   1HG   GLN 104          2HG       GLN 104  20.733 -10.888  17.090
  818   2HG   GLN 104          1HG       GLN 104  22.407 -10.470  17.456
  819   1HE2  GLN 104          1HE2      GLN 104  19.293  -9.277  16.498
  820   2HE2  GLN 104          2HE2      GLN 104  19.629  -7.601  16.748
  821    H    LYS 105           H        LYS 105  25.660 -10.479  15.680
  822    HA   LYS 105           HA       LYS 105  27.350 -11.916  15.177
  823   1HB   LYS 105          2HB       LYS 105  25.635 -13.590  15.856
  824   2HB   LYS 105          1HB       LYS 105  25.145 -13.724  14.174
  825   1HG   LYS 105          2HG       LYS 105  28.009 -14.112  14.605
  826   2HG   LYS 105          1HG       LYS 105  26.987 -15.302  15.414
  827   1HD   LYS 105          2HD       LYS 105  26.673 -14.574  12.509
  828   2HD   LYS 105          1HD       LYS 105  27.720 -15.882  13.063
  829   1HE   LYS 105          2HE       LYS 105  25.161 -16.149  14.303
  830   2HE   LYS 105          1HE       LYS 105  24.937 -15.952  12.566
  831   1HZ   LYS 105          1HZ       LYS 105  26.864 -17.891  13.704
  832   2HZ   LYS 105          2HZ       LYS 105  26.261 -17.823  12.126
  833   3HZ   LYS 105          3HZ       LYS 105  25.250 -18.293  13.397
  834    H    LYS 106           H        LYS 106  28.514 -10.958  13.602
  835    HA   LYS 106           HA       LYS 106  27.651 -10.556  10.951
  836   1HB   LYS 106          2HB       LYS 106  30.173 -10.266  12.453
  837   2HB   LYS 106          1HB       LYS 106  30.362 -10.524  10.724
  838   1HG   LYS 106          2HG       LYS 106  30.322  -8.190  11.063
  839   2HG   LYS 106          1HG       LYS 106  28.756  -8.623  10.371
  840   1HD   LYS 106          2HD       LYS 106  27.959  -7.365  12.066
  841   2HD   LYS 106          1HD       LYS 106  28.199  -8.843  13.002
  842   1HE   LYS 106          2HE       LYS 106  29.145  -6.971  14.195
  843   2HE   LYS 106          1HE       LYS 106  30.439  -8.035  13.646
  844   1HZ   LYS 106          1HZ       LYS 106  31.266  -6.469  12.293
  845   2HZ   LYS 106          2HZ       LYS 106  30.423  -5.390  13.285
  846   3HZ   LYS 106          3HZ       LYS 106  29.745  -5.896  11.821
  847    H    SER 107           H        SER 107  28.409 -11.552   9.004
  848    HA   SER 107           HA       SER 107  29.037 -14.407   9.364
  849   1HB   SER 107          2HB       SER 107  26.959 -13.142   7.913
  850   2HB   SER 107          1HB       SER 107  28.062 -13.828   6.722
  851    HG   SER 107           HG       SER 107  27.911 -15.807   8.031
  852    H    CYS 108           H        CYS 108  29.983 -15.273   7.122
  853    HA   CYS 108           HA       CYS 108  31.698 -13.578   5.656
  854   1HB   CYS 108          2HB       CYS 108  33.869 -14.546   6.567
  855   2HB   CYS 108          1HB       CYS 108  33.060 -13.356   7.581
  856    HG   CYS 108           HG       CYS 108  32.770 -15.041   9.348
  857    H    ALA 109           H        ALA 109  29.841 -15.687   5.173
  858    HA   ALA 109           HA       ALA 109  29.571 -17.523   3.856
  859   1HB   ALA 109          1HB       ALA 109  30.661 -16.738   2.040
  860   2HB   ALA 109          2HB       ALA 109  31.812 -18.007   2.455
  861   3HB   ALA 109          3HB       ALA 109  32.119 -16.342   2.949
  862    H    GLU 110           H        GLU 110  29.337 -19.246   5.164
  863    HA   GLU 110           HA       GLU 110  31.782 -20.604   6.092
  864   1HB   GLU 110          2HB       GLU 110  30.276 -19.745   7.887
  865   2HB   GLU 110          1HB       GLU 110  29.008 -20.800   7.277
  866   1HG   GLU 110          2HG       GLU 110  31.575 -22.103   7.889
  867   2HG   GLU 110          1HG       GLU 110  30.684 -21.459   9.267